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Sample records for cementitious systems multiscale

  1. A multi-scale approach of mechanical and transport properties of cementitious materials under rises of temperature

    International Nuclear Information System (INIS)

    Caratini, G.

    2012-01-01

    The modern industrial activities (storage of nuclear waste, geothermal wells, nuclear power plants,...) can submit cementitious materials to some extreme conditions, for example at temperatures above 200 C. This level of temperature will induce phenomena of dehydration in the cement paste, particularly impacting the CSH hydrates which led to the mechanical cohesion. The effects of these temperatures on the mechanical and transport properties have been the subject of this thesis.To understand these effects, we need to take into account the heterogeneous, porous, multi-scale aspects of these materials. To do this, micro-mechanics and homogenization tools based on the Eshelby problem's solution were used. Moreover, to support this multi-scale modeling, mechanical testing based on the theory of porous media were conducted. The measurements of modulus compressibility, permeability and porosity under confining pressure were used to investigate the mechanisms of degradation of these materials during thermal loads up to 400 C. (author)

  2. Effect of hybrid fiber reinforcement on the cracking process in fiber reinforced cementitious composites

    DEFF Research Database (Denmark)

    Pereira, Eduardo B.; Fischer, Gregor; Barros, Joaquim A.O.

    2012-01-01

    The simultaneous use of different types of fibers as reinforcement in cementitious matrix composites is typically motivated by the underlying principle of a multi-scale nature of the cracking processes in fiber reinforced cementitious composites. It has been hypothesized that while undergoing...... tensile deformations in the composite, the fibers with different geometrical and mechanical properties restrain the propagation and further development of cracking at different scales from the micro- to the macro-scale. The optimized design of the fiber reinforcing systems requires the objective...... materials is carried out by assessing directly their tensile stress-crack opening behavior. The efficiency of hybrid fiber reinforcements and the multi-scale nature of cracking processes are discussed based on the experimental results obtained, as well as the micro-mechanisms underlying the contribution...

  3. Hybrid fiber reinforcement and crack formation in Cementitious Composite Materials

    DEFF Research Database (Denmark)

    Pereira, E.B.; Fischer, Gregor; Barros, J.A.O.

    2011-01-01

    reinforcement systems. The research described in this paper shows that the multi-scale conception of cracking and the use of hybrid fiber reinforcements do not necessarily result in an improved tensile behavior of the composite. Particular material design requirements may nevertheless justify the use of hybrid......- to the macroscale. In this study, the performance of different fiber reinforced cementitious composites is assessed in terms of their tensile stress-crack opening behavior. The results obtained from this investigation allow a direct quantitative comparison of the behavior obtained from the different fiber...

  4. Numerical estimation of transport properties of cementitious materials using 3D digital images

    NARCIS (Netherlands)

    Ukrainczyk, N.; Koenders, E.A.B.; Van Breugel, K.

    2012-01-01

    A multi-scale characterisation of the transport process within cementitious microstructure possesses a great challenge in terms of modelling and schematization. In this paper a numerical method is proposed to mitigate the resolution problems in numerical methods for calculating effective transport

  5. Review of high and ultrahigh performance cementitious composites incorporating various combinations of fibers and ultrafines

    Directory of Open Access Journals (Sweden)

    M.I. Khan

    2017-10-01

    Full Text Available The outcomes of the research in modern cementitious composites have paved the way for their wide use in construction industry. The introduction of short, discontinuous and randomly distributed fibers to these composites has altered their inherent brittleness. Extensive research has been carried out on the effects of using of mono-fibers in a cementitious composite. However, limited reports in the approachable references on the use of hybrid fibers are available. The synergetic interaction between hybrid fibers have beneficial impact on cementitious composites. The incorporation of micro- and nano-pozzolanic materials, such as fly ash and silica fume have been used to develop high performance cementitious composites such as reactive powder concrete, DUCTAL and CEMTEC multiscale. Further developments were recently achieved by the development of ultra-high performance cementitious composites. The matter of developing high and ultrahigh cementitious composites using various kinds of fibers and particles has received enormous attention from the scientific community. This paper presents a comprehensive critical literature review on the area of high and ultra-high performance cement-based materials.

  6. Thin fiber and textile reinforced cementitious systems

    National Research Council Canada - National Science Library

    Aldea, Corina-Maria

    2007-01-01

    This Special Publication (SP) contains ten papers which provide insight on the topics of state of the art of thin fiber and textile-reinforced cementitious systems both in academia and the industry...

  7. Multiscale Modeling of Fracture Processes in Cementitious Materials

    NARCIS (Netherlands)

    Qian, Z.

    2012-01-01

    Concrete is a composite construction material, which is composed primarily of coarse aggregates, sands and cement paste. The fracture processes in concrete are complicated, because of the multiscale and multiphase nature of the material. In the past decades, comprehensive effort has been put to

  8. Chemical evolution of cementitious materials

    International Nuclear Information System (INIS)

    Lothenbach, Barbara; Wieland, Erich

    2012-01-01

    Barbara Lothenback of EMPA, Switzerland gave an overview of the status of thermodynamic modelling for cementitious systems. Thermodynamic modelling of cementitious systems has been greatly facilitated in recent years by the development of more sophisticated geochemical software, of solid solution models for various cement phases, and by the collection of thermodynamic data for minerals relevant to cementitious systems over a wide range of temperature (0 to 100 deg. C). Based on these developments, thermodynamic modelling, coupled with kinetic equations that describe the dissolution of clinker as a function of time, can be used to: - Quantify the liquid and solid phase compositions of ordinary Portland cement and blended cements during the hydration process. - Evaluate compositional changes that occur in cementitious materials due to the use of various aggregates and other mineral additives (e.g. silica fume and blast furnace slag). - Predict degradation of cement in contact with the repository environment. Discussion of the paper included: What is our understanding of where aluminium resides in low-pH cements and what is our ability to model the behaviour of aluminium in these systems? The location of aluminium in low-pH cements depends on the overall Ca/Si ratio of the system and on the pH, but some aluminium enters the CSH gel as a CASH gel phase. The Swiss disposal programme is currently conducting some experiments to investigate this topic

  9. Multiscale System Theory

    Science.gov (United States)

    1990-02-21

    LIDS-P-1953 Multiscale System Theory Albert Benveniste IRISA-INRIA, Campus de Beaulieu 35042 RENNES CEDEX, FRANCE Ramine Nikoukhah INRIA...TITLE AND SUBTITLE Multiscale System Theory 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e...the development of a corresponding system theory and a theory of stochastic processes and their estimation. The research presented in this and several

  10. Performance of alusilica as mineral admixture in cementitious systems

    DEFF Research Database (Denmark)

    Chi, Lin; Jensen, Ole Mejlhede

    2016-01-01

    This paper presents a preliminary study of the effect of alusilica (ALS) as a mineral admixture on the fresh properties and development of mechanical properties of cementitious systems. Cement was substituted with ALS with the ratio of 10% during grinding or blended during mixing. The produced ALS...

  11. A new system for crack closure of cementitious materials using shrinkable polymers

    International Nuclear Information System (INIS)

    Jefferson, Anthony; Joseph, Christopher; Lark, Robert; Isaacs, Ben; Dunn, Simon; Weager, Brendon

    2010-01-01

    This paper presents details of an original crack-closure system for cementitious materials using shrinkable polymer tendons. The system involves the incorporation of unbonded pre-oriented polymer tendons in cementitious beams. Crack closure is achieved by thermally activating the shrinkage mechanism of the restrained polymer tendons after the cement-based material has undergone initial curing. The feasibility of the system is demonstrated in a series of small scale experiments on pre-cracked prismatic mortar specimens. The results from these tests show that, upon activation, the polymer tendon completely closes the preformed macro-cracks and imparts a significant stress across the crack faces. The potential of the system to enhance the natural autogenous crack healing process and generally improve the durability of concrete structures is addressed.

  12. Corrosion aspects of steel radioactive waste containers in cementitious materials

    International Nuclear Information System (INIS)

    Smart, Nick

    2012-01-01

    Nick Smart from Serco, UK, gave an overview of the effects of cementitious materials on the corrosion of steel during storage and disposal of various low- and intermediate-level radioactive wastes. Steel containers are often used as an overpack for the containment of radioactive wastes and are routinely stored in an open atmosphere. Since this is an aerobic and typically humid environment, the steel containers can start to corrode whilst in storage. Steel containers often come into contact with cementitious materials (e.g. grout encapsulants, backfill). An extensive account of different steel container designs and of steel corrosion mechanisms was provided. Steel corrosion rates under conditions buffered by cementitious materials have been evaluated experimentally. The main conclusion was that the cementitious environment generally facilitates the passivation of steel materials. Several general and localised corrosion mechanisms need to be considered when evaluating the performance of steel containers in cementitious environments, and environmental thresholds can be defined and used with this aim. In addition, the consequences of the generation of gaseous hydrogen by the corrosion of carbon steel under anoxic conditions must be taken into account. Discussion of the paper included: Is crevice corrosion really significant in cementitious systems? Crevice corrosion is unlikely in the cementitious backfill considered because it will tend to neutralise any acidic conditions in the crevice. What is the role of microbially-induced corrosion (MIC) in cementitious systems? Microbes are likely to be present in a disposal facility but their effect on corrosion is uncertain

  13. Temporary Cementitious Sealers in Enhanced Geothermal Systems

    Energy Technology Data Exchange (ETDEWEB)

    Sugama T.; Pyatina, T.; Butcher, T.; Brothers, L.; Bour, D.

    2011-12-31

    Unlike conventional hydrothennal geothermal technology that utilizes hot water as the energy conversion resources tapped from natural hydrothermal reservoir located at {approx}10 km below the ground surface, Enhanced Geothermal System (EGS) must create a hydrothermal reservoir in a hot rock stratum at temperatures {ge}200 C, present in {approx}5 km deep underground by employing hydraulic fracturing. This is the process of initiating and propagating a fracture as well as opening pre-existing fractures in a rock layer. In this operation, a considerable attention is paid to the pre-existing fractures and pressure-generated ones made in the underground foundation during drilling and logging. These fractures in terms of lost circulation zones often cause the wastage of a substantial amount of the circulated water-based drilling fluid or mud. Thus, such lost circulation zones must be plugged by sealing materials, so that the drilling operation can resume and continue. Next, one important consideration is the fact that the sealers must be disintegrated by highly pressured water to reopen the plugged fractures and to promote the propagation of reopened fractures. In response to this need, the objective of this phase I project in FYs 2009-2011 was to develop temporary cementitious fracture sealing materials possessing self-degradable properties generating when {ge} 200 C-heated scalers came in contact with water. At BNL, we formulated two types of non-Portland cementitious systems using inexpensive industrial by-products with pozzolanic properties, such as granulated blast-furnace slag from the steel industries, and fly ashes from coal-combustion power plants. These byproducts were activated by sodium silicate to initiate their pozzolanic reactions, and to create a cemetitious structure. One developed system was sodium silicate alkali-activated slag/Class C fly ash (AASC); the other was sodium silicate alkali-activated slag/Class F fly ash (AASF) as the binder of temper

  14. The Cementitious Barriers Partnership (CBP) Software Toolbox Capabilities In Assessing The Degradation Of Cementitious Barriers

    Energy Technology Data Exchange (ETDEWEB)

    Flach, G. P. [Savannah River Site (SRS), Aiken, SC (United States); Burns, H. H. [Savannah River Site (SRS), Aiken, SC (United States); Langton, C. [Savannah River Site (SRS), Aiken, SC (United States); Smith, F. G. III [Savannah River Site (SRS), Aiken, SC (United States); Brown, K. G. [Vanderbilt University, Nashville, TN (United States); Kosson, D. S. [Vanderbilt University, Nashville, TN (United States); Garrabrants, A. C. [Vanderbilt University, Nashville, TN (United States); Sarkar, S. [Vanderbilt University, Nashville, TN (United States); van der Sloot, H. [Hans van der Sloot Consultancy (The Netherlands); Meeussen, J. C.L. [Nuclear Research and Consultancy Group, Petten (The Netherlands); Samson, E. [SIMCO Technologies Inc. , 1400, boul. du Parc - Technologique , Suite 203, Quebec (Canada); Mallick, P. [United States Department of Energy, 1000 Independence Ave. SW , Washington, DC (United States); Suttora, L. [United States Department of Energy, 1000 Independence Ave. SW , Washington, DC (United States); Esh, D. W. [U .S. Nuclear Regulatory Commission , Washington, DC (United States); Fuhrmann, M. J. [U .S. Nuclear Regulatory Commission , Washington, DC (United States); Philip, J. [U .S. Nuclear Regulatory Commission , Washington, DC (United States)

    2013-01-11

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy (US DOE) Office of Tank Waste and Nuclear Materials Management. The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that help improve understanding and predictions of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program have been used to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to 100 years and longer for operating facilities and longer than 1000 years for waste disposal. The CBP Software Toolbox has produced tangible benefits to the DOE Performance Assessment (PA) community. A review of prior DOE PAs has provided a list of potential opportunities for improving cementitious barrier performance predictions through the use of the CBP software tools. These opportunities include: 1) impact of atmospheric exposure to concrete and grout before closure, such as accelerated slag and Tc-99 oxidation, 2) prediction of changes in Kd/mobility as a function of time that result from changing pH and redox conditions, 3) concrete degradation from rebar corrosion due to carbonation, 4) early age cracking from drying and/or thermal shrinkage and 5) degradation due to sulfate attack. The CBP has already had opportunity to provide near-term, tangible support to ongoing DOE-EM PAs such as the Savannah River Saltstone Disposal Facility (SDF) by providing a sulfate attack analysis that predicts the extent and damage that sulfate ingress will have on the concrete vaults over extended time (i.e., > 1000 years). This analysis is one of the many technical opportunities in cementitious barrier performance that can be addressed by the DOE-EM sponsored CBP software

  15. Community effort endorsing multiscale modelling, multiscale data science and multiscale computing for systems medicine.

    Science.gov (United States)

    Zanin, Massimiliano; Chorbev, Ivan; Stres, Blaz; Stalidzans, Egils; Vera, Julio; Tieri, Paolo; Castiglione, Filippo; Groen, Derek; Zheng, Huiru; Baumbach, Jan; Schmid, Johannes A; Basilio, José; Klimek, Peter; Debeljak, Nataša; Rozman, Damjana; Schmidt, Harald H H W

    2017-12-05

    Systems medicine holds many promises, but has so far provided only a limited number of proofs of principle. To address this road block, possible barriers and challenges of translating systems medicine into clinical practice need to be identified and addressed. The members of the European Cooperation in Science and Technology (COST) Action CA15120 Open Multiscale Systems Medicine (OpenMultiMed) wish to engage the scientific community of systems medicine and multiscale modelling, data science and computing, to provide their feedback in a structured manner. This will result in follow-up white papers and open access resources to accelerate the clinical translation of systems medicine. © The Author 2017. Published by Oxford University Press.

  16. The Cementitious Barriers Partnership (CBP) Software Toolbox Capabilities in Assessing the Degradation of Cementitious Barriers - 13487

    Energy Technology Data Exchange (ETDEWEB)

    Flach, G.P.; Burns, H.H.; Langton, C.; Smith, F.G. III [Savannah River National Laboratory, Savannah River Site, Aiken SC 29808 (United States); Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.; Sarkar, S. [Vanderbilt University, Nashville, TN (United States); Van der Sloot, H. [Hans Van der Sloot Consultancy (Netherlands); Meeussen, J.C.L. [Nuclear Research and Consultancy Group, Petten (Netherlands); Samson, E. [SIMCO Technologies Inc., 1400, boul. du Parc-Technologique, Suite 203, Quebec (Canada); Mallick, P.; Suttora, L. [United States Department of Energy, 1000 Independence Ave. SW, Washington, DC (United States); Esh, D.W.; Fuhrmann, M.J.; Philip, J. [U.S. Nuclear Regulatory Commission, Washington, DC (United States)

    2013-07-01

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy (US DOE) Office of Tank Waste and Nuclear Materials Management. The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that help improve understanding and predictions of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program have been used to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to 100 years and longer for operating facilities and longer than 1000 years for waste disposal. The CBP Software Toolbox has produced tangible benefits to the DOE Performance Assessment (PA) community. A review of prior DOE PAs has provided a list of potential opportunities for improving cementitious barrier performance predictions through the use of the CBP software tools. These opportunities include: 1) impact of atmospheric exposure to concrete and grout before closure, such as accelerated slag and Tc-99 oxidation, 2) prediction of changes in K{sub d}/mobility as a function of time that result from changing pH and redox conditions, 3) concrete degradation from rebar corrosion due to carbonation, 4) early age cracking from drying and/or thermal shrinkage and 5) degradation due to sulfate attack. The CBP has already had opportunity to provide near-term, tangible support to ongoing DOE-EM PAs such as the Savannah River Saltstone Disposal Facility (SDF) by providing a sulfate attack analysis that predicts the extent and damage that sulfate ingress will have on the concrete vaults over extended time (i.e., > 1000 years). This analysis is one of the many technical opportunities in cementitious barrier performance that can be addressed by the DOE-EM sponsored CBP

  17. OCRWM Science and Technology Program Cementitious Materials Technologies

    International Nuclear Information System (INIS)

    DOE

    2004-01-01

    This potential project will develop and test cost effective cementitious materials for construction of Yucca Mountain (YM) inverts, drift liners, and bulkheads. These high silica cementitious materials will be designed to buffer the pH and Eh of the groundwater, to slow corrosion of waste packages (WP), and to retard radionuclide migration. While being compatible with YM repository systems, these materials are expected to be less expensive to produce, and as strong, and more durable than ordinary Portland Cement (OPC). Therefore, building out the repository with these cementitious materials may significantly reduce these costs and reduce uncertainty in short-( 10,000 yr) repository performance. Both laboratory development and natural analog studies are anticipated using a unique combination of expertise at ORNL, UT, UC Berkeley, and Minatom to develop and test high-silica hydraulic, cementitious binders for use at YM. The major tasks of this project are to (1) formulate and make candidate cementitious materials using high-silica hydraulic hinders, (2) measure the physical and chemical properties of these materials, (3) expose combinations of these materials and WP materials to static and flowing YM groundwater at temperatures consistent with the expected repository conditions, (4) examine specimens of both the cementitious materials and WP materials periodically for chemical and mineralogical changes to determine reaction mechanisms and kinetics, and (5) predict the long-term performance of the material by thermodynamic and transport modeling and by comparisons with natural analogs

  18. An alternative approach to the management of reactive metals: tolerant cementitious systems

    International Nuclear Information System (INIS)

    Swift, P.; Cox, J.; Wise, M.; McKinney, J.; Rhodes, C.

    2015-01-01

    In recent years research has focused on preventing or minimising corrosion of reactive metals to ensure long-term waste package integrity. An alternative approach to the encapsulation of reactive metals is being explored. The approach will identify a cementitious-based encapsulating material that will allow corrosion of reactive metals to occur in a controlled and predictable manner, rather than seeking to limit or prevent the corrosion, whilst retaining waste package integrity. A low strength grout will be developed that will be 'tolerant' to the expansive forces generated by the corrosion products of reactive metals. Novel cementitious systems (e.g. foamed cements, rubber composite cements, cenosphere composite cements, lime mortars, bentonite cements etc.) that may be tolerant to potentially expansive waste products, such as reactive metals will be considered and assessed in a series of small-scale preliminary trials (compressive strength, porosity, permeability, pore solution pH, etc.)

  19. Glass science tutorial: Lecture No. 8, introduction cementitious systems for Low-Level Waste immobilization

    International Nuclear Information System (INIS)

    Young, J.F.; Kirkpatrick, R.J.; Mason, T.O.; Brough, A.

    1995-07-01

    This report presents details about cementitious systems for low-level waste immobilization. Topics discussed include: composition and properties of portland cement; hydration properties; microstructure of concrete; pozzolans; slags; zeolites; transport properties; and geological aspects of long-term durability of concrete

  20. Glass science tutorial: Lecture No. 8, introduction cementitious systems for Low-Level Waste immobilization

    Energy Technology Data Exchange (ETDEWEB)

    Young, J.F.; Kirkpatrick, R.J.; Mason, T.O.; Brough, A.

    1995-07-01

    This report presents details about cementitious systems for low-level waste immobilization. Topics discussed include: composition and properties of portland cement; hydration properties; microstructure of concrete; pozzolans; slags; zeolites; transport properties; and geological aspects of long-term durability of concrete.

  1. Carbonation of ternary cementitious concrete systems containing fly ash and silica fume

    Directory of Open Access Journals (Sweden)

    Eehab Ahmed Badreldin Khalil

    2015-04-01

    Full Text Available Carbonation is quite a complex physical negative effect phenomenon on concrete especially in the ones containing ternary blends of Portland Cement, fly ash, and silica fume. Nine selected concrete mixtures were prepared with various water to cementitious materials’ ratios and various cementitious contents. The concrete mixtures were adapted in such a way to have the same workability and air content. The fresh concrete properties were kept near identical in slump, air content, and unit weight. The variation was in the hardened concrete mechanical properties of compression and tension strength. The carbonation phenomenon was studied for these mixes showing at which mixes of ternary cementitious content heavy carbonation attacks maybe produced. The main components of such mixes that do affect the carbonation process with time were presented.

  2. Cementitious materials for radioactive waste management within IAEA coordinated research project - 59021

    International Nuclear Information System (INIS)

    Drace, Zoran; Ojovan, Michael I.

    2012-01-01

    The IAEA Coordinated Research Project (CRP) on cementitious materials for radioactive waste management was launched in 2007 [1, 2]. The objective of CRP was to investigate the behaviour and performance of cementitious materials used in radioactive waste management system with various purposes and included waste packages, waste-forms and backfills as well as investigation of interactions and interdependencies of these individual elements during long term storage and disposal. The specific research topics considered were: (i) cementitious materials for radioactive waste packaging: including radioactive waste immobilization into a solid waste form, (ii) waste backfilling and containers; (iii) emerging and alternative cementitious systems; (iv) physical-chemical processes occurring during the hydration and ageing of cement matrices and their influence on the cement matrix quality; (v) methods of production of cementitious materials for: immobilization into wasteform, backfills and containers; (vi) conditions envisaged in the disposal environment for packages (physical and chemical conditions, temperature variations, groundwater, radiation fields); (vii) testing and non-destructive monitoring techniques for quality assurance of cementitious materials; (viii) waste acceptance criteria for waste packages, waste forms and backfills; transport, long term storage and disposal requirements;and finally (ix) modelling or simulation of long term behaviours of cementations materials used for packaging, waste immobilization and backfilling, especially in the post-closure phase. The CRP has gathered overall 26 research organizations from 22 Member States aiming to share their research and practices on the use of cementitious materials [2]. The main research outcomes of the CRP were summarized in a summary report currently under preparation to be published by IAEA. The generic topical sections covered by report are: a) conventional cementitious systems; b) novel cementitious

  3. Microphysics in Multi-scale Modeling System with Unified Physics

    Science.gov (United States)

    Tao, Wei-Kuo

    2012-01-01

    Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the microphysics development and its performance for the multi-scale modeling system will be presented.

  4. Modeling of Cementitious Representative Volume Element with Additives

    Science.gov (United States)

    Shahzamanian, M. M.; Basirun, W. J.

    CEMHYD3D has been employed to simulate the representative volume element (RVE) of cementitious systems (Type I cement) containing fly ash (Class F) through a voxel-based finite element analysis (FEA) approach. Three-dimensional microstructures composed of voxels are generated for a heterogeneous cementitious material consisting of various constituent phases. The primary focus is to simulate a cementitious RVE containing fly ash and to present the homogenized macromechanical properties obtained from its analysis. Simple kinematic uniform boundary conditions as well as periodic boundary conditions were imposed on the RVE to obtain the principal and shear moduli. Our current work considers the effect of fly ash percentage on the elastic properties based on the mass and volume replacements. RVEs with lengths of 50, 100 and 200μm at different degrees of hydration are generated, and the elastic properties are modeled and simulated. In general, the elastic properties of a cementitious RVE with fly ash replacement for cement based on mass and volume differ from each other. Moreover, the finite element (FE) mesh density effect is studied. Results indicate that mechanical properties decrease with increasing mesh density.

  5. Enhancement Experiment on Cementitious Activity of Copper-Mine Tailings in a Geopolymer System

    Directory of Open Access Journals (Sweden)

    Lin Yu

    2017-12-01

    Full Text Available Copper-mine tailings are the residual products after the extraction of precious copper metal from copper ores, and their storage can create numerous environmental problems. Many researchers have used copper-mine tailings for the preparation of geopolymers. This paper studies the enhancement of the cementitious activity of copper-mine tailings in geopolymer systems. First, copper-mine tailings are activated through mechanical grinding activation. Then, the mechanically activated copper-mine tailings are further processed through thermal activation and alkaline-roasting activation. The cementitious activity index of copper-mine tailings is characterized through the degree of leaching concentration of Si and Al. It was observed that the Si and Al leaching concentration of mechanically activated tailings was increased by 26.03% and 93.33%, respectively. The concentration of Si and Al was increased by 54.19% and 119.92%, respectively. For alkaline-roasting activation, roasting time, temperature and the mass ratio of copper-mine tailings to NaOH (C/N ratio were evaluated through orthogonal tests, and the best condition for activation was 120 min at 600 °C with a C/N ratio of 5:1. In this study, scanning electron microscopy (SEM, X-ray diffraction (XRD and infra-red (IR analysis show that mechanical, thermal and alkaline-roasting activation could be used to improve the cementitious activity index of copper-mine tailings.

  6. The Goddard multi-scale modeling system with unified physics

    Directory of Open Access Journals (Sweden)

    W.-K. Tao

    2009-08-01

    Full Text Available Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1 a cloud-resolving model (CRM, (2 a regional-scale model, the NASA unified Weather Research and Forecasting Model (WRF, and (3 a coupled CRM-GCM (general circulation model, known as the Goddard Multi-scale Modeling Framework or MMF. The same cloud-microphysical processes, long- and short-wave radiative transfer and land-surface processes are applied in all of the models to study explicit cloud-radiation and cloud-surface interactive processes in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator for comparison and validation with NASA high-resolution satellite data.

    This paper reviews the development and presents some applications of the multi-scale modeling system, including results from using the multi-scale modeling system to study the interactions between clouds, precipitation, and aerosols. In addition, use of the multi-satellite simulator to identify the strengths and weaknesses of the model-simulated precipitation processes will be discussed as well as future model developments and applications.

  7. A complete categorization of multiscale models of infectious disease systems.

    Science.gov (United States)

    Garira, Winston

    2017-12-01

    Modelling of infectious disease systems has entered a new era in which disease modellers are increasingly turning to multiscale modelling to extend traditional modelling frameworks into new application areas and to achieve higher levels of detail and accuracy in characterizing infectious disease systems. In this paper we present a categorization framework for categorizing multiscale models of infectious disease systems. The categorization framework consists of five integration frameworks and five criteria. We use the categorization framework to give a complete categorization of host-level immuno-epidemiological models (HL-IEMs). This categorization framework is also shown to be applicable in categorizing other types of multiscale models of infectious diseases beyond HL-IEMs through modifying the initial categorization framework presented in this study. Categorization of multiscale models of infectious disease systems in this way is useful in bringing some order to the discussion on the structure of these multiscale models.

  8. Multiscale characterization of chemical–mechanical interactions between polymer fibers and cementitious matrix

    Energy Technology Data Exchange (ETDEWEB)

    Hernández-Cruz, Daniel; Hargis, Craig W.; Bae, Sungchul; Itty, Pierre A.; Meral, Cagla; Dominowski, Jolee; Radler, Michael J.; Kilcoyne, David A.; Monteiro, Paulo J. M.

    2014-04-01

    Together with a series of mechanical tests, the interactions and potential bonding between polymeric fibers and cementitious materials were studied using scanning transmission X-ray microscopy (STXM) and microtomography (lCT). Experimental results showed that these techniques have great potential to characterize the polymer fiber-hydrated cement-paste matrix interface, as well as differentiating the chemistry of the two components of a bi-polymer (hybrid) fiber the polypropylene core and the ethylene acrylic acid copolymer sheath. Similarly, chemical interactions between the hybrid fiber and the cement hydration products were observed, indicating the chemical bonding between the sheath and the hardened cement paste matrix. Microtomography allowed visualization of the performance of the samples, and the distribution and orientation of the two types of fiber in mortar. Beam flexure tests confirmed improved tensile strength of mixes containing hybrid fibers, and expansion bar tests showed similar reductions in expansion for the polypropylene and hybrid fiber mortar bars.

  9. Multiscale integration schemes for jump-diffusion systems

    Energy Technology Data Exchange (ETDEWEB)

    Givon, D.; Kevrekidis, I.G.

    2008-12-09

    We study a two-time-scale system of jump-diffusion stochastic differential equations. We analyze a class of multiscale integration methods for these systems, which, in the spirit of [1], consist of a hybridization between a standard solver for the slow components and short runs for the fast dynamics, which are used to estimate the effect that the fast components have on the slow ones. We obtain explicit bounds for the discrepancy between the results of the multiscale integration method and the slow components of the original system.

  10. Self-degradable Cementitious Sealing Materials

    Energy Technology Data Exchange (ETDEWEB)

    Sugama, T.; Butcher, T., Lance Brothers, Bour, D.

    2010-10-01

    A self-degradable alkali-activated cementitious material consisting of a sodium silicate activator, slag, Class C fly ash, and sodium carboxymethyl cellulose (CMC) additive was formulated as one dry mix component, and we evaluated its potential in laboratory for use as a temporary sealing material for Enhanced Geothermal System (EGS) wells. The self-degradation of alkali-activated cementitious material (AACM) occurred, when AACM heated at temperatures of {ge}200 C came in contact with water. We interpreted the mechanism of this water-initiated self-degradation as resulting from the in-situ exothermic reactions between the reactants yielded from the dissolution of the non-reacted or partially reacted sodium silicate activator and the thermal degradation of the CMC. The magnitude of self-degradation depended on the CMC content; its effective content in promoting degradation was {ge}0.7%. In contrast, no self-degradation was observed from CMC-modified Class G well cement. For 200 C-autoclaved AACMs without CMC, followed by heating at temperatures up to 300 C, they had a compressive strength ranging from 5982 to 4945 psi, which is {approx}3.5-fold higher than that of the commercial Class G well cement; the initial- and final-setting times of this AACM slurry at 85 C were {approx}60 and {approx}90 min. Two well-formed crystalline hydration phases, 1.1 nm tobermorite and calcium silicate hydrate (I), were responsible for developing this excellent high compressive strength. Although CMC is an attractive, as a degradation-promoting additive, its addition to both the AACM and the Class G well cement altered some properties of original cementitious materials; among those were an extending their setting times, an increasing their porosity, and lowering their compressive strength. Nevertheless, a 0.7% CMC-modified AACM as self-degradable cementitious material displayed the following properties before its breakdown by water; {approx}120 min initial- and {approx}180 min final

  11. Ultrasonic assessment of early age property development in hydrating cementitious materials

    Science.gov (United States)

    Wang, Xiaojun

    The internal structure (microstructure) of cementitious materials, such as cement paste, mortar and concrete, evolves over time because of cement hydration. The microstructure of the cementitious phase plays a very important role in determining the strength, the mechanical properties and the long-term durability of cementitious materials. Therefore any understanding of the strength gain and the long-term durability of cementitious materials requires a proper assessment of the microstructure of its cementitious phase. Current methods for evaluating the microstructure of the cement are invasive and primarily laboratory-based. These methods are not conducive for studying the pore structure changes in the first few hours after casting since the changes in microstructure occur on a time scale that is an order of magnitude faster than the time required for sample preparation. The primary objective of the research presented in this thesis is to contribute towards advancing the current state-of-the-art in assessing the microstructure of cementitious systems. An ultrasonic wave reflection technique which allows for real-time assessment of the porosity and the elastic modulus of cementitious materials is developed. The test procedure for monitoring changes in the amplitude of horizontally polarized ultrasonic shear waves from the surface of hydrating cement paste is presented. A theoretical framework based on a poro-elastic idealization of the hydrating cementitious material is developed for interpreting the ultrasonic reflection data. The poro-elastic representation of hydrating cementitious material is shown to provide simultaneous, realistic estimates of porosity and shear modulus for hydrating cement paste and mortar through setting and early strength gain. The porosity predicted by the poro-elastic representation is identical to the capillary water content within the cement paste predicted by Powers' model. The shear modulus of the poro-elastic skeleton was compares

  12. Concrete with supplementary cementitious materials

    OpenAIRE

    Jensen, Ole M; Kovler, Konstantin; De Belie, Nele

    2016-01-01

    This volume contains the proceedings of the MSSCE 2016 conference segment on “Concrete with Supplementary Cementitious Materials” (SCM). The conference segment is organized by the RILEM technical committee TC 238-SCM: Hydration and microstructure of concrete with supplementary cementitious materials. TC 238-SCM started activities in 2011 and has about 50 members from all over the world. The main objective of the committee is to support the increasing utilisation of hydraulic...

  13. Thermal energy storage based on cementitious materials: A review

    Directory of Open Access Journals (Sweden)

    Khadim Ndiaye

    2018-01-01

    Full Text Available Renewable energy storage is now essential to enhance the energy performance of buildings and to reduce their environmental impact. Many heat storage materials can be used in the building sector in order to avoid the phase shift between solar radiation and thermal energy demand. However, the use of storage material in the building sector is hampered by problems of investment cost, space requirements, mechanical performance, material stability, and high storage temperature. Cementitious material is increasingly being used as a heat storage material thanks to its low price, mechanical performance and low storage temperature (generally lower than 100 °C. In addition, cementitious materials for heat storage have the prominent advantage of being easy to incorporate into the building landscape as self-supporting structures or even supporting structures (walls, floor, etc.. Concrete solutions for thermal energy storage are usually based on sensible heat transfer and thermal inertia. Phase Change Materials (PCM incorporated in concrete wall have been widely investigated in the aim of improving building energy performance. Cementitious material with high ettringite content stores heat by a combination of physical (adsorption and chemical (chemical reaction processes usable in both the short (daily, weekly and long (seasonal term. Ettringite materials have the advantage of high energy storage density at low temperature (around 60 °C. The encouraging experimental results in the literature on heat storage using cementitious materials suggest that they could be attractive in a number of applications. This paper summarizes the investigation and analysis of the available thermal energy storage systems using cementitious materials for use in various applications.

  14. Service life prediction and fibre reinforced cementitious composites

    DEFF Research Database (Denmark)

    Stoklund Larsen, E.

    The present Ph.D.thesis addresses the service life concept on the fibre reinforced cementitious composites. The advantages and problems of adding fibre to a cementitious matrix and the influence on service life are described. In SBI Report 221, Service life prediction and cementitious somposites......, the factors affecting the pure cementitious composite are described. Different sizes and types of fibre reinforced crmentitious composites have been chosen to illustrate different ageing and deterioration mechanisms. Some ageing mechanisms can be accelerated and others cannot which is demonstrated in a test...... programme. Moisture, micro structural and mechanical properties were measured before, during and after ageing, with the purpose of giving a detailed "picture" of the materials during ageing....

  15. Engineered cementitious composites with low volume of cementitious materials

    NARCIS (Netherlands)

    Zhou, J.; Quian, S.; Van Breugel, K.

    2010-01-01

    Engineered cementitious composite (ECC) is an ultra ductile cement-based material reinforced with fibers. It is characterized by high tensile ductility and tight crack width control. Thanks to the excellent performance, ECC is emerging in broad applications to enhance the loading capacity and the

  16. A poly-dispersed particle system representation of the porosity for non-saturated cementitious materials

    International Nuclear Information System (INIS)

    Bary, B.

    2006-01-01

    In this paper, the porosity of cementitious materials is described in terms of pore size distribution by means of a 3-dimensional overlapping sphere system with poly-dispersivity in size. On the basis of results established by Lu and Torquato [B. Lu, S. Torquato, Nearest-surface distribution functions for poly-dispersed particle systems, Phys. Rev. A 45(8) (1992) 5530-5544] and Torquato [S. Torquato, Random Heterogeneous Media: Microstructure and Macroscopic Properties. Springer-Verlag: New York, 2001] providing relations for nearest-neighbor distribution functions, the volume fraction of pores having a radius larger than a prescribed value is explicitly expressed. By adopting an appropriate size distribution function for the sphere system, it is shown that the pore size distribution of cementitious materials as detected for instance by mercury intrusion porosimetry (MIP), which generally points out several pore classes, can be well approached. On the basis of this porosity representation, the evaluation of the capillary pressure in function of the saturation degree is provided. The model is then applied to the simulation of the saturation degree versus relative humidity adsorption curves. The impact of the pore size distribution, the temperature and the thickness of the adsorbed water layer on these parameters are assessed and analyzed for three model materials having different pore characteristics. (author)

  17. Implications of cementitious evolution for solubility and retention of radionuclides over long timescales

    International Nuclear Information System (INIS)

    Williams, Steve; Norris, Simon

    2012-01-01

    Simon Norris of the NDA described the current status of understanding of radionuclide solubility and retention in cementitious materials based on experience in the United Kingdom. Cementitious materials play a number of roles in the long-term management and disposal of radioactive wastes. One of these roles is to contribute to the post-closure containment and retention of radionuclides within a disposal facility by imposing conditions that minimise radionuclide solubility and provide sites for radionuclide sorption. The chemical containment provided by the highly-alkaline, chemically reducing environment imposed by cementitious materials plays an important role in the long-term retention of many radionuclides. However, the mineralogy and other properties of cementitious materials that contribute to their physical and chemical barrier performance within the engineered barrier system will evolve due to several processes, including: - Leaching. - Reaction with groundwater solutes. - Hydration and crystallisation. - Reaction with wastes, their degradation products, and with non-cementitious waste forms. - Cracking. Some of these processes are better understood than others. For example, the evolution of pH within a homogeneous repository near field can be modelled based on knowledge of cement dissolution combined with expected groundwater compositions and flow rates. The calculated changes in pH can then be coupled to radionuclide solubility and sorption in safety assessment models. Other processes are not as well constrained. Reaction of cementitious materials with groundwater will lead to changes in the mineralogical composition of the cements, accompanied by changes in porosity and permeability, and cracking can lead to localised water flow along the cracks and preferential leaching or deposition of reaction products. These processes can also alter the sorption properties of the cementitious materials. Additional complexities result from the heterogeneous

  18. Disassembly Properties of Cementitious Finish Joints Using an Induction Heating Method

    Science.gov (United States)

    Ahn, Jaecheol; Noguchi, Takafumi; Kitagaki, Ryoma

    2015-01-01

    Efficient maintenance and upgrading of a building during its lifecycle are difficult because a cementitious finish uses materials and parts with low disassembly properties. Additionally, the reuse and recycling processes during building demolition also present numerous problems from the perspective of environmental technology. In this study, an induction heating (IH) method was used to disassemble cementitious finish joints, which are widely used to join building members and materials. The IH rapidly and selectively heated and weakened these joints. The temperature elevation characteristics of the cementitious joint materials were measured as a function of several resistor types, including wire meshes and punching metals, which are usually used for cementitious finishing. The disassembly properties were evaluated through various tests using conductive resistors in cementitious joints such as mortar. When steel fiber, punching metal, and wire mesh were used as conductive resistors, the cementitious modifiers could be weakened within 30 s. Cementitious joints with conductive resistors also showed complete disassembly with little residual bond strength.

  19. Non-cementitious compositions comprising vaterite and methods thereof

    Science.gov (United States)

    Devenney, Martin; Fernandez, Miguel; Morgan, Samuel O.

    2015-09-15

    Non-cementitious compositions and products are provided. The compositions of the invention include a carbonate additive comprising vaterite such as reactive vaterite. Additional aspects of the invention include methods of making and using the non-cementitious compositions and products.

  20. Review of durability of cementitious engineered barriers in repository environments

    International Nuclear Information System (INIS)

    Parrott, L.J.; Lawrence, C.D.

    1992-01-01

    This report is concerned with the durability of cementitious engineered barriers in a repository for low and intermediate level nuclear waste. Following the introduction the second section of the review identifies the environmental conditions associated with a deep, hard rock repository for ILW and LLW that are relevant to the durability of cementitious barriers. Section three examines the microstructure and macrostructure of cementitious materials and considers the physical and chemical processes of radionuclide immobilization. Potential repository applications and compositions of cementitious materials are reviewed in Section four. The main analysis of durability is dealt with in Section five. The different types of cementitious barrier are considered separately and their most probable modes of degradation are analysed. Concluding remarks that highlight critical technical matters are given in Section six. (author)

  1. Entombment Using Cementitious Materials: Design Considerations and International Experience

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, Roger Ray

    2002-08-01

    Cementitious materials have physical and chemical properties that are well suited for the requirements of radioactive waste management. Namely, the materials have low permeability and durability that is consistent with the time frame required for short-lived radionuclides to decay. Furthermore, cementitious materials can provide a long-term chemical environment that substantially reduces the mobility of some long-lived radionuclides of concern for decommissioning (e.g., C-14, Ni-63, Ni-59). Because of these properties, cementitious materials are common in low-level radioactive waste disposal facilities throughout the world and are an attractive option for entombment of nuclear facilities. This paper describes design considerations for cementitious barriers in the context of performance over time frames of a few hundreds of years (directed toward short-lived radionuclides) and time frames of thousands of years (directed towards longer-lived radionuclides). The emphasis is on providing an overview of concepts for entombment that take advantage of the properties of cementitious materials and experience from the design of low-level radioactive waste disposal facilities. A few examples of the previous use of cementitious materials for entombment of decommissioned nuclear facilities and proposals for the use in future decommissioning of nuclear reactors in a few countries are also included to provide global perspective.

  2. Entombment Using Cementitious Materials: Design Considerations and International Experience

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, R.R.

    2002-05-15

    Cementitious materials have physical and chemical properties that are well suited for the requirements of radioactive waste management. Namely, the materials have low permeability and durability that is consistent with the time frame required for short-lived radionuclides to decay. Furthermore, cementitious materials can provide a long-term chemical environment that substantially reduces the mobility of some long-lived radionuclides of concern for decommissioning (e.g., C-14, Ni-63, Ni-59). Because of these properties, cementitious materials are common in low-level radioactive waste disposal facilities throughout the world and are an attractive option for entombment of nuclear facilities. This paper describes design considerations for cementitious barriers in the context of performance over time frames of a few hundreds of years (directed toward short-lived radionuclides) and time frames of thousands of years (directed towards longer-lived radionuclides). The emphasis is on providing a n overview of concepts for entombment that take advantage of the properties of cementitious materials and experience from the design of low-level radioactive waste disposal facilities. A few examples of the previous use of cementitious materials for entombment of decommissioned nuclear facilities and proposals for the use in future decommissioning of nuclear reactors in a few countries are also included to provide global perspective.

  3. Entombment Using Cementitious Materials: Design Considerations and International Experience

    International Nuclear Information System (INIS)

    Seitz, R.R.

    2002-01-01

    Cementitious materials have physical and chemical properties that are well suited for the requirements of radioactive waste management. Namely, the materials have low permeability and durability that is consistent with the time frame required for short-lived radionuclides to decay. Furthermore, cementitious materials can provide a long-term chemical environment that substantially reduces the mobility of some long-lived radionuclides of concern for decommissioning (e.g., C-14, Ni-63, Ni-59). Because of these properties, cementitious materials are common in low-level radioactive waste disposal facilities throughout the world and are an attractive option for entombment of nuclear facilities. This paper describes design considerations for cementitious barriers in the context of performance over time frames of a few hundreds of years (directed toward short-lived radionuclides) and time frames of thousands of years (directed towards longer-lived radionuclides). The emphasis is on providing a n overview of concepts for entombment that take advantage of the properties of cementitious materials and experience from the design of low-level radioactive waste disposal facilities. A few examples of the previous use of cementitious materials for entombment of decommissioned nuclear facilities and proposals for the use in future decommissioning of nuclear reactors in a few countries are also included to provide global perspective

  4. REFERENCE CASES FOR USE IN THE CEMENTITIOUS BARRIERS PARTNERSHIP

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C

    2009-01-06

    The Cementitious Barriers Project (CBP) is a multidisciplinary cross cutting project initiated by the US Department of Energy (DOE) to develop a reasonable and credible set of tools to improve understanding and prediction of the structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. The period of performance is >100 years for operating facilities and > 1000 years for waste management. The CBP has defined a set of reference cases to provide the following functions: (1) a common set of system configurations to illustrate the methods and tools developed by the CBP, (2) a common basis for evaluating methodology for uncertainty characterization, (3) a common set of cases to develop a complete set of parameter and changes in parameters as a function of time and changing conditions, and (4) a basis for experiments and model validation, and (5) a basis for improving conceptual models and reducing model uncertainties. These reference cases include the following two reference disposal units and a reference storage unit: (1) a cementitious low activity waste form in a reinforced concrete disposal vault, (2) a concrete vault containing a steel high-level waste tank filled with grout (closed high-level waste tank), and (3) a spent nuclear fuel basin during operation. Each case provides a different set of desired performance characteristics and interfaces between materials and with the environment. Examples of concretes, grout fills and a cementitious waste form are identified for the relevant reference case configurations.

  5. Cementitious Barriers Partnership Accomplishments And Relevance To The DOE Complex

    International Nuclear Information System (INIS)

    Burns, H.; Langton, C.; Flach, G.; Kosson, D.

    2010-01-01

    The Cementitious Barriers Partnership (CBP) was initiated to reduce risk and uncertainties in the performance assessments that directly impact U.S. Department of Energy (DOE) environmental cleanup and closure programs. The CBP is supported by the DOE Office of Environmental Management (DOE-EM) and has been specifically addressing the following critical EM program needs: (i) the long-term performance of cementitious barriers and materials in nuclear waste disposal facilities and (ii) increased understanding of contaminant transport behavior within cementitious barrier systems to support the development and deployment of adequate closure technologies. To accomplish this, the CBP has two initiatives: (1) an experimental initiative to increase understanding of changes in cementitious materials over long times (> 1000 years) over changing conditions and (2) a modeling initiative to enhance and integrate a set of computational tools validated by laboratory and field experimental data to improve understanding and prediction of the long-term performance of cementitious barriers and waste forms used in nuclear applications. In FY10, the CBP developed the initial phase of an integrated modeling tool that would serve as a screening tool which could help in making decisions concerning disposal and tank closure. The CBP experimental programs are underway to validate this tool and provide increased understanding of how CM changes over time and under changing conditions. These initial CBP products that will eventually be enhanced are anticipated to reduce the uncertainties of current methodologies for assessing cementitious barrier performance and increase the consistency and transparency of the DOE assessment process. These tools have application to low activity waste forms, high level waste tank closure, D and D and entombment of major nuclear facilities, landfill waste acceptance criteria, and in-situ grouting and immobilization of vadose zone contamination. This paper

  6. On the Interaction between Superabsorbent Hydrogels and Cementitious Materials

    Science.gov (United States)

    Farzanian, Khashayar

    Autogenous shrinkage induced cracking is a major concern in high performance concretes (HPC), which are produced with low water to cement ratios. Internal curing to maintain high relative humidity in HPC with the use of an internal water reservoir has proven effective in mitigating autogenous shrinkage in HPC. Superabsorbent polymers (SAP) or hydrogels have received increasing attention as an internal curing agent in recent years. A key advantage of SAP is its versatility in size distribution and absorption/desorption characteristics, which allow it to be adapted to specific mix designs. Understanding the behavior of superabsorbent hydrogels in cementitious materials is critical for accurate design of internal curing. The primary goal of this study is to fundamentally understand the interaction between superabsorbent hydrogels and cementitious materials. In the first step, the effect of chemical and mechanical conditions on the absorption of hydrogels is investigated. In the second step, the desorption of hydrogels in contact with porous cementitious materials is examined to aid in understanding the mechanisms of water release from superabsorbent hydrogels (SAP) into cementitious materials. The dependence of hydrogel desorption on the microstructure of cementitious materials and relative humidity is studied. It is shown that the capillary forces developed at the interface between the hydrogel and cementitious materials increased the desorption of the hydrogels. The size of hydrogels is shown to influence desorption, beyond the known size dependence of bulk diffusion, through debonding from the cementitious matrix, thereby decreasing the effect of the Laplace pressure on desorption. In the third step, the desorption of hydrogels synthesized with varied chemical compositions in cementitious materials are investigated. The absorption, chemical structure and mechanical response of hydrogels swollen in a cement mixture are studied. The effect of the capillary forces on

  7. Rough Set Approach to Incomplete Multiscale Information System

    Science.gov (United States)

    Yang, Xibei; Qi, Yong; Yu, Dongjun; Yu, Hualong; Song, Xiaoning; Yang, Jingyu

    2014-01-01

    Multiscale information system is a new knowledge representation system for expressing the knowledge with different levels of granulations. In this paper, by considering the unknown values, which can be seen everywhere in real world applications, the incomplete multiscale information system is firstly investigated. The descriptor technique is employed to construct rough sets at different scales for analyzing the hierarchically structured data. The problem of unravelling decision rules at different scales is also addressed. Finally, the reduct descriptors are formulated to simplify decision rules, which can be derived from different scales. Some numerical examples are employed to substantiate the conceptual arguments. PMID:25276852

  8. Microbiological activities in a shallow-ground repository with cementitious wasteform

    International Nuclear Information System (INIS)

    Varlakova, G.A.; Dyakonova, A.T.; Netrusov, A.I.; Ojovan, M.I.

    2012-01-01

    Cementitious wasteform with immobilised nuclear power plant operational radioactive waste disposed in a near surface testing repository for about 20 years have been analysed for microbiological activities. Clean cultures were selected from the main metabolic groups expected within repository environment e.g. anaerobic de-nitrifying, fermenting, sulphur-reducing, iron-reducing, and oxidizing, thio-bacterium and mushrooms. Microbiological species were identified within cementitious wasteform, in the clayey soil near the wasteform and in the contacting water. The most populated medium was the soil with microbial populations Bacillus, Pseudomonas and Micrococcus, and densities of populations up to 3.6*10 5 colony/g. Microbial populations of generic type Bacillus, Pseudomonas, Rhodococcus, Alcaligenes, Micrococcus, Mycobacterium, and Arthrobacter were identified within cementitious wasteform. Populations of Arthrobacter, Pseudomonas, Alcaligenes, Rhodococcus, Bacillus and Flavobacterium were identified in the water samples contacting the cementitious wasteform. Microbiological species identified are potential destructors of cementitious wasteform and containers. (authors)

  9. A combined wet chemistry and EXAFS study of U(VI) uptake by cementitious materials

    International Nuclear Information System (INIS)

    Wieland, E.; Harfouche, M.; Tits, J.; Kunz, D.; Daehn, R.; Fujita, T.; Tsukamoto, M.

    2006-01-01

    The sorption behaviour and speciation of U(VI) in cementitious systems was investigated by a combination of wet chemistry experiments and synchrotron-based X-ray absorption spectroscopy (XAS) measurements. Radiotracer studies using 233 U were carried out on hardened cement paste (HCP) and calcium silicate hydrates (C-S-H), which are the major constituents of HCP, to determine the uptake kinetics and sorption isotherms. C-S-H phases were synthesized using different methods for solid phase preparation, which enabled us to study the U(VI) uptake by different types of C-S-H phases and a wide range of Ca/Si compositions, and to distinguish U(VI) sorption on the surface of C-S-H from U(VI) incorporation into the structure. XAS measurements were performed using U(VI) loaded HCP and C-S-H materials (sorption and co-precipitation samples) to gain structural information on the U(VI) speciation in these systems, i.e., the type and number of neighbouring atoms, and bond distances. Examples of studies that have utilized XAS to characterize U(VI) speciation in cementitious systems are still rare, and to the best of our knowledge, detailed XAS investigations of the U(VI)/C-S-H system are lacking. The results obtained from the combined use of wet chemical and spectroscopic techniques allow mechanistic models of the immobilization process to be proposed for cementitious waste forms containing low and high U(VI) inventories. In the latter case U(VI) immobilization is controlled by a solubility-limiting process with the U(VI) mineral predominantly formed under the conditions prevailing in cementitious systems. At low U(VI) concentrations, however, U(VI) appears to be predominantly bound onto C-S-H phases. The coordination environment of U(VI) taken up by C-S-H was found to resemble that of U(VI) in uranophane. A mechanistic understanding of the U(VI) binding by cementitious materials will allow more detailed and scientifically well founded predictions of the retention of

  10. Service life prediction and cementitious composites

    DEFF Research Database (Denmark)

    Stoklund Larsen, E.

    The present Ph.D.thesis describes and discusses the applicability of a systematic methodology recommended by CIB W80/RILEM-PSL for sevice life prediction. The report describes the most important inherent and environmental factors affecting the service life of structures of cementitious composites....... On the basis of this discription of factors and experience from a test programme described in SBI Report 222, Service life prediction and fibre reinforced cementitious composites, the applicabillity of the CIB/RILEM methodology is discussed....

  11. Crack formation in cementitious materials used for an engineering barrier system and their impact on hydraulic conductivity from the viewpoint of performance assessment of a TRU waste disposal system

    International Nuclear Information System (INIS)

    Hirano, Fumio; Mihara, Morihiro; Honda, Akira; Otani, Yoshiteru; Kyokawa, Hiroyuki; Shimizu, Hiroyuki

    2016-01-01

    The mechanical analysis code MACBECE2014 has been developed at the Japan Atomic Energy Agency (JAEA) to make realistic simulations of the physical integrity of the near field for performance assessment of the geological disposal of TRU waste in Japan. The MACBECE2014 code can be used to evaluate long-term changes in the mechanical behavior of the near field and any subsequent changes in the permeability of engineering barrier components, including crack formation in cementitious materials caused by expansion due to metal corrosion. Cracks in cementitious materials are likely to channel the flow of groundwater and so the represent preferred flow paths of any released radionuclides. Mechanical analysis was conducted using the MACBECE2014 code to investigate the concept of the TRU waste disposal system described in JAEA's Second Progress TRU Report. Simulated results of a disposal system with a bentonite buffer demonstrated that the low permeability of the engineering barrier system could be maintained for long time periods because the physical integrity of the bentonite buffer remained intact even if cracks in the cementitious components had formed locally. Simulated results of the disposal system with a concrete backfill instead of a bentonite buffer showed that crack formation leads to a significant increase in the permeability of the engineering barrier system. (author)

  12. Microfibres and hydrogels to promote autogenous healing in cementitious materials

    OpenAIRE

    Snoeck, Didier; Dubruel, Peter; De Belie, Nele

    2013-01-01

    Cementitious materials are sensitive to crack formation and it would be beneficial if the material could stop the crack propagation, repair the damage and reach again the original liquid-tightness and/or strength. Therefore, a cementitious material with synthetic microfibres and superabsorbent polymers (SAPs) is proposed. Upon crack formation, the microfibres will become active and due to the bridging action, they will stop the opening of a crack, forcing the cementitious material to crack so...

  13. Setup of Extruded Cementitious Hollow Tubes as Containing/Releasing Devices in Self-Healing Systems

    Directory of Open Access Journals (Sweden)

    Alessandra Formia

    2015-04-01

    Full Text Available The aim of this research is to produce self-healing cementitious composites based on the use of cylindrical capsules containing a repairing agent. Cementitious hollow tubes (CHT having two different internal diameters (of 2 mm and 7.5 mm were produced by extrusion and used as containers and releasing devices for cement paste/mortar healing agents. Based on the results of preliminary mechanical tests, sodium silicate was selected as the healing agent. The morphological features of several mix designs used to manufacture the extruded hollow tubes, as well as the coatings applied to increase the durability of both core and shell materials are discussed. Three-point bending tests were performed on samples produced with the addition of the above-mentioned cementitious hollow tubes to verify the self-healing effectiveness of the proposed solution. Promising results were achieved, in particular when tubes with a bigger diameter were used. In this case, a substantial strength and stiffness recovery was observed, even in specimens presenting large cracks (>1 mm. The method is inexpensive and simple to scale up; however, further research is needed in view of a final optimization.

  14. Fatigue Performance and Multiscale Mechanisms of Concrete Toughened by Polymers and Waste Rubber

    Directory of Open Access Journals (Sweden)

    Bo Chen

    2014-01-01

    Full Text Available For improving bending toughness and fatigue performance of brittle cement-based composites, two types of water-soluble polymers (such as dispersible latex powder and polyvinyl alcohol powder and waste tire-rubber powders are added to concrete as admixtures. Multiscale toughening mechanisms of these additions in concretes were comprehensively investigated. Four-point bending fatigue performance of four series concretes is conducted under a stress level of 0.70. The results show that the effects of dispersible latex powder on bending toughness and fatigue life of concrete are better than those of polyvinyl alcohol powder. Furthermore, the bending fatigue lives of concrete simultaneously containing polymers and waste rubber powders are larger than those of concrete with only one type of admixtures. The multiscale physics-chemical mechanisms show that high bonding effect and high elastic modulus of polymer films as well as good elastic property and crack-resistance of waste tire-rubber powders are beneficial for improving bending toughness and fatigue life of cementitious composites.

  15. Micro- and macroscale coefficients of friction of cementitious materials

    International Nuclear Information System (INIS)

    Lomboy, Gilson; Sundararajan, Sriram; Wang, Kejin

    2013-01-01

    Millions of metric tons of cementitious materials are produced, transported and used in construction each year. The ease or difficulty of handling cementitious materials is greatly influenced by the material friction properties. In the present study, the coefficients of friction of cementitious materials were measured at the microscale and macroscale. The materials tested were commercially-available Portland cement, Class C fly ash, and ground granulated blast furnace slag. At the microscale, the coefficient of friction was determined from the interaction forces between cementitious particles using an Atomic Force Microscope. At the macroscale, the coefficient of friction was determined from stresses on bulk cementitious materials under direct shear. The study indicated that the microscale coefficient of friction ranged from 0.020 to 0.059, and the macroscale coefficient of friction ranged from 0.56 to 0.75. The fly ash studied had the highest microscale coefficient of friction and the lowest macroscale coefficient of friction. -- Highlights: •Microscale (interparticle) coefficient of friction (COF) was determined with AFM. •Macroscale (bulk) COF was measured under direct shear. •Fly ash had the highest microscale COF and the lowest macroscale COF. •Portland cement against GGBFS had the lowest microscale COF. •Portland cement against Portland cement had the highest macroscale COF

  16. On a morphological approach of the meso-structure for the multi-scale analysis of the thermo-hydro-mechanical behaviour of cementitious materials

    International Nuclear Information System (INIS)

    Le, T.T.H.

    2011-01-01

    The investigation of the behavior of heated concrete is a major research topic which concerns the assessment of safety level of structures when exposed to high temperatures, for instance during a fire. For this purpose, several modeling approaches were developed within thermo-hydro-mechanical (THM) frameworks in order to take into account the involved physic-chemical and mechanical processes that affect stability of heated concrete. However, existing models often do note account explicitly for the heterogeneity of the material: concrete is composite material that may be schematized as an assembly of inclusions (aggregates) embedded in a cementitious matrix (cement paste). This latter may be described as a partially saturated open porous medium. The aggregates are characterized by their mineralogical nature together with their morphology and size distribution. The material heterogeneity bring an additional complexity: the need to take into account the microstructure in order to quantify the effect of matrix-inclusion thermal, hygral and mechanical incompatibilities on the THM behavior of concrete. This work is a first step in this direction. For this purpose, a three-dimensional (3D) multi-scale finite element model is developed. It allows affecting specific behaviors to matrix and inclusions. For the former, where mass transports occur within the connected porous network, a three-fluids approach (liquid water, vapor and dry air) is adopted and is coupled to a poro-mechanical damage based approach. For inclusions (aggregates) no hygral component arises a pure thermo-mechanical model is considered. The developed model is then used to investigate, either by 2D or 3D numerical simulations, effects of mineralogical nature, morphology and distribution of aggregates. Studied effects have mainly concerned the influence of these parameters on local fluctuations of simulated temperature, gas pressure and damage fields with regard to experimentally observed dispersion. The

  17. Multi-scale biomedical systems: measurement challenges

    International Nuclear Information System (INIS)

    Summers, R

    2016-01-01

    Multi-scale biomedical systems are those that represent interactions in materials, sensors, and systems from a holistic perspective. It is possible to view such multi-scale activity using measurement of spatial scale or time scale, though in this paper only the former is considered. The biomedical application paradigm comprises interactions that range from quantum biological phenomena at scales of 10-12 for one individual to epidemiological studies of disease spread in populations that in a pandemic lead to measurement at a scale of 10+7. It is clear that there are measurement challenges at either end of this spatial scale, but those challenges that relate to the use of new technologies that deal with big data and health service delivery at the point of care are also considered. The measurement challenges lead to the use, in many cases, of model-based measurement and the adoption of virtual engineering. It is these measurement challenges that will be uncovered in this paper. (paper)

  18. Cementitious backfill in mining

    Energy Technology Data Exchange (ETDEWEB)

    Taute, A; Spice, J; Wingrove, A C [Van Niekerk, Kleyn Edwards (South Africa)

    1993-03-01

    This article describes the need for increased usage of backfill material in mining and presents some of the considerations for use of cemented materials. Laboratory test results obtained using a variety of cementitious binders and mine tailings are presented. 3 figs., 1 tab.

  19. Efficient Integration of Coupled Electrical-chemical Systems in Multiscale Neuronal Simulations

    Directory of Open Access Journals (Sweden)

    Ekaterina Brocke

    2016-09-01

    Full Text Available Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. One of them is that the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components of a multiscale test system. We introduce an efficient coupling method based on the second-order backward differentiation formula numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000. The method shows a significant advantage over conventional fixed step size solvers used for similar problems. We explore different coupling strategies that define the organization of computations between system components. We study the

  20. Multiscale decomposition for heterogeneous land-atmosphere systems

    Science.gov (United States)

    Liu, Shaofeng; Shao, Yaping; Hintz, Michael; Lennartz-Sassinek, Sabine

    2015-02-01

    The land-atmosphere system is characterized by pronounced land surface heterogeneity and vigorous atmospheric turbulence both covering a wide range of scales. The multiscale surface heterogeneities and multiscale turbulent eddies interact nonlinearly with each other. Understanding these multiscale processes quantitatively is essential to the subgrid parameterizations for weather and climate models. In this paper, we propose a method for surface heterogeneity quantification and turbulence structure identification. The first part of the method is an orthogonal transform in the probability density function (PDF) domain, in contrast to the orthogonal wavelet transforms which are performed in the physical space. As the basis of the whole method, the orthogonal PDF transform (OPT) is used to asymptotically reconstruct the original signals by representing the signal values with multilevel approximations. The "patch" idea is then applied to these reconstructed fields in order to recognize areas at the land surface or in turbulent flows that are of the same characteristics. A patch here is a connected area with the same approximation. For each recognized patch, a length scale is then defined to build the energy spectrum. The OPT and related energy spectrum analysis, as a whole referred to as the orthogonal PDF decomposition (OPD), is applied to two-dimensional heterogeneous land surfaces and atmospheric turbulence fields for test. The results show that compared to the wavelet transforms, the OPD can reconstruct the original signal more effectively, and accordingly, its energy spectrum represents the signal's multiscale variation more accurately. The method we propose in this paper is of general nature and therefore can be of interest for problems of multiscale process description in other geophysical disciplines.

  1. Development of ductile cementitious composites incorporating microencapsulated phase change materials

    NARCIS (Netherlands)

    Savija, B.; Lukovic, M.; Chaves Figueiredo, S.; de Mendoca Filho, Fernando Franca; Schlangen, H.E.J.G.

    2017-01-01

    Abstract In the past two decades, much research has been devoted to overcoming the inherent brittleness of cementitious materials. To that end, several solutions have been proposed, mainly utilizing fibres. One of the most promising classes of materials is strain hardening cementitious composite

  2. Final Technical Report "Multiscale Simulation Algorithms for Biochemical Systems"

    Energy Technology Data Exchange (ETDEWEB)

    Petzold, Linda R.

    2012-10-25

    Biochemical systems are inherently multiscale and stochastic. In microscopic systems formed by living cells, the small numbers of reactant molecules can result in dynamical behavior that is discrete and stochastic rather than continuous and deterministic. An analysis tool that respects these dynamical characteristics is the stochastic simulation algorithm (SSA, Gillespie, 1976), a numerical simulation procedure that is essentially exact for chemical systems that are spatially homogeneous or well stirred. Despite recent improvements, as a procedure that simulates every reaction event, the SSA is necessarily inefficient for most realistic problems. There are two main reasons for this, both arising from the multiscale nature of the underlying problem: (1) stiffness, i.e. the presence of multiple timescales, the fastest of which are stable; and (2) the need to include in the simulation both species that are present in relatively small quantities and should be modeled by a discrete stochastic process, and species that are present in larger quantities and are more efficiently modeled by a deterministic differential equation (or at some scale in between). This project has focused on the development of fast and adaptive algorithms, and the fun- damental theory upon which they must be based, for the multiscale simulation of biochemical systems. Areas addressed by this project include: (1) Theoretical and practical foundations for ac- celerated discrete stochastic simulation (tau-leaping); (2) Dealing with stiffness (fast reactions) in an efficient and well-justified manner in discrete stochastic simulation; (3) Development of adaptive multiscale algorithms for spatially homogeneous discrete stochastic simulation; (4) Development of high-performance SSA algorithms.

  3. Cementitious Barriers Partnership FY2013 End-Year Report

    Energy Technology Data Exchange (ETDEWEB)

    Flach, G. P. [Savannah River Site (SRS), Aiken, SC (United States); Langton, C. A. [Savannah River Site (SRS), Aiken, SC (United States); Burns, H. H. [Savannah River Site (SRS), Aiken, SC (United States); Smith, F. G. [Savannah River Site (SRS), Aiken, SC (United States); Kosson, D. S. [Vanderbilt University, School of Engineering, Nashville, TN (United States); Brown, K. G. [Vanderbilt University, School of Engineering, Nashville, TN (United States); Samson, E. [SIMCO Technologies, Inc., Quebec (Canada); Meeussen, J. C.L. [Nuclear Research and Consultancy Group (NRG), Petten (The Netherlands); van der Sloot, H. A. [Hans van der Sloot Consultancy, Langedijk (The Netherlands); Garboczi, E. J. [Materials & Construction Research Division, National Institute of Standards and Technology, Gaithersburg, MD (United States)

    2013-11-01

    In FY2013, the Cementitious Barriers Partnership (CBP) demonstrated continued tangible progress toward fulfilling the objective of developing a set of software tools to improve understanding and prediction of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. In November 2012, the CBP released “Version 1.0” of the CBP Software Toolbox, a suite of software for simulating reactive transport in cementitious materials and important degradation phenomena. In addition, the CBP completed development of new software for the “Version 2.0” Toolbox to be released in early FY2014 and demonstrated use of the Version 1.0 Toolbox on DOE applications. The current primary software components in both Versions 1.0 and 2.0 are LeachXS/ORCHESTRA, STADIUM, and a GoldSim interface for probabilistic analysis of selected degradation scenarios. The CBP Software Toolbox Version 1.0 supports analysis of external sulfate attack (including damage mechanics), carbonation, and primary constituent leaching. Version 2.0 includes the additional analysis of chloride attack and dual regime flow and contaminant migration in fractured and non-fractured cementitious material. The LeachXS component embodies an extensive material property measurements database along with chemical speciation and reactive mass transport simulation cases with emphasis on leaching of major, trace and radionuclide constituents from cementitious materials used in DOE facilities, such as Saltstone (Savannah River) and Cast Stone (Hanford), tank closure grouts, and barrier concretes. STADIUM focuses on the physical and structural service life of materials and components based on chemical speciation and reactive mass transport of major cement constituents and aggressive species (e.g., chloride, sulfate, etc.). THAMES is a planned future CBP Toolbox component focused on simulation of the microstructure of cementitious materials and calculation of resultant

  4. Interaction between microcapsules and cementitious matrix after cracking in a self-healing system

    NARCIS (Netherlands)

    Wang, X.; Xing, F.; Zhang, M.; Han, N.; Qian, Z.

    2013-01-01

    A new type of self-healing cementitious composites by using organic microcapsules is designed in Guangdong Key Laboratory of Durability for Coastal Civil Engineering, Shenzhen University. For the organic microcapsules, the shell material is urea formoldehyde (UF), and the core healing agent is

  5. Compositions and use of cementitious materials: experience from Onkalo

    International Nuclear Information System (INIS)

    Hansen, Johanna

    2012-01-01

    Johanna Hansen of Posiva in Finland summarised experiences of working with cementitious materials in the Finnish disposal programme. Posiva is responsible for geological disposal of spent nuclear fuel from the Finnish nuclear power plants at Loviisa and Olkiluoto. Posiva plans to submit a construction license application in 2012 and, if approved, repository construction will begin in 2014-2015. The geologic disposal facility will be a KBS-3 type repository at a depth of 400 to 500 m in crystalline bedrock. Construction of the repository will require using a large quantity of cementitious materials. A 2007 estimate indicated that approximately 20 million kilograms of cementitious material will be introduced into the repository, although much of this material will be removed, with only approximately 6 million kilograms remaining in the repository after closure, mostly in the form of tunnel plugs. To minimise the potential negative effects of cementitious materials, low-pH cement and colloidal silica both were studied as alternative materials. Based on experience gained in constructing the ONKALO underground characterisation facility, Posiva decided that from the spring 2008 onwards, mainly low-pH cement will be used as grouting material because the grout cannot be removed for repository closure. The low-pH grout is composed of Portland cement, silica fume, and super-plasticizer. Various recipes were tested in the laboratory, and field mixing and grouting tests were conducted at ONKALO. The effects of organics on radionuclide retention and the leaching of organics from the cement also were evaluated. The studies indicated no impediments to the use of low-pH grout at ONKALO and showed that low-pH cementitious grout has better penetration ability and stiffness than regular grout. It was also concluded that the amount of cementitious materials in the repository can be reduced with careful design; for this, cooperation is needed between repository designers and long

  6. A mathematical model in charactering chloride diffusivity in unsaturated cementitious material

    NARCIS (Netherlands)

    Zhang, Y.; Ye, G.; Pecur, I.B.; Baricevic, A.; Stirmer, N; Bjegovic, D.

    2017-01-01

    In this paper, a new analytic model for predicting chloride diffusivity in unsaturated cementitious materials is developed based on conductivity theory and Nernst-Einstein equation. The model specifies that chloride diffusivity in unsaturated cementitious materials can be mathematically described as

  7. Information theory and stochastics for multiscale nonlinear systems

    CERN Document Server

    Majda, Andrew J; Grote, Marcus J

    2005-01-01

    This book introduces mathematicians to the fascinating emerging mathematical interplay between ideas from stochastics and information theory and important practical issues in studying complex multiscale nonlinear systems. It emphasizes the serendipity between modern applied mathematics and applications where rigorous analysis, the development of qualitative and/or asymptotic models, and numerical modeling all interact to explain complex phenomena. After a brief introduction to the emerging issues in multiscale modeling, the book has three main chapters. The first chapter is an introduction to information theory with novel applications to statistical mechanics, predictability, and Jupiter's Red Spot for geophysical flows. The second chapter discusses new mathematical issues regarding fluctuation-dissipation theorems for complex nonlinear systems including information flow, various approximations, and illustrates applications to various mathematical models. The third chapter discusses stochastic modeling of com...

  8. Cementitious Materials in Safety Cases for Geological Repositories for Radioactive Waste: Role, Evolution and Interactions. A Workshop organised by the OECD/NEA Integration Group for the Safety Case and hosted by ONDRAF/NIRAS. Cementitious materials in safety cases for radioactive waste: role, evolution and interactions

    International Nuclear Information System (INIS)

    2012-01-01

    The OECD Nuclear Energy Agency (NEA) Integration Group for the Safety Case (IGSC) organised a workshop to assess current understanding on the use of cementitious materials in radioactive waste disposal. The workshop was hosted by the Belgian Agency for Radioactive Waste and Enriched Fissile Materials (Ondraf/Niras), in Brussels, Belgium on 17-19 November 2009. The workshop brought together a wide range of people involved in supporting safety case development and having an interest in cementitious materials: namely, cement and concrete experts, repository designers, scientists, safety assessors, disposal programme managers and regulators. The workshop was designed primarily to consider issues relevant to the post-closure safety of radioactive waste disposal, but also addressed some related operational issues, such as cementitious barrier emplacement. Where relevant, information on cementitious materials from analogous natural and anthropogenic systems was also considered. This report provides a synthesis of the workshop, and summarises its main results and findings. The structure of this report follows the workshop agenda: - Section 2 summarises plenary and working group discussions on the uses, functions and evolution of cementitious materials in geological disposal, and highlights key aspects and discussions points. - Section 3 summarises plenary and working group discussions on interactions of cementitious materials with other disposal system components, and highlights key aspects and discussions points. - Section 4 summarises the workshop session on the integration of issues related to cementitious materials using the safety case. - Section 5 presents the main conclusions from the workshop. - Section 6 contains a list of references. - Appendix A presents the workshop agenda. - Appendix B contains the abstracts and, where provided, technical papers supporting oral presentations at the workshop. - Appendix C contains the abstracts and, where provided, technical

  9. X-ray Computed Microtomography technique applied for cementitious materials: A review.

    Science.gov (United States)

    da Silva, Ítalo Batista

    2018-04-01

    The main objective of this article is to present a bibliographical review about the use of the X-ray microtomography method in 3D images processing of cementitious materials microstructure, analyzing the pores microstructure and connectivity network, enabling tthe possibility of building a relationship between permeability and porosity. The use of this technique enables the understanding of physical, chemical and mechanical properties of cementitious materials by publishing good results, considering that the quality and quantity of accessible information were significant and may contribute to the study of cementitious materials development. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. Ancient analogues concerning stability and durability of cementitious wasteform

    International Nuclear Information System (INIS)

    Jiang, W.; Roy, D.M.

    1994-01-01

    The history of cementitious materials goes back to ancient times. The Greeks and Romans used calcined limestone and later developed pozzolanic cement by grinding together lime and volcanic ash called open-quotes pozzolanclose quotes which was first found near Port Pozzuoli, Italy. The ancient Chinese used lime-pozzolanic mixes to build the Great Wall. The ancient Egyptians used calcined impure gypsum to build the Great Pyramid of Cheops. The extraordinary stability and durability of these materials has impressed us, when so much dramatically damaged infrastructure restored by using modern portland cement now requires rebuilding. Stability and durability of cementitious materials have attracted intensive research interest and contractors' concerns, as does immobilization of radioactive and hazardous industrial waste in cementitious materials. Nuclear waste pollution of the environment and an acceptable solution for waste management and disposal constitute among the most important public concerns. The analogy of ancient cementitious materials to modern Portland cement could give us some clues to study their stability and durability. This present study examines selected results of studies of ancient building materials from France, Italy, China, and Egypt, combined with knowledge obtained from the behavior of modern portland cement to evaluate the potential for stability and durability of such materials in nuclear waste forms

  11. A Multi-scale Modeling System with Unified Physics to Study Precipitation Processes

    Science.gov (United States)

    Tao, W. K.

    2017-12-01

    In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), and (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF). The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the precipitation, processes and their sensitivity on model resolution and microphysics schemes will be presented. Also how to use of the multi-satellite simulator to improve precipitation processes will be discussed.

  12. RC beams shear-strengthened with fabric-reinforced-cementitious-matrix (FRCM) composite

    Science.gov (United States)

    Loreto, Giovanni; Babaeidarabad, Saman; Leardini, Lorenzo; Nanni, Antonio

    2015-12-01

    The interest in retrofit/rehabilitation of existing concrete structures has increased due to degradation and/or introduction of more stringent design requirements. Among the externally-bonded strengthening systems fiber-reinforced polymers is the most widely known technology. Despite its effectiveness as a material system, the presence of an organic binder has some drawbacks that could be addressed by using in its place a cementitious binder as in fabric-reinforced cementitious matrix (FRCM) systems. The purpose of this paper is to evaluate the behavior of reinforced concrete (RC) beams strengthened in shear with U-wraps made of FRCM. An extensive experimental program was undertaken in order to understand and characterize this composite when used as a strengthening system. The laboratory results demonstrate the technical viability of FRCM for shear strengthening of RC beams. Based on the experimental and analytical results, FRCM increases shear strength but not proportionally to the number of fabric plies installed. On the other hand, FRCM failure modes are related with a high consistency to the amount of external reinforcement applied. Design considerations based on the algorithms proposed by ACI guidelines are also provided.

  13. Reduction of minimum required weight of cementitious materials in WisDOT concrete mixes.

    Science.gov (United States)

    2011-12-01

    This project was designed to explore the feasibility of lowering the cementitious materials content : (CMC) used in Wisconsin concrete pavement construction. The cementitious materials studied included : portland cement, fly ash, and ground granulate...

  14. Reduction of minimum required weight of cementitious materials in WisDOT concrete mixes.

    Science.gov (United States)

    2011-12-01

    "This project was designed to explore the feasibility of lowering the cementitious materials content : (CMC) used in Wisconsin concrete pavement construction. The cementitious materials studied included : portland cement, fly ash, and ground granulat...

  15. Long Term Behaviour of Cementitious Materials in the Korean Repository Environment

    International Nuclear Information System (INIS)

    Park, J.-W.; Kim, C.-L.

    2013-01-01

    The safe management of radioactive waste is a national task required for sustainable generation of nuclear power and for energy self-reliance in Korea. After the selection of the final candidate site for low- and intermediate-level waste (LILW) disposal in Korea, a construction and operation license was issued for the Wolsong LILW Disposal Center (WLDC) for the first stage of disposal. Underground silo type disposal has been determined for the initial phase. The engineered barrier system of the disposal silo consists of waste packages, disposal containers, backfills, and a concrete lining. Main objective of our study in this IAEA-CRP is to investigate closure concepts and cementitious backfill materials for the closure of silos. For this purpose, characterisation of cementitious materials, development of silo closure concept, and evaluation of long-term behaviour of cementitious materials, including concrete degradation in repository environment, have been carried out. The overall implementation plan for the CRP comprises performance testing for the physic-chemical properties of cementitious materials, degradation modelling of concrete structures, comparisons of performance for silo closure options, radionuclide transport modelling (considering concrete degradation in repository conditions), and the implementation of an input parameter database and quality assurance for safety/performance assessment. In particular, the concrete degradation modelling study has been focused on the corrosion of reinforcement steel induced by chloride attack, which was of primary concern in the safety assessment of the WLDC. A series of electrochemical experiments were conducted to investigate the effect of dissolved oxygen, pH, and Cl on the corrosion rate of reinforcing steel in a concrete structure saturated with groundwater. Laboratory-scale experiments and a thermodynamic modelling were performed to understand the porosity change of cement pastes, which were prepared using

  16. Penetration of corrosion products and corrosion-induced cracking in reinforced cementitious materials

    DEFF Research Database (Denmark)

    Michel, Alexander; Pease, Brad J.; Peterova, Adela

    2014-01-01

    This paper describes experimental investigations on corrosion-induced deterioration in reinforced cementitious materials and the subsequent development and implementation of a novel conceptual model. Rejnforced mortar specimens of varying water-to-cement ratios were subjected to current-induced c......This paper describes experimental investigations on corrosion-induced deterioration in reinforced cementitious materials and the subsequent development and implementation of a novel conceptual model. Rejnforced mortar specimens of varying water-to-cement ratios were subjected to current......-dependent concentrations of corrosion products averaged through the specimen thickness. Digital image correlation (DIC) was used to measure corrosion-induced deformations including deformations between steel and cementitious matrix as well as formation and propagation of corrosion-induced cracks. Based on experimental...... observations, a conceptual model was developed to describe the penetration of solid corrosion products into capillary pores of the cementitious matrix. Only capillary pores within a corrosion accommodating region (CAR), i.e. in close proximity of the steel reinforcement, were considered accessible...

  17. Modeling and simulation of high dimensional stochastic multiscale PDE systems at the exascale

    Energy Technology Data Exchange (ETDEWEB)

    Zabaras, Nicolas J. [Cornell Univ., Ithaca, NY (United States)

    2016-11-08

    Predictive Modeling of multiscale and Multiphysics systems requires accurate data driven characterization of the input uncertainties, and understanding of how they propagate across scales and alter the final solution. This project develops a rigorous mathematical framework and scalable uncertainty quantification algorithms to efficiently construct realistic low dimensional input models, and surrogate low complexity systems for the analysis, design, and control of physical systems represented by multiscale stochastic PDEs. The work can be applied to many areas including physical and biological processes, from climate modeling to systems biology.

  18. Hydration characteristics and environmental friendly performance of a cementitious material composed of calcium silicate slag

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Na; Li, Hongxu [School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Beijing Key Laboratory of Rare and Precious Metals Green Recycling and Extraction, University of Science and Technology Beijing, Beijing 100083 (China); Zhao, Yazhao [School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Liu, Xiaoming, E-mail: liuxm@ustb.edu.cn [School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Beijing Key Laboratory of Rare and Precious Metals Green Recycling and Extraction, University of Science and Technology Beijing, Beijing 100083 (China)

    2016-04-05

    Highlights: • Cementitious material was designed according to [SiO{sub 4}] polymerization degree of raw materials. • The cementitious material composed of calcium silicate slag yields excellent physical and mechanical properties. • Amorphous C–A–S–H gel and rod-like ettringite are predominantly responsible for the strength development. • Leaching toxicity and radioactivity tests show the cementitious material is environmentally acceptable. - Abstract: Calcium silicate slag is an alkali leaching waste generated during the process of extracting Al{sub 2}O{sub 3} from high-alumina fly ash. In this research, a cementitious material composed of calcium silicate slag was developed, and its mechanical and physical properties, hydration characteristics and environmental friendly performance were investigated. The results show that an optimal design for the cementitious material composed of calcium silicate slag was determined by the specimen CFSC7 containing 30% calcium silicate slag, 5% high-alumina fly ash, 24% blast furnace slag, 35% clinker and 6% FGD gypsum. This blended system yields excellent physical and mechanical properties, confirming the usefulness of CFSC7. The hydration products of CFSC7 are mostly amorphous C–A–S–H gel, rod-like ettringite and hexagonal-sheet Ca(OH){sub 2} with small amount of zeolite-like minerals such as CaAl{sub 2}Si{sub 2}O{sub 8}·4H{sub 2}O and Na{sub 2}Al{sub 2}Si{sub 2}O{sub 8}·H{sub 2}O. As the predominant hydration products, rod-like ettringite and amorphous C–A–S–H gel play a positive role in promoting densification of the paste structure, resulting in strength development of CFSC7 in the early hydration process. The leaching toxicity and radioactivity tests results indicate that the developed cementitious material composed of calcium silicate slag is environmentally acceptable. This study points out a promising direction for the proper utilization of calcium silicate slag in large quantities.

  19. The optimal filtering of a class of dynamic multiscale systems

    Institute of Scientific and Technical Information of China (English)

    PAN Quan; ZHANG Lei; CUI Peiling; ZHANG Hongcai

    2004-01-01

    This paper discusses the optimal filtering of a class of dynamic multiscale systems (DMS), which are observed independently by several sensors distributed at different resolution spaces. The system is subject to known dynamic system model. The resolution and sampling frequencies of the sensors are supposed to decrease by a factor of two. By using the Haar wavelet transform to link the state nodes at each of the scales within a time block, a discrete-time model of this class of multiscale systems is given, and the conditions for applying Kalman filtering are proven. Based on the linear time-invariant system, the controllability and observability of the system and the stability of the Kalman filtering is studied, and a theorem is given. It is proved that the Kalman filter is stable if only the system is controllable and observable at the finest scale. Finally, a constant-velocity process is used to obtain insight into the efficiencies offered by our model and algorithm.

  20. Geochemical performance of earthen and cementitious sealing materials for radioactive waste repositories

    International Nuclear Information System (INIS)

    Melchoir, D.; Glazier, R.; Marton, R.

    1988-01-01

    Earthen and cementitious materials are proposed as part of the sealing system for radioactive waste repositories. Compacted clay-bearing earthen materials could be used in sealing shafts and shaft entryways; and in the waste emplacement boundary areas in some repository designs. Earthen material mixtures are being considered because they can be engineered and emplaced to achieve low permeabilities, appropriate swelling characteristics, and adequate strength with little tendency to degrade during changing environmental conditions. The proposed earthen sealing materials include sodium and calcium mont-morillonites, illites, and mixtures with graded aggregates of sand. To assess the relative advantages and disadvantages of various pure and mixed materials, important geochemical processes (e.g., ion-exchange, phase transformation, dissolution, and precipitation of secondary minerals) need to be evaluated. These processes could impact seal integrity by changing permeability and/or mineral swell potential. Hydrous calcium-silicate-based cementitious materials such as grouts or concrete might also be used in some proposed sealing systems

  1. Preliminary experimental study on the deterioration of cementitious materials by an acceleration method

    International Nuclear Information System (INIS)

    Saito, H.; Nakane, S.; Ikari, S.; Fujiwara, A.

    1992-01-01

    Development of a deterioration model for cementitious materials is important in assessing long-term integrity of nuclear waste repositories. The authors preliminarily examined a new test method for acceleration of aging of mortar specimens by application of electrical potential gradients and observed whether the method could throw light on the deterioration process of cementitious materials under repository conditions. As a result, it was concluded that the application of a potential gradient to a mortar specimen might be useful as an accelerated test method for assessing the deterioration behavior of cementitious materials due to leaching. (orig.)

  2. The effect of nitrates on the alteration of the cementitious material

    International Nuclear Information System (INIS)

    Takei, Akihiko; Owada, Hitoshi; Fujita, Hideki; Negishi, Kumi

    2002-02-01

    TRU waste includes various chemical compounds such as nitrates. The influence of the chemical compounds on the performance of the barrier system should be estimated. Since the temperature of the deep-underground is higher than that of the near surface and a part of the TRU waste generates the heat accompanied with the decay of the radioactive nuclides, the influences of the heat to the barrier material also should be taken into account. In this study, we estimated the influence of sodium nitrate and also that of the leachate from the ROBE-waste (borate-solidified body of concentrated low-level waste) to the degradation of the cementitious material. We also obtained the mineralogical data of cementitious mineral after alteration in elevated temperature conditions. Results in this year are described below. 1) Alteration of characteristics of cementitious material in nitrate solution were evaluated by the water permeation test using sodium nitrate solution. The enhancement of the alteration of cementitious material due to sodium nitrate was observed. The dissolution quantity of the calcium of sodium nitrate solution permeated sample was larger than that of deionized water permeated sample (denoted as 'blank' in following). Hydraulic conductivity of sodium nitrate solution permeated sample was lower than blank, but after changing permeation liquid from sodium nitrate solution to deionized water, hydraulic conductivity rose quickly. The increase of porosity and the decrease of compressive strength were observed in the case of sodium nitrate solution compared with blank. In the nitrate solution, sulfate type and carbonate type of AFm changed into the nitrate type AFm. The nitrate type AFm altered to the carbonate type AFm when the nitrate concentration was lowered. 2) The influence of the leachate from the two types of ROBE-waste on the dissolution of the cementitious material was evaluated by the leaching experiments. Dissolution of the calcium from the cementitious

  3. Tuneable resolution as a systems biology approach for multi-scale, multi-compartment computational models.

    Science.gov (United States)

    Kirschner, Denise E; Hunt, C Anthony; Marino, Simeone; Fallahi-Sichani, Mohammad; Linderman, Jennifer J

    2014-01-01

    The use of multi-scale mathematical and computational models to study complex biological processes is becoming increasingly productive. Multi-scale models span a range of spatial and/or temporal scales and can encompass multi-compartment (e.g., multi-organ) models. Modeling advances are enabling virtual experiments to explore and answer questions that are problematic to address in the wet-lab. Wet-lab experimental technologies now allow scientists to observe, measure, record, and analyze experiments focusing on different system aspects at a variety of biological scales. We need the technical ability to mirror that same flexibility in virtual experiments using multi-scale models. Here we present a new approach, tuneable resolution, which can begin providing that flexibility. Tuneable resolution involves fine- or coarse-graining existing multi-scale models at the user's discretion, allowing adjustment of the level of resolution specific to a question, an experiment, or a scale of interest. Tuneable resolution expands options for revising and validating mechanistic multi-scale models, can extend the longevity of multi-scale models, and may increase computational efficiency. The tuneable resolution approach can be applied to many model types, including differential equation, agent-based, and hybrid models. We demonstrate our tuneable resolution ideas with examples relevant to infectious disease modeling, illustrating key principles at work. © 2014 The Authors. WIREs Systems Biology and Medicine published by Wiley Periodicals, Inc.

  4. Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes

    Science.gov (United States)

    Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.

    2011-01-01

    In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the recent developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the precipitating systems and hurricanes/typhoons will be presented. The high-resolution spatial and temporal visualization will be utilized to show the evolution of precipitation processes. Also how to

  5. A fully general and adaptive inverse analysis method for cementitious materials

    DEFF Research Database (Denmark)

    Jepsen, Michael S.; Damkilde, Lars; Lövgren, Ingemar

    2016-01-01

    The paper presents an adaptive method for inverse determination of the tensile σ - w relationship, direct tensile strength and Young’s modulus of cementitious materials. The method facilitates an inverse analysis with a multi-linear σ - w function. Usually, simple bi- or tri-linear functions...... are applied when modeling the fracture mechanisms in cementitious materials, but the vast development of pseudo-strain hardening, fiber reinforced cementitious materials require inverse methods, capable of treating multi-linear σ - w functions. The proposed method is fully general in the sense that it relies...... of notched specimens and simulated data from a nonlinear hinge model. The paper shows that the results obtained by means of the proposed method is independent on the initial shape of the σ - w function and the initial guess of the tensile strength. The method provides very accurate fits, and the increased...

  6. Modelling the carbonation of cementitious matrixes by means of the unreacted-core model, UR-CORE

    International Nuclear Information System (INIS)

    Castellote, M.; Andrade, C.

    2008-01-01

    This paper presents a model for the carbonation of cementitious matrixes (UR-CORE). The model is based on the principles of the 'unreacted-core' systems, typical of chemical engineering processes, in which the reacted product remains in the solid as a layer of inert ash, adapted for the specific case of carbonation. Development of the model has been undertaken in three steps: 1) Establishment of the controlling step in the global carbonation rate, by using data of fractional conversion of different phases of the cementitious matrixes, obtained by the authors through neutron diffraction data experiments, and reported in [M. Castellote, C. Andrade, X. Turrillas, J. Campo, G. Cuello, Accelerated carbonation of cement pastes in situ monitored by neutron diffraction, Cem. Concr. Res. (2008), doi:10.1016/j.cemconres.2008.07.002]. 2) Then, the model has been adapted and applied to the cementitious materials using different concentrations of CO 2 , with the introduction of the needed assumptions and factors. 3) Finally, the model has been validated with laboratory data at different concentrations (taken from literature) and for long term natural exposure of concretes. As a result, the model seems to be reliable enough to be applied to cementitious materials, being able to extrapolate the results from accelerated tests in any conditions to predict the rate of carbonation in natural exposure, being restricted, at present stage, to conditions with a constant relative humidity

  7. Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

    KAUST Repository

    Chung, Eric; Efendiev, Yalchin R.; Leung, Wing; Ren, Jun

    2015-01-01

    In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.

  8. Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

    KAUST Repository

    Chung, Eric

    2015-12-11

    In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.

  9. Influence of Cracks in Cementitious Engineered Barriers in a Near-Surface Disposal System: Assessment Analysis of the Belgian Case

    International Nuclear Information System (INIS)

    Perko, Janez; Seetharam, Suresh C.; Jacques, Diederik; Mallants, Dirk; Cool, Wim; Vermarien, Elise

    2013-01-01

    In large cement-based structures such as a near surface disposal facility for radioactive waste voids and cracks are inevitable. However, the pattern and nature of cracks are very difficult to predict reliably. Cracks facilitate preferential water flow through the facility because their saturated hydraulic conductivity is generally higher than the conductivity of the cementitious matrix. Moreover, sorption within the crack is expected to be lower than in the matrix and hence cracks in engineered barriers can act as a bypass for radionuclides. Consequently, understanding the effects of crack characteristics on contaminant fluxes from the facility is of utmost importance in a safety assessment. In this paper we numerically studied radionuclide leaching from a crack-containing cementitious containment system. First, the effect of cracks on radionuclide fluxes is assessed for a single repository component which contains a radionuclide source (i.e. conditioned radwaste). These analyses reveal the influence of cracks on radionuclide release from the source. The second set of calculations deals with the safety assessment results for the planned near-surface disposal facility for low-level radioactive waste in Dessel (Belgium); our focus is on the analysis of total system behaviour in regards to release of radionuclide fluxes from the facility. Simulation results are interpreted through a complementary safety indicator (radiotoxicity flux). We discuss the possible consequences from different scenarios of cracks and voids. (authors)

  10. Anatomy and Physiology of Multiscale Modeling and Simulation in Systems Medicine.

    Science.gov (United States)

    Mizeranschi, Alexandru; Groen, Derek; Borgdorff, Joris; Hoekstra, Alfons G; Chopard, Bastien; Dubitzky, Werner

    2016-01-01

    Systems medicine is the application of systems biology concepts, methods, and tools to medical research and practice. It aims to integrate data and knowledge from different disciplines into biomedical models and simulations for the understanding, prevention, cure, and management of complex diseases. Complex diseases arise from the interactions among disease-influencing factors across multiple levels of biological organization from the environment to molecules. To tackle the enormous challenges posed by complex diseases, we need a modeling and simulation framework capable of capturing and integrating information originating from multiple spatiotemporal and organizational scales. Multiscale modeling and simulation in systems medicine is an emerging methodology and discipline that has already demonstrated its potential in becoming this framework. The aim of this chapter is to present some of the main concepts, requirements, and challenges of multiscale modeling and simulation in systems medicine.

  11. CEMENTITIOUS BARRIERS PARTNERSHIP FY13 MID-YEAR REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Burns, H.; Flach, G.; Langton, C.; KOSSON, D.; BROWN, K.; SAMSON, E.; MEEUSSEN, J.; SLOOT, H.; GARBOCZI, E.

    2013-05-01

    In FY2013, the Cementitious Barriers Partnership (CBP) is continuing in its effort to develop and enhance software tools demonstrating tangible progress toward fulfilling the objective of developing a set of tools to improve understanding and prediction of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. In FY2012, the CBP released the initial inhouse “Beta-version” of the CBP Software Toolbox, a suite of software for simulating reactive transport in cementitious materials and important degradation phenomena. The current primary software components are LeachXS/ORCHESTRA, STADIUM, and a GoldSim interface for probabilistic analysis of selected degradation scenarios. THAMES is a planned future CBP Toolbox component (FY13/14) focused on simulation of the microstructure of cementitious materials and calculation of resultant hydraulic and constituent mass transfer parameters needed in modeling. This past November, the CBP Software Toolbox Version 1.0 was released that supports analysis of external sulfate attack (including damage mechanics), carbonation, and primary constituent leaching. The LeachXS component embodies an extensive material property measurements database along with chemical speciation and reactive mass transport simulation cases with emphasis on leaching of major, trace and radionuclide constituents from cementitious materials used in DOE facilities, such as Saltstone (Savannah River) and Cast Stone (Hanford), tank closure grouts, and barrier concretes. STADIUM focuses on the physical and structural service life of materials and components based on chemical speciation and reactive mass transport of major cement constituents and aggressive species (e.g., chloride, sulfate, etc.). The CBP issued numerous reports and other documentation that accompanied the “Version 1.0” release including a CBP Software Toolbox User Guide and Installation Guide. These documents, as well as, the

  12. The Behaviours of Cementitious Materials in Long Term Storage and Disposal of Radioactive Waste. Results of a Coordinated Research Project

    International Nuclear Information System (INIS)

    2013-09-01

    Radioactive waste with widely varying characteristics is generated from the operation and maintenance of nuclear power plants, nuclear fuel cycle facilities, research laboratories and medical facilities. This waste must be treated and conditioned, as necessary, to provide waste forms acceptable for safe storage and disposal. Many countries use cementitious materials (concrete, mortar, etc.) as a containment matrix for immobilization, as well as for engineered structures of disposal facilities. Radionuclide release is dependent on the physicochemical properties of the waste forms and packages, and on environmental conditions. In the use of cement, the diffusion process and metallic corrosion can induce radionuclide release. The advantage of cementitious materials is the added stability and mechanical support during storage and disposal of waste. Long interim storage is becoming an important issue in countries where it is difficult to implement low level waste and intermediate level waste disposal facilities, and in countries where cement is used in the packaging of waste that is not suitable for shallow land disposal. This coordinated research project (CRP), involving 24 research organizations from 21 Member States, investigated the behaviour and performance of cementitious materials used in an overall waste conditioning system based on the use of cement - including waste packaging (containers), waste immobilization (waste form) and waste backfilling - during long term storage and disposal. It also considered the interactions and interdependencies of these individual elements (containers, waste, form, backfill) to understand the processes that may result in degradation of their physical and chemical properties. The main research outcomes of the CRP are summarized in this report under four topical sections: (i) conventional cementitious systems; (ii) novel cementitious materials and technologies; (iii) testing and waste acceptance criteria; and (iv) modelling long

  13. The Behaviours of Cementitious Materials in Long Term Storage and Disposal of Radioactive Waste. Results of a Coordinated Research Project

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-09-15

    Radioactive waste with widely varying characteristics is generated from the operation and maintenance of nuclear power plants, nuclear fuel cycle facilities, research laboratories and medical facilities. This waste must be treated and conditioned, as necessary, to provide waste forms acceptable for safe storage and disposal. Many countries use cementitious materials (concrete, mortar, etc.) as a containment matrix for immobilization, as well as for engineered structures of disposal facilities. Radionuclide release is dependent on the physicochemical properties of the waste forms and packages, and on environmental conditions. In the use of cement, the diffusion process and metallic corrosion can induce radionuclide release. The advantage of cementitious materials is the added stability and mechanical support during storage and disposal of waste. Long interim storage is becoming an important issue in countries where it is difficult to implement low level waste and intermediate level waste disposal facilities, and in countries where cement is used in the packaging of waste that is not suitable for shallow land disposal. This coordinated research project (CRP), involving 24 research organizations from 21 Member States, investigated the behaviour and performance of cementitious materials used in an overall waste conditioning system based on the use of cement - including waste packaging (containers), waste immobilization (waste form) and waste backfilling - during long term storage and disposal. It also considered the interactions and interdependencies of these individual elements (containers, waste, form, backfill) to understand the processes that may result in degradation of their physical and chemical properties. The main research outcomes of the CRP are summarized in this report under four topical sections: (i) conventional cementitious systems; (ii) novel cementitious materials and technologies; (iii) testing and waste acceptance criteria; and (iv) modelling long

  14. THERMALLY CONDUCTIVE CEMENTITIOUS GROUTS FOR GEOTHERMAL HEAT PUMPS. PROGRESS REPORT BY 1998

    Energy Technology Data Exchange (ETDEWEB)

    ALLAN,M.L.; PHILIPPACOPOULOS,A.J.

    1998-11-01

    Research commenced in FY 97 to determine the suitability of superplasticized cement-sand grouts for backfilling vertical boreholes used with geothermal heat pump (GHP) systems. The overall objectives were to develop, evaluate and demonstrate cementitious grouts that could reduce the required bore length and improve the performance of GHPs. This report summarizes the accomplishments in FY 98.

  15. Calcining natural zeolites to improve their effect on cementitious mixture workability

    International Nuclear Information System (INIS)

    Seraj, Saamiya; Ferron, Raissa D.; Juenger, Maria C.G.

    2016-01-01

    Despite the benefits to long-term concrete durability, the use of natural zeolites as supplementary cementitious materials (SCMs) is uncommon due to their high water demand. The motivation of the research presented here was to better understand how the physical and chemical characteristics of natural zeolites influenced the workability of cementitious mixtures and whether those properties could be modified through calcination to mitigate the high water demand of natural zeolites. In this research, three different natural zeolites were characterized in their original and calcined states using x-ray diffraction (XRD) and Brunauer–Emmett–Teller (BET) surface area measurements. Rheology experiments were then conducted on cementitious pastes containing these natural zeolites, in their original and calcined states, to assess mixture viscosity and yield stress. Results showed that calcination destabilized the structure of the natural zeolites and reduced their surface area, which led to an improvement in mixture viscosity and yield stress.

  16. Multiscale empirical interpolation for solving nonlinear PDEs

    KAUST Repository

    Calo, Victor M.

    2014-12-01

    In this paper, we propose a multiscale empirical interpolation method for solving nonlinear multiscale partial differential equations. The proposed method combines empirical interpolation techniques and local multiscale methods, such as the Generalized Multiscale Finite Element Method (GMsFEM). To solve nonlinear equations, the GMsFEM is used to represent the solution on a coarse grid with multiscale basis functions computed offline. Computing the GMsFEM solution involves calculating the system residuals and Jacobians on the fine grid. We use empirical interpolation concepts to evaluate these residuals and Jacobians of the multiscale system with a computational cost which is proportional to the size of the coarse-scale problem rather than the fully-resolved fine scale one. The empirical interpolation method uses basis functions which are built by sampling the nonlinear function we want to approximate a limited number of times. The coefficients needed for this approximation are computed in the offline stage by inverting an inexpensive linear system. The proposed multiscale empirical interpolation techniques: (1) divide computing the nonlinear function into coarse regions; (2) evaluate contributions of nonlinear functions in each coarse region taking advantage of a reduced-order representation of the solution; and (3) introduce multiscale proper-orthogonal-decomposition techniques to find appropriate interpolation vectors. We demonstrate the effectiveness of the proposed methods on several nonlinear multiscale PDEs that are solved with Newton\\'s methods and fully-implicit time marching schemes. Our numerical results show that the proposed methods provide a robust framework for solving nonlinear multiscale PDEs on a coarse grid with bounded error and significant computational cost reduction.

  17. REVIEW OF MECHANISTIC UNDERSTANDING AND MODELING AND UNCERTAINTY ANALYSIS METHODS FOR PREDICTING CEMENTITIOUS BARRIER PERFORMANCE

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C.; Kosson, D.

    2009-11-30

    Cementitious barriers for nuclear applications are one of the primary controls for preventing or limiting radionuclide release into the environment. At the present time, performance and risk assessments do not fully incorporate the effectiveness of engineered barriers because the processes that influence performance are coupled and complicated. Better understanding the behavior of cementitious barriers is necessary to evaluate and improve the design of materials and structures used for radioactive waste containment, life extension of current nuclear facilities, and design of future nuclear facilities, including those needed for nuclear fuel storage and processing, nuclear power production and waste management. The focus of the Cementitious Barriers Partnership (CBP) literature review is to document the current level of knowledge with respect to: (1) mechanisms and processes that directly influence the performance of cementitious materials (2) methodologies for modeling the performance of these mechanisms and processes and (3) approaches to addressing and quantifying uncertainties associated with performance predictions. This will serve as an important reference document for the professional community responsible for the design and performance assessment of cementitious materials in nuclear applications. This review also provides a multi-disciplinary foundation for identification, research, development and demonstration of improvements in conceptual understanding, measurements and performance modeling that would be lead to significant reductions in the uncertainties and improved confidence in the estimating the long-term performance of cementitious materials in nuclear applications. This report identifies: (1) technology gaps that may be filled by the CBP project and also (2) information and computational methods that are in currently being applied in related fields but have not yet been incorporated into performance assessments of cementitious barriers. The various

  18. Review Of Mechanistic Understanding And Modeling And Uncertainty Analysis Methods For Predicting Cementitious Barrier Performance

    International Nuclear Information System (INIS)

    Langton, C.; Kosson, D.

    2009-01-01

    Cementitious barriers for nuclear applications are one of the primary controls for preventing or limiting radionuclide release into the environment. At the present time, performance and risk assessments do not fully incorporate the effectiveness of engineered barriers because the processes that influence performance are coupled and complicated. Better understanding the behavior of cementitious barriers is necessary to evaluate and improve the design of materials and structures used for radioactive waste containment, life extension of current nuclear facilities, and design of future nuclear facilities, including those needed for nuclear fuel storage and processing, nuclear power production and waste management. The focus of the Cementitious Barriers Partnership (CBP) literature review is to document the current level of knowledge with respect to: (1) mechanisms and processes that directly influence the performance of cementitious materials (2) methodologies for modeling the performance of these mechanisms and processes and (3) approaches to addressing and quantifying uncertainties associated with performance predictions. This will serve as an important reference document for the professional community responsible for the design and performance assessment of cementitious materials in nuclear applications. This review also provides a multi-disciplinary foundation for identification, research, development and demonstration of improvements in conceptual understanding, measurements and performance modeling that would be lead to significant reductions in the uncertainties and improved confidence in the estimating the long-term performance of cementitious materials in nuclear applications. This report identifies: (1) technology gaps that may be filled by the CBP project and also (2) information and computational methods that are in currently being applied in related fields but have not yet been incorporated into performance assessments of cementitious barriers. The various

  19. Chloride diffusion in partially saturated cementitious material

    DEFF Research Database (Denmark)

    Nielsen, Erik Pram; Geiker, Mette Rica

    2003-01-01

    The paper proposes a combined application of composite theory and Powers' model for microstructural development for the estimation of the diffusion coefficient as a function of the moisture content of a defect-free cementitious material. Measurements of chloride diffusion in mortar samples (440 kg...

  20. Overview Of The U.S. Department Of Energy And Nuclear Regulatory Commission Performance Assessment Approaches: Cementitious Barriers Partnership

    International Nuclear Information System (INIS)

    Langton, C.; Burns, H.

    2009-01-01

    Engineered barriers including cementitious barriers are used at sites disposing or contaminated with low-level radioactive waste to enhance performance of the natural environment with respect to controlling the potential spread of contaminants. Drivers for using cementitious barriers include: high radionuclide inventory, radionuclide characteristics (e.g., long half-live, high mobility due to chemical form/speciation, waste matrix properties, shallow water table, and humid climate that provides water for leaching the waste). This document comprises the first in a series of reports being prepared for the Cementitious Barriers Partnership. The document is divided into two parts which provide a summary of: (1) existing experience in the assessment of performance of cementitious materials used for radioactive waste management and disposal and (2) sensitivity and uncertainty analysis approaches that have been applied for assessments. Each chapter is organized into five parts: Introduction, Regulatory Considerations, Specific Examples, Summary of Modeling Approaches and Conclusions and Needs. The objective of the report is to provide perspective on the state of the practice for conducting assessments for facilities involving cementitious barriers and to identify opportunities for improvements to the existing approaches. Examples are provided in two contexts: (1) performance assessments conducted for waste disposal facilities and (2) performance assessment-like analyses (e.g., risk assessments) conducted under other regulatory regimes. The introductory sections of each section provide a perspective on the purpose of performance assessments and different roles of cementitious materials for radioactive waste management. Significant experience with assessments of cementitious materials associated with radioactive waste disposal concepts exists in the US Department of Energy Complex and the commercial nuclear sector. Recently, the desire to close legacy facilities has created

  1. OVERVIEW OF THE U.S. DEPARTMENT OF ENERGY AND NUCLEAR REGULATORY COMMISSION PERFORMANCE ASSESSMENT APPROACHES: CEMENTITIOUS BARRIERS PARTNERSHIP

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C.; Burns, H.

    2009-05-29

    Engineered barriers including cementitious barriers are used at sites disposing or contaminated with low-level radioactive waste to enhance performance of the natural environment with respect to controlling the potential spread of contaminants. Drivers for using cementitious barriers include: high radionuclide inventory, radionuclide characteristics (e.g., long half-live, high mobility due to chemical form/speciation, waste matrix properties, shallow water table, and humid climate that provides water for leaching the waste). This document comprises the first in a series of reports being prepared for the Cementitious Barriers Partnership. The document is divided into two parts which provide a summary of: (1) existing experience in the assessment of performance of cementitious materials used for radioactive waste management and disposal and (2) sensitivity and uncertainty analysis approaches that have been applied for assessments. Each chapter is organized into five parts: Introduction, Regulatory Considerations, Specific Examples, Summary of Modeling Approaches and Conclusions and Needs. The objective of the report is to provide perspective on the state of the practice for conducting assessments for facilities involving cementitious barriers and to identify opportunities for improvements to the existing approaches. Examples are provided in two contexts: (1) performance assessments conducted for waste disposal facilities and (2) performance assessment-like analyses (e.g., risk assessments) conducted under other regulatory regimes. The introductory sections of each section provide a perspective on the purpose of performance assessments and different roles of cementitious materials for radioactive waste management. Significant experience with assessments of cementitious materials associated with radioactive waste disposal concepts exists in the US Department of Energy Complex and the commercial nuclear sector. Recently, the desire to close legacy facilities has created

  2. Multiscale asymmetric orthogonal wavelet kernel for linear programming support vector learning and nonlinear dynamic systems identification.

    Science.gov (United States)

    Lu, Zhao; Sun, Jing; Butts, Kenneth

    2014-05-01

    Support vector regression for approximating nonlinear dynamic systems is more delicate than the approximation of indicator functions in support vector classification, particularly for systems that involve multitudes of time scales in their sampled data. The kernel used for support vector learning determines the class of functions from which a support vector machine can draw its solution, and the choice of kernel significantly influences the performance of a support vector machine. In this paper, to bridge the gap between wavelet multiresolution analysis and kernel learning, the closed-form orthogonal wavelet is exploited to construct new multiscale asymmetric orthogonal wavelet kernels for linear programming support vector learning. The closed-form multiscale orthogonal wavelet kernel provides a systematic framework to implement multiscale kernel learning via dyadic dilations and also enables us to represent complex nonlinear dynamics effectively. To demonstrate the superiority of the proposed multiscale wavelet kernel in identifying complex nonlinear dynamic systems, two case studies are presented that aim at building parallel models on benchmark datasets. The development of parallel models that address the long-term/mid-term prediction issue is more intricate and challenging than the identification of series-parallel models where only one-step ahead prediction is required. Simulation results illustrate the effectiveness of the proposed multiscale kernel learning.

  3. A constrained approach to multiscale stochastic simulation of chemically reacting systems

    KAUST Repository

    Cotter, Simon L.; Zygalakis, Konstantinos C.; Kevrekidis, Ioannis G.; Erban, Radek

    2011-01-01

    Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address

  4. Towards more sustainable construction–application of superabsorbent polymers in cementitious matrices with reduced carbon footprint

    Directory of Open Access Journals (Sweden)

    Klemm Agnieszka J.

    2018-01-01

    Full Text Available Construction industry is constantly searching for sustainable innovations to mitigate negative environmental impacts. Ground granulated blast-furnace slag (GGBS is a well-known supplementary cementitious material which contributes to reduction of energy and CO2 emissions from cement industry. However, its use in cementitious systems leads to materials with high cracking susceptibility due to their greater autogenous shrinkage triggered by self-desiccation processes. This problem is even more pronounced when concrete is exposed to severe dry-hot weather conditions, such as in North Africa. In order to mitigate this negative effect of cracking, internal curing agents in the form of Superabsorbent polymers (SAP can be successfully used. This approach leads to more durable cement based materials and in turn more sustainable constructions.

  5. Multiscale Signal Analysis and Modeling

    CERN Document Server

    Zayed, Ahmed

    2013-01-01

    Multiscale Signal Analysis and Modeling presents recent advances in multiscale analysis and modeling using wavelets and other systems. This book also presents applications in digital signal processing using sampling theory and techniques from various function spaces, filter design, feature extraction and classification, signal and image representation/transmission, coding, nonparametric statistical signal processing, and statistical learning theory. This book also: Discusses recently developed signal modeling techniques, such as the multiscale method for complex time series modeling, multiscale positive density estimations, Bayesian Shrinkage Strategies, and algorithms for data adaptive statistics Introduces new sampling algorithms for multidimensional signal processing Provides comprehensive coverage of wavelets with presentations on waveform design and modeling, wavelet analysis of ECG signals and wavelet filters Reviews features extraction and classification algorithms for multiscale signal and image proce...

  6. Cementitious Composites Engineered with Embedded Carbon Nanotube Thin Films for Enhanced Sensing Performance

    International Nuclear Information System (INIS)

    Loh, Kenneth J; Gonzalez, Jesus

    2015-01-01

    Cementitious composites such as concrete pavements are susceptible to different damage modes, which are primarily caused by repeated loading and long-term deterioration. There is even greater concern that damage could worsen and occur more frequently with the use of heavier vehicles or new aircraft carrying greater payloads. Thus, the objective of this research is to engineer cementitious composites with capabilities of self-sensing or detecting damage. The approach was to enhance the damage sensitivity of cementitious composites by incorporating multi-walled carbon nanotubes (MWNT) as part of the mix design and during casting. However, as opposed to directly dispersing MWNTs in the cement matrix, which is the current state-of-art, MWNT-based thin films were airbrushed and coated onto sand particles. The film-coated sand was then used as part of the mix design for casting mortar specimens. Mortar specimens were subjected to compressive cyclic loading tests while their electrical properties were recorded simultaneously. The results showed that the electrical properties of these cementitious composites designed with film-coated sand exhibited extremely high strain sensitivities. The electrical response was also stable and consistent between specimens. (paper)

  7. Cementitious Composites Engineered with Embedded Carbon Nanotube Thin Films for Enhanced Sensing Performance

    Science.gov (United States)

    Loh, Kenneth J.; Gonzalez, Jesus

    2015-07-01

    Cementitious composites such as concrete pavements are susceptible to different damage modes, which are primarily caused by repeated loading and long-term deterioration. There is even greater concern that damage could worsen and occur more frequently with the use of heavier vehicles or new aircraft carrying greater payloads. Thus, the objective of this research is to engineer cementitious composites with capabilities of self-sensing or detecting damage. The approach was to enhance the damage sensitivity of cementitious composites by incorporating multi-walled carbon nanotubes (MWNT) as part of the mix design and during casting. However, as opposed to directly dispersing MWNTs in the cement matrix, which is the current state-of-art, MWNT-based thin films were airbrushed and coated onto sand particles. The film-coated sand was then used as part of the mix design for casting mortar specimens. Mortar specimens were subjected to compressive cyclic loading tests while their electrical properties were recorded simultaneously. The results showed that the electrical properties of these cementitious composites designed with film-coated sand exhibited extremely high strain sensitivities. The electrical response was also stable and consistent between specimens.

  8. About the possibility of obtaining cementitious soil composites of high strength on the basis of belozems of carbonate composition

    Science.gov (United States)

    Karapetyan, K. A.; Hayroyan, S. G.; Manukyan, E. S.

    2018-04-01

    The problem of manufacturing high strength cementitious soils based on belozems of carbonate composition, which experience compression (no less than 10 MPa), without application of surface active substances is considered. The portland cement of type 400 was used as a binding agent to develop compositions of cementitious soil composites, and the ordinary pipe water was used to obtain solutions of cementitious soils. The chemical and mineralogical composition of the initial ingredients and the granulometric composition of belozems were determined. The measurements showed that the upper and lower plasticity limits, the optimum moisture content, and the maximal density of the skeleton of belozems, as well as the considered compositions of cementitious soils, are insignificant, while the plasticity index of cementitious soils is less than one for belozems. It is experimentally proved that an increase in the portland cement amount lead to an increase in the compressive strength of cementitious soils with a decreasing speed. But for the same amount of portland cement used in the cementitious soil compositions, the values of the strength ratio of the pieces tested at the age of 60 and 28 days remain the same and are approximately equal to 1.2. A comparison of experimental data showed that it seems to be real to manufacture a cementitious soil on the basis of belozems of carbonate composition, which contain 10% of cement of the weight of dry mixture and have strength more than 10 MPa, without adding any surfactants to the material composition.

  9. Final Report - Assessment of Potential Phosphate Ion-Cementitious Materials Interactions

    International Nuclear Information System (INIS)

    Naus, Dan J.; Mattus, Catherine H.; Dole, Leslie Robert

    2007-01-01

    The objectives of this limited study were to: (1) review the potential for degradation of cementitious materials due to exposure to high concentrations of phosphate ions; (2) provide an improved understanding of any significant factors that may lead to a requirement to establish exposure limits for concrete structures exposed to soils or ground waters containing high levels of phosphate ions; (3) recommend, as appropriate, whether a limitation on phosphate ion concentration in soils or ground water is required to avoid degradation of concrete structures; and (4) provide a 'primer' on factors that can affect the durability of concrete materials and structures in nuclear power plants. An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a 'bench-scale' laboratory investigation. Results of these activities indicate that: no harmful interactions occur between phosphates and cementitious materials unless phosphates are present in the form of phosphoric acid; phosphates have been incorporated into concrete as set retarders, and phosphate cements have been used for infrastructure repair; no standards or guidelines exist pertaining to applications of reinforced concrete structures in high-phosphate environments; interactions of phosphate ions and cementitious materials has not been a concern of the research community; and laboratory results indicate similar performance of specimens cured in phosphate solutions and those cured in a calcium hydroxide solution after exposure periods of up to eighteen months. Relative to the 'primer,' a separate NUREG report has been prepared that provides a review of pertinent factors that can affect the durability of nuclear power plant reinforced concrete structures

  10. Final Report - Assessment of Potential Phosphate Ion-Cementitious Materials Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Naus, Dan J [ORNL; Mattus, Catherine H [ORNL; Dole, Leslie Robert [ORNL

    2007-06-01

    The objectives of this limited study were to: (1) review the potential for degradation of cementitious materials due to exposure to high concentrations of phosphate ions; (2) provide an improved understanding of any significant factors that may lead to a requirement to establish exposure limits for concrete structures exposed to soils or ground waters containing high levels of phosphate ions; (3) recommend, as appropriate, whether a limitation on phosphate ion concentration in soils or ground water is required to avoid degradation of concrete structures; and (4) provide a "primer" on factors that can affect the durability of concrete materials and structures in nuclear power plants. An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a "bench-scale" laboratory investigation. Results of these activities indicate that: no harmful interactions occur between phosphates and cementitious materials unless phosphates are present in the form of phosphoric acid; phosphates have been incorporated into concrete as set retarders, and phosphate cements have been used for infrastructure repair; no standards or guidelines exist pertaining to applications of reinforced concrete structures in high-phosphate environments; interactions of phosphate ions and cementitious materials has not been a concern of the research community; and laboratory results indicate similar performance of specimens cured in phosphate solutions and those cured in a calcium hydroxide solution after exposure periods of up to eighteen months. Relative to the "primer," a separate NUREG report has been prepared that provides a review of pertinent factors that can affect the durability of nuclear power plant reinforced concrete structures.

  11. Numerical Simulation of Early Age Cracking of Reinforced Concrete Bridge Decks with a Full-3D Multiscale and Multi-Chemo-Physical Integrated Analysis

    Directory of Open Access Journals (Sweden)

    Tetsuya Ishida

    2018-03-01

    Full Text Available In November 2011, the Japanese government resolved to build “Revival Roads” in the Tohoku region to accelerate the recovery from the Great East Japan Earthquake of March 2011. Because the Tohoku region experiences such cold and snowy weather in winter, complex degradation from a combination of frost damage, chloride attack from de-icing agents, alkali–silica reaction, cracking and fatigue is anticipated. Thus, to enhance the durability performance of road structures, particularly reinforced concrete (RC bridge decks, multiple countermeasures are proposed: a low water-to-cement ratio in the mix, mineral admixtures such as ground granulated blast furnace slag and/or fly ash to mitigate the risks of chloride attack and alkali–silica reaction, anticorrosion rebar and 6% entrained air for frost damage. It should be noted here that such high durability specifications may conversely increase the risk of early age cracking caused by temperature and shrinkage due to the large amounts of cement and the use of mineral admixtures. Against this background, this paper presents a numerical simulation of early age deformation and cracking of RC bridge decks with full 3D multiscale and multi-chemo-physical integrated analysis. First, a multiscale constitutive model of solidifying cementitious materials is briefly introduced based on systematic knowledge coupling microscopic thermodynamic phenomena and microscopic structural mechanics. With the aim to assess the early age thermal and shrinkage-induced cracks on real bridge deck, the study began with extensive model validations by applying the multiscale and multi-physical integrated analysis system to small specimens and mock-up RC bridge deck specimens. Then, through the application of the current computational system, factors that affect the generation and propagation of early age thermal and shrinkage-induced cracks are identified via experimental validation and full-scale numerical simulation on real

  12. Effect of different dispersants in compressive strength of carbon fiber cementitious composites

    Science.gov (United States)

    Lestari, Yulinda; Bahri, Saiful; Sugiarti, Eni; Ramadhan, Gilang; Akbar, Ari Yustisia; Martides, Erie; Khaerudini, Deni S.

    2013-09-01

    Carbon Fiber Cementitious Composites (CFCC) is one of the most important materials in smart concrete applications. CFCC should be able to have the piezoresistivity properties where its resistivity changes when there is applied a stress/strain. It must also have the compressive strength qualification. One of the important additives in carbon fiber cementitious composites is dispersant. Dispersion of carbon fiber is one of the key problems in fabricating piezoresistive carbon fiber cementitious composites. In this research, the uses of dispersants are methylcellulose, mixture of defoamer and methylcellulose and superplasticizer based polycarboxylate. The preparation of composite samples is similar as in the mortar technique according to the ASTM C 109/109M standard. The additives material are PAN type carbon fibers, methylcellulose, defoamer and superplasticizer (as water reducer and dispersant). The experimental testing conducts the compressive strength and resistivity at various curing time, i.e. 3, 7 and 28 days. The results obtained that the highest compressive strength value in is for the mortar using superplasticizer based polycarboxylate dispersant. This also shown that the distribution of carbon fiber with superplasticizer is more effective, since not reacting with the cementitious material which was different from the methylcellulose that creates the cement hydration reaction. The research also found that the CFCC require the proper water cement ratio otherwise the compressive strength becomes lower.

  13. A constrained approach to multiscale stochastic simulation of chemically reacting systems

    KAUST Repository

    Cotter, Simon L.

    2011-01-01

    Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address this problem, assuming that the evolution of the slow species in the system is well approximated by a Langevin process. It is based on the conditional stochastic simulation algorithm (CSSA) which samples from the conditional distribution of the suitably defined fast variables, given values for the slow variables. In the constrained multiscale algorithm (CMA) a single realization of the CSSA is then used for each value of the slow variable to approximate the effective drift and diffusion terms, in a similar manner to the constrained mean-force computations in other applications such as molecular dynamics. We then show how using the ensuing Fokker-Planck equation approximation, we can in turn approximate average switching times in stochastic chemical systems. © 2011 American Institute of Physics.

  14. Transport properties of damaged materials. Cementitious barriers partnership

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2014-11-01

    The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low-level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure does not necessarily create additional pore space in

  15. Transport properties of damaged materials. Cementitious barriers partnership

    International Nuclear Information System (INIS)

    Langton, C.

    2014-01-01

    The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low-level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure does not necessarily create additional pore space in

  16. Electrochemical migration technique to accelerate ageing of cementitious materials

    Directory of Open Access Journals (Sweden)

    Abbas Z.

    2013-07-01

    Full Text Available Durability assessment of concrete structures for constructions in nuclear waste repositories requires long term service life predictions. As deposition of low and intermediate level radioactive waste (LILW takes up to 100 000 years, it is necessary to analyze the service life of cementitious materials in this time perspective. Using acceleration methods producing aged specimens would decrease the need of extrapolating short term data sets. Laboratory methods are therefore, needed for accelerating the ageing process without making any influencing distortion in the properties of the materials. This paper presents an electro-chemical migration method to increase the rate of calcium leaching from cementitious specimens. This method is developed based on the fact that major long term deterioration process of hardened cement paste in concrete structures for deposition of LILW is due to slow diffusion of calcium ions. In this method the cementitious specimen is placed in an electrochemical cell as a porous path way through which ions can migrate at a rate far higher than diffusion process. The electrical field is applied to the cell in a way to accelerate the ion migration without making destructions in the specimen’s micro and macroscopic properties. The anolyte and catholyte solutions are designed favoring dissolution of calcium hydroxide and compensating for the leached calcium ions with another ion like lithium.

  17. Electrochemical migration technique to accelerate ageing of cementitious materials

    Science.gov (United States)

    Babaahmadi, A.; Tang, L.; Abbas, Z.

    2013-07-01

    Durability assessment of concrete structures for constructions in nuclear waste repositories requires long term service life predictions. As deposition of low and intermediate level radioactive waste (LILW) takes up to 100 000 years, it is necessary to analyze the service life of cementitious materials in this time perspective. Using acceleration methods producing aged specimens would decrease the need of extrapolating short term data sets. Laboratory methods are therefore, needed for accelerating the ageing process without making any influencing distortion in the properties of the materials. This paper presents an electro-chemical migration method to increase the rate of calcium leaching from cementitious specimens. This method is developed based on the fact that major long term deterioration process of hardened cement paste in concrete structures for deposition of LILW is due to slow diffusion of calcium ions. In this method the cementitious specimen is placed in an electrochemical cell as a porous path way through which ions can migrate at a rate far higher than diffusion process. The electrical field is applied to the cell in a way to accelerate the ion migration without making destructions in the specimen's micro and macroscopic properties. The anolyte and catholyte solutions are designed favoring dissolution of calcium hydroxide and compensating for the leached calcium ions with another ion like lithium.

  18. Thermodynamics of Autogenous Self-healing in Cementitious Materials

    NARCIS (Netherlands)

    Huang, H.

    2014-01-01

    Concrete is a brittle composite cementitious material that easily fractures under tensile loading. Microcracks can appear throughout the concrete prior to application of any load because of temperature-induced strain and autogenous and drying shrinkage. There is no doubt that these cracks provide

  19. Cementitious Barriers Partnership - FY2015 End-Year Report

    International Nuclear Information System (INIS)

    Burns, H. H.; Flach, G. P.; Langton, C. A.; Smith, F. G.; Kosson, D. S.; Meeussen, J. C. L.; Seignette, Paul; Van der Sloot, H. A.

    2015-01-01

    The DOE-EM Office of Tank Waste Management Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. Therefore, the CBP ultimate purpose is to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex. This status report highlights the CBP 2015 Software and Experimental Program efforts and accomplishments that support DOE needs in environmental cleanup and waste disposal. DOE needs in this area include: Long-term performance predictions to provide credibility (i.e., a defensible technical basis) for regulator and DOE review and approvals, Facility flow sheet development/enhancements, and Conceptual designs for new disposal facilities. In 2015, the CBP developed a beta release of the CBP Software Toolbox - ''Version 3.0'', which includes new STADIUM carbonation and damage models, a new SRNL module for estimating hydraulic properties and flow in fractured and intact cementitious materials, and a new LeachXS/ORCHESTRA (LXO) oxidation module. In addition, the STADIUM sulfate attack and chloride models have been improved as well as the LXO modules for sulfate attack, carbonation, constituent leaching, and percolation with radial diffusion (for leaching and transport in cracked cementitious materials). These STADIUM and LXO models are applicable to and can be used by both DOE and the Nuclear Regulatory Commission (NRC) end-users for service life prediction and long-term leaching evaluations of radioactive waste containment structures across the DOE complex.

  20. Cementitious Barriers Partnership - FY2015 End-Year Report

    Energy Technology Data Exchange (ETDEWEB)

    Burns, H. H. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Flach, G. P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Langton, C. A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Smith, F. G. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Kosson, D. S. [Vanderbilt Univ., Nashville, TN (United States). School of Engineering; Brown, K. G. [Vanderbilt Univ., Nashville, TN (United States). School of Engineering; Samson, E. [SIMCO Technologies, Inc., QC (Canada); Meeussen, J. C. L. [Nuclear Research and Consultancy Group (NRG); Seignette, Paul [Energy Research Center of the Netherlands; van der Sloot, H. A. [Hans van der Sloot Consultancy

    2015-09-17

    The DOE-EM Office of Tank Waste Management Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. Therefore, the CBP ultimate purpose is to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex. This status report highlights the CBP 2015 Software and Experimental Program efforts and accomplishments that support DOE needs in environmental cleanup and waste disposal. DOE needs in this area include: Long-term performance predictions to provide credibility (i.e., a defensible technical basis) for regulator and DOE review and approvals, Facility flow sheet development/enhancements, and Conceptual designs for new disposal facilities. In 2015, the CBP developed a beta release of the CBP Software Toolbox – “Version 3.0”, which includes new STADIUM carbonation and damage models, a new SRNL module for estimating hydraulic properties and flow in fractured and intact cementitious materials, and a new LeachXS/ORCHESTRA (LXO) oxidation module. In addition, the STADIUM sulfate attack and chloride models have been improved as well as the LXO modules for sulfate attack, carbonation, constituent leaching, and percolation with radial diffusion (for leaching and transport in cracked cementitious materials). These STADIUM and LXO models are applicable to and can be used by both DOE and the Nuclear Regulatory Commission (NRC) end-users for service life prediction and long-term leaching evaluations of radioactive waste containment structures across the DOE complex.

  1. Water absorption of superabsorbent polymers in a cementitious environment

    DEFF Research Database (Denmark)

    Jensen, Ole Mejlhede

    2011-01-01

    This paper focuses on the water absorption of superabsorbent polymers in a cementitious environment. The paper discusses different techniques to measure the water absorption capacity, and in particular it describes a technique which enables a simple and quick estimation of the water absorption...... capacity in a cementitious environment. The challenges met in defining the concept of water absorption capacity are treated, and the appropriateness of different types of superabsorbent polymers is also briefly dealt with. The concept “water absorption capacity” and its measurement seem straightforwardly...... simple, but a closer examination of the topic discloses many, significant difficulties. However, given proper cautiousness it is possible both to quickly estimate the water absorption capacity through a simple measurement as well as to examine how it will be influenced by different factors....

  2. Progress in Research on Carbon Nanotubes Reinforced Cementitious Composites

    Directory of Open Access Journals (Sweden)

    Qinghua Li

    2015-01-01

    Full Text Available As one-dimensional (1D nanofiber, carbon nanotubes (CNTs have been widely used to improve the performance of nanocomposites due to their high strength, small dimensions, and remarkable physical properties. Progress in the field of CNTs presents a potential opportunity to enhance cementitious composites at the nanoscale. In this review, current research activities and key advances on multiwalled carbon nanotubes (MWCNTs reinforced cementitious composites are summarized, including the effect of MWCNTs on modulus of elasticity, porosity, fracture, and mechanical and microstructure properties of cement-based composites. The issues about the improvement mechanisms, MWCNTs dispersion methods, and the major factors affecting the mechanical properties of composites are discussed. In addition, large-scale production methods of MWCNTs and the effects of CNTs on environment and health are also summarized.

  3. Cementitious Barriers Partnership (CBP): Training and Release of CBP Toolbox Software, Version 1.0 - 13480

    International Nuclear Information System (INIS)

    Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.; Sarkar, S.; Flach, G.; Langton, C.; Smith, F.G. III; Burns, H.; Van der Sloot, H.; Meeussen, J.C.L.; Samson, E.; Mallick, P.; Suttora, L.; Esh, D.; Fuhrmann, M.; Philip, J.

    2013-01-01

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the Office of Tank Waste Management within the Office of Environmental Management of U.S. Department of Energy (US DOE). The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that improve understanding and predictions of the long-term hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program are intended to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to or longer than 100 years for operating facilities and longer than 1,000 years for waste management purposes. CBP software tools were made available to selected DOE Office of Environmental Management and field site users for training and evaluation based on a set of important degradation scenarios, including sulfate ingress/attack and carbonation of cementitious materials. The tools were presented at two-day training workshops held at U.S. National Institute of Standards and Technology (NIST), Savannah River, and Hanford included LeachXS TM /ORCHESTRA, STADIUM R , and a CBP-developed GoldSim Dashboard interface. Collectively, these components form the CBP Software Toolbox. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF) were also presented. The CBP Dashboard uses a custom Dynamic-link library developed by CBP to couple to the LeachXS TM /ORCHESTRA and STADIUM R codes to simulate reactive transport and degradation in cementitious materials for selected performance assessment scenarios. The first day of the workshop introduced participants to the software components via presentation materials, and the second day included hands-on tutorial exercises followed by discussions

  4. Innovative Structural Materials and Sections with Strain Hardening Cementitious Composites

    Science.gov (United States)

    Dey, Vikram

    The motivation of this work is based on development of new construction products with strain hardening cementitious composites (SHCC) geared towards sustainable residential applications. The proposed research has three main objectives: automation of existing manufacturing systems for SHCC laminates; multi-level characterization of mechanical properties of fiber, matrix, interface and composites phases using servo-hydraulic and digital image correlation techniques. Structural behavior of these systems were predicted using ductility based design procedures using classical laminate theory and structural mechanics. SHCC sections are made up of thin sections of matrix with Portland cement based binder and fine aggregates impregnating continuous one-dimensional fibers in individual or bundle form or two/three dimensional woven, bonded or knitted textiles. Traditional fiber reinforced concrete (FRC) use random dispersed chopped fibers in the matrix at a low volume fractions, typically 1-2% to avoid to avoid fiber agglomeration and balling. In conventional FRC, fracture localization occurs immediately after the first crack, resulting in only minor improvement in toughness and tensile strength. However in SHCC systems, distribution of cracking throughout the specimen is facilitated by the fiber bridging mechanism. Influence of material properties of yarn, composition, geometry and weave patterns of textile in the behavior of laminated SHCC skin composites were investigated. Contribution of the cementitious matrix in the early age and long-term performance of laminated composites was studied with supplementary cementitious materials such as fly ash, silica fume, and wollastonite. A closed form model with classical laminate theory and ply discount method, coupled with a damage evolution model was utilized to simulate the non-linear tensile response of these composite materials. A constitutive material model developed earlier in the group was utilized to characterize and

  5. Front-end vision and multi-scale image analysis multi-scale computer vision theory and applications, written in Mathematica

    CERN Document Server

    Romeny, Bart M Haar

    2008-01-01

    Front-End Vision and Multi-Scale Image Analysis is a tutorial in multi-scale methods for computer vision and image processing. It builds on the cross fertilization between human visual perception and multi-scale computer vision (`scale-space') theory and applications. The multi-scale strategies recognized in the first stages of the human visual system are carefully examined, and taken as inspiration for the many geometric methods discussed. All chapters are written in Mathematica, a spectacular high-level language for symbolic and numerical manipulations. The book presents a new and effective

  6. Applications of graphite-enabled phase change material composites to improve thermal performance of cementitious materials

    Science.gov (United States)

    Li, Mingli; Lin, Zhibin; Wu, Lili; Wang, Jinhui; Gong, Na

    2017-11-01

    Enhancing the thermal efficiency to decrease the energy consumption of structures has been the topic of much research. In this study, a graphite-enabled microencapsulated phase change material (GE-MEPCM) was used in the production of a novel thermal energy storage engineered cementitious composite feathering high heat storage capacity and enhanced thermal conductivity. The surface morphology and particle size of the microencapsulated phase change material (MEPCM) were investigated by scanning electron microscopy (SEM). Thermal properties of MEPCM was determined using differential scanning calorimetry (DSC). In addition, thermal and mechanical properties of the cementitious mortar with different admixtures were explored and compared with those of a cementitious composite. It was shown that the latent heat of MEPCM was 162 J/g, offering much better thermal energy storage capacity to the cementitious composite. However, MEPCM was found to decrease the thermal conductivity of the composite, which can be effectively solved by adding natural graphite (NG). Moreover, the incorporation of MEPCM has a certain decrease in the compressive strength, mainly due to the weak interfaces between MEPCM and cement matrix.

  7. Variability Of KD Values In Cementitious Materials And Sediments

    International Nuclear Information System (INIS)

    Almond, P.; Kaplan, D.; Shine, E.

    2012-01-01

    Measured distribution coefficients (K d values) for environmental contaminants provide input data for performance assessments (PA) that evaluate physical and chemical phenomena for release of radionuclides from wasteforms, degradation of engineered components and subsequent transport of radionuclides through environmental media. Research efforts at SRNL to study the effects of formulation and curing variability on the physiochemical properties of the saltstone wasteform produced at the Saltstone Disposal Facility (SDF) are ongoing and provide information for the PA and Saltstone Operations. Furthermore, the range and distribution of plutonium K d values in soils is not known. Knowledge of these parameters is needed to provide guidance for stochastic modeling in the PA. Under the current SRS liquid waste processing system, supernate from F and H Tank Farm tanks is processed to remove actinides and fission products, resulting in a low-curie Decontaminated Salt Solution (DSS). At the Saltstone Production Facility (SPF), DSS is mixed with premix, comprised of blast furnace slag (BFS), Class F fly ash (FA), and portland cement (OPC) to form a grout mixture. The fresh grout is subsequently placed in SDF vaults where it cures through hydration reactions to produce saltstone, a hardened monolithic waste form. Variation in saltstone composition and cure conditions of grout can affect the saltstone's physiochemical properties. Variations in properties may originate from variables in DSS, premix, and water to premix ratio, grout mixing, placing, and curing conditions including time and temperature (Harbour et al. 2007; Harbour et al. 2009). There are no previous studies reported in the literature regarding the range and distribution of K d values in cementitious materials. Presently, the Savannah River Site (SRS) estimate ranges and distributions of K d values based on measurements of K d values made in sandy SRS sediments (Kaplan 2010). The actual cementitious material K d

  8. Cellulose nanomaterials as additives for cementitious materials

    Science.gov (United States)

    Tengfei Fu; Robert J. Moon; Pablo Zavatierri; Jeffrey Youngblood; William Jason Weiss

    2017-01-01

    Cementitious materials cover a very broad area of industries/products (buildings, streets and highways, water and waste management, and many others; see Fig. 20.1). Annual production of cements is on the order of 4 billion metric tons [2]. In general these industries want stronger, cheaper, more durable concrete, with faster setting times, faster rates of strength gain...

  9. Distributed multiscale computing

    NARCIS (Netherlands)

    Borgdorff, J.

    2014-01-01

    Multiscale models combine knowledge, data, and hypotheses from different scales. Simulating a multiscale model often requires extensive computation. This thesis evaluates distributing these computations, an approach termed distributed multiscale computing (DMC). First, the process of multiscale

  10. Relating system-to-CFD coupled code analyses to theoretical framework of a multi-scale method

    International Nuclear Information System (INIS)

    Cadinu, F.; Kozlowski, T.; Dinh, T.N.

    2007-01-01

    Over past decades, analyses of transient processes and accidents in a nuclear power plant have been performed, to a significant extent and with a great success, by means of so called system codes, e.g. RELAP5, CATHARE, ATHLET codes. These computer codes, based on a multi-fluid model of two-phase flow, provide an effective, one-dimensional description of the coolant thermal-hydraulics in the reactor system. For some components in the system, wherever needed, the effect of multi-dimensional flow is accounted for through approximate models. The later are derived from scaled experiments conducted for selected accident scenarios. Increasingly, however, we have to deal with newer and ever more complex accident scenarios. In some such cases the system codes fail to serve as simulation vehicle, largely due to its deficient treatment of multi-dimensional flow (in e.g. downcomer, lower plenum). A possible way of improvement is to use the techniques of Computational Fluid Dynamics (CFD). Based on solving Navier-Stokes equations, CFD codes have been developed and used, broadly, to perform analysis of multi-dimensional flow, dominantly in non-nuclear industry and for single-phase flow applications. It is clear that CFD simulations can not substitute system codes but just complement them. Given the intrinsic multi-scale nature of this problem, we propose to relate it to the more general field of research on multi-scale simulations. Even though multi-scale methods are developed on case-by-case basis, the need for a unified framework brought to the development of the heterogeneous multi-scale method (HMM)

  11. Multiscale Simulations Using Particles

    DEFF Research Database (Denmark)

    Walther, Jens Honore

    vortex methods for problems in continuum fluid dynamics, dissipative particle dynamics for flow at the meso scale, and atomistic molecular dynamics simulations of nanofluidic systems. We employ multiscale techniques to breach the atomistic and continuum scales to study fundamental problems in fluid...... dynamics. Recent work on the thermophoretic motion of water nanodroplets confined inside carbon nanotubes, and multiscale techniques for polar liquids will be discussed in detail at the symposium....

  12. Diagnosing Disaster Resilience of Communities as Multi-scale Complex Socio-ecological Systems

    Science.gov (United States)

    Liu, Wei; Mochizuki, Junko; Keating, Adriana; Mechler, Reinhard; Williges, Keith; Hochrainer, Stefan

    2014-05-01

    Global environmental change, growing anthropogenic influence, and increasing globalisation of society have made it clear that disaster vulnerability and resilience of communities cannot be understood without knowledge on the broader social-ecological system in which they are embedded. We propose a framework for diagnosing community resilience to disasters, as a form of disturbance to social-ecological systems, with feedbacks from the local to the global scale. Inspired by iterative multi-scale analysis employed by Resilience Alliance, the related socio-ecological systems framework of Ostrom, and the sustainable livelihood framework, we developed a multi-tier framework for thinking of communities as multi-scale social-ecological systems and analyzing communities' disaster resilience and also general resilience. We highlight the cross-scale influences and feedbacks on communities that exist from lower (e.g., household) to higher (e.g., regional, national) scales. The conceptual framework is then applied to a real-world resilience assessment situation, to illustrate how key components of socio-ecological systems, including natural hazards, natural and man-made environment, and community capacities can be delineated and analyzed.

  13. Multivariate and multiscale data assimilation in terrestrial systems: a review.

    Science.gov (United States)

    Montzka, Carsten; Pauwels, Valentijn R N; Franssen, Harrie-Jan Hendricks; Han, Xujun; Vereecken, Harry

    2012-11-26

    More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA) methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF), Particle Filter (PF) and variational methods (3/4D-VAR). In this review, we distinguish between four major DA approaches: (1) univariate single-scale DA (UVSS), which is the approach used in the majority of published DA applications, (2) univariate multiscale DA (UVMS) referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3) multivariate single-scale DA (MVSS) dealing with the assimilation of at least two different data types, and (4) combined multivariate multiscale DA (MVMS). Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a

  14. Multivariate and Multiscale Data Assimilation in Terrestrial Systems: A Review

    Directory of Open Access Journals (Sweden)

    Harry Vereecken

    2012-11-01

    Full Text Available More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF, Particle Filter (PF and variational methods (3/4D-VAR. In this review, we distinguish between four major DA approaches: (1 univariate single-scale DA (UVSS, which is the approach used in the majority of published DA applications, (2 univariate multiscale DA (UVMS referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3 multivariate single-scale DA (MVSS dealing with the assimilation of at least two different data types, and (4 combined multivariate multiscale DA (MVMS. Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a

  15. Mechanical Properties of High Performance Cementitious Grout (II)

    DEFF Research Database (Denmark)

    Sørensen, Eigil V.

    The present report is an update of the report “Mechanical Properties of High Performance Cementitious Grout (I)” [1] and describes tests carried out on the high performance grout MASTERFLOW 9500, marked “WMG 7145 FP”, developed by BASF Construction Chemicals A/S and designed for use in grouted...

  16. Degradation Of Cementitious Materials Associated With Saltstone Disposal Units

    International Nuclear Information System (INIS)

    Flach, G. P; Smith, F. G. III

    2013-01-01

    The Saltstone facilities at the DOE Savannah River Site (SRS) stabilize and dispose of low-level radioactive salt solution originating from liquid waste storage tanks at the site. The Saltstone Production Facility (SPF) receives treated salt solution and mixes the aqueous waste with dry cement, blast furnace slag, and fly ash to form a grout slurry which is mechanically pumped into concrete disposal cells that compose the Saltstone Disposal Facility (SDF). The solidified grout is termed ''saltstone''. Cementitious materials play a prominent role in the design and long-term performance of the SDF. The saltstone grout exhibits low permeability and diffusivity, and thus represents a physical barrier to waste release. The waste form is also reducing, which creates a chemical barrier to waste release for certain key radionuclides, notably Tc-99. Similarly, the concrete shell of an SDF disposal unit (SDU) represents an additional physical and chemical barrier to radionuclide release to the environment. Together the waste form and the SDU compose a robust containment structure at the time of facility closure. However, the physical and chemical state of cementitious materials will evolve over time through a variety of phenomena, leading to degraded barrier performance over Performance Assessment (PA) timescales of thousands to tens of thousands of years. Previous studies of cementitious material degradation in the context of low-level waste disposal have identified sulfate attack, carbonation influenced steel corrosion, and decalcification (primary constituent leaching) as the primary chemical degradation phenomena of most relevance to SRS exposure conditions. In this study, degradation time scales for each of these three degradation phenomena are estimated for saltstone and concrete associated with each SDU type under conservative, nominal, and best estimate assumptions. The nominal value (NV) is an intermediate result that is more probable than the conservative estimate

  17. Degradation Of Cementitious Materials Associated With Saltstone Disposal Units

    Energy Technology Data Exchange (ETDEWEB)

    Flach, G. P; Smith, F. G. III

    2013-03-19

    The Saltstone facilities at the DOE Savannah River Site (SRS) stabilize and dispose of low-level radioactive salt solution originating from liquid waste storage tanks at the site. The Saltstone Production Facility (SPF) receives treated salt solution and mixes the aqueous waste with dry cement, blast furnace slag, and fly ash to form a grout slurry which is mechanically pumped into concrete disposal cells that compose the Saltstone Disposal Facility (SDF). The solidified grout is termed “saltstone”. Cementitious materials play a prominent role in the design and long-term performance of the SDF. The saltstone grout exhibits low permeability and diffusivity, and thus represents a physical barrier to waste release. The waste form is also reducing, which creates a chemical barrier to waste release for certain key radionuclides, notably Tc-99. Similarly, the concrete shell of an SDF disposal unit (SDU) represents an additional physical and chemical barrier to radionuclide release to the environment. Together the waste form and the SDU compose a robust containment structure at the time of facility closure. However, the physical and chemical state of cementitious materials will evolve over time through a variety of phenomena, leading to degraded barrier performance over Performance Assessment (PA) timescales of thousands to tens of thousands of years. Previous studies of cementitious material degradation in the context of low-level waste disposal have identified sulfate attack, carbonation influenced steel corrosion, and decalcification (primary constituent leaching) as the primary chemical degradation phenomena of most relevance to SRS exposure conditions. In this study, degradation time scales for each of these three degradation phenomena are estimated for saltstone and concrete associated with each SDU type under conservative, nominal, and best estimate assumptions. The nominal value (NV) is an intermediate result that is more probable than the conservative

  18. Development and Demonstration of Material Properties Database and Software for the Simulation of Flow Properties in Cementitious Materials

    Energy Technology Data Exchange (ETDEWEB)

    Smith, F. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Flach, G. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-03-30

    This report describes work performed by the Savannah River National Laboratory (SRNL) in fiscal year 2014 to develop a new Cementitious Barriers Project (CBP) software module designated as FLOExcel. FLOExcel incorporates a uniform database to capture material characterization data and a GoldSim model to define flow properties for both intact and fractured cementitious materials and estimate Darcy velocity based on specified hydraulic head gradient and matric tension. The software module includes hydraulic parameters for intact cementitious and granular materials in the database and a standalone GoldSim framework to manipulate the data. The database will be updated with new data as it comes available. The software module will later be integrated into the next release of the CBP Toolbox, Version 3.0. This report documents the development efforts for this software module. The FY14 activities described in this report focused on the following two items that form the FLOExcel package; 1) Development of a uniform database to capture CBP data for cementitious materials. In particular, the inclusion and use of hydraulic properties of the materials are emphasized; and 2) Development of algorithms and a GoldSim User Interface to calculate hydraulic flow properties of degraded and fractured cementitious materials. Hydraulic properties are required in a simulation of flow through cementitious materials such as Saltstone, waste tank fill grout, and concrete barriers. At SRNL these simulations have been performed using the PORFLOW code as part of Performance Assessments for salt waste disposal and waste tank closure.

  19. CEMENTITIOUS BARRIERS MODELING FOR PERFORMANCE ASSESSMENTS OF SHALLOW LAND BURIAL OF LOW LEVEL RADIOACTIVE WASTE - 9243

    International Nuclear Information System (INIS)

    Taylor, G.

    2009-01-01

    The Cementitious Barriers Partnership (CBP) was created to develop predictive capabilities for the aging of cementitious barriers over long timeframes. The CBP is a multi-agency, multi-national consortium working under a U.S. Department of Energy (DOE) Environmental Management (EM-21) funded Cooperative Research and Development Agreement (CRADA) with the Savannah River National Laboratory (SRNL) as the lead laboratory. Members of the CBP are SRNL, Vanderbilt University, the U.S. Nuclear Regulatory Commission (USNRC), National Institute of Standards and Technology (NIST), SIMCO Technologies, Inc. (Canada), and the Energy Research Centre of the Netherlands (ECN). A first step in developing advanced tools is to determine the current state-of-the-art. A review has been undertaken to assess the treatment of cementitious barriers in Performance Assessments (PA). Representatives of US DOE sites which have PAs for their low level waste disposal facilities were contacted. These sites are the Idaho National Laboratory, Oak Ridge National Laboratory, Los Alamos National Laboratory, Nevada Test Site, and Hanford. Several of the more arid sites did not employ cementitious barriers. Of those sites which do employ cementitious barriers, a wide range of treatment of the barriers in a PA was present. Some sites used conservative, simplistic models that even though conservative still showed compliance with disposal limits. Other sites used much more detailed models to demonstrate compliance. These more detailed models tend to be correlation-based rather than mechanistically-based. With the US DOE's Low Level Waste Disposal Federal Review Group (LFRG) moving towards embracing a risk-based, best estimate with an uncertainties type of analysis, the conservative treatment of the cementitious barriers seems to be obviated. The CBP is creating a tool that adheres to the LFRG chairman's paradigm of continuous improvement

  20. Sustainable design and manufacturing of multifunctional polymer nanocomposite coatings: A multiscale systems approach

    Science.gov (United States)

    Xiao, Jie

    Polymer nanocomposites have a great potential to be a dominant coating material in a wide range of applications in the automotive, aerospace, ship-making, construction, and pharmaceutical industries. However, how to realize design sustainability of this type of nanostructured materials and how to ensure the true optimality of the product quality and process performance in coating manufacturing remain as a mountaintop area. The major challenges arise from the intrinsic multiscale nature of the material-process-product system and the need to manipulate the high levels of complexity and uncertainty in design and manufacturing processes. This research centers on the development of a comprehensive multiscale computational methodology and a computer-aided tool set that can facilitate multifunctional nanocoating design and application from novel function envisioning and idea refinement, to knowledge discovery and design solution derivation, and further to performance testing in industrial applications and life cycle analysis. The principal idea is to achieve exceptional system performance through concurrent characterization and optimization of materials, product and associated manufacturing processes covering a wide range of length and time scales. Multiscale modeling and simulation techniques ranging from microscopic molecular modeling to classical continuum modeling are seamlessly coupled. The tight integration of different methods and theories at individual scales allows the prediction of macroscopic coating performance from the fundamental molecular behavior. Goal-oriented design is also pursued by integrating additional methods for bio-inspired dynamic optimization and computational task management that can be implemented in a hierarchical computing architecture. Furthermore, multiscale systems methodologies are developed to achieve the best possible material application towards sustainable manufacturing. Automotive coating manufacturing, that involves paint spay and

  1. Self-cementitious properties of fly ashes from CFBC boilers co-firing coal and high-sulphur petroleum coke

    International Nuclear Information System (INIS)

    Sheng Guanghong; Li Qin; Zhai Jianping; Li Feihu

    2007-01-01

    Self-cementitious properties of fly ash from circulating fluidized bed combustion boiler co-firing coal and high-sulphur petroleum coke (CPFA) were investigated. CPFA was self-cementitious which was affected by its fineness and chemical compositions, especially the contents of SO 3 and free lime (f-CaO). Higher contents of SO 3 and f-CaO were beneficial to self-cementitious strength; the self-cementitious strength increases with a decrease of its 45 μm sieve residue. The expansive ratio of CPFA hardened paste was high because of generation of ettringite (AFt), which was influenced by its water to binder ratio (W/A), curing style and grinding of the ash. The paste cured in water had the highest expansive ratio, and grinding of CPFA was beneficial to its volume stability. The hydration products of CPFA detected by X-ray diffraction (XRD) and scanning electron microscopy (SEM) were portlandite, gypsum, AFt and hydrated calcium silicate (C-S-H)

  2. Impact of cementitious materials decalcification on transfer properties: application to radioactive waste deep repository

    International Nuclear Information System (INIS)

    Perlot, C.

    2005-09-01

    Cementitious materials have been selected to compose the engineering barrier system (EBS) of the French radioactive waste deep repository, because of concrete physico-chemical properties: the hydrates of the cementitious matrix and the pH of the pore solution contribute to radionuclides retention; furthermore the compactness of these materials limits elements transport. The confinement capacity of the system has to be assessed while a period at least equivalent to waste activity (up to 100.000 years). His durability was sustained by the evolution of transfer properties in accordance with cementitious materials decalcification, alteration that expresses structure long-term behavior. Then, two degradation modes were carried out, taking into account the different physical and chemical solicitations imposed by the host formation. The first mode, a static one, was an accelerated decalcification test using nitrate ammonium solution. It replicates the EBS alteration dues to underground water. Degradation kinetic was estimated by the amount of calcium leached and the measurement of the calcium hydroxide dissolution front. To evaluate the decalcification impact, samples were characterized before and after degradation in term of microstructure (porosity, pores size distribution) and of transfer properties (diffusivity, gas and water permeability). The influence of cement nature (ordinary Portland cement, blended cement) and aggregates type (lime or siliceous) was observed: experiments were repeated on different mortars mixes. On this occasion, an essential reflection on this test metrology was led. The second mode, a dynamical degradation, was performed with an environmental permeameter. It recreates the EBS solicitations ensured during the re-saturation period, distinguished by the hydraulic pressure imposed by the geologic layer and the waste exothermicity. This apparatus, based on triaxial cell functioning, allows applying on samples pressure drop between 2 and 10 MPa and

  3. Cementitious Barriers Partnership (CBP): Training and Release of CBP Toolbox Software, Version 1.0 - 13480

    Energy Technology Data Exchange (ETDEWEB)

    Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.; Sarkar, S. [Vanderbilt University, School of Engineering, CRESP, Nashville, TN 37235 (United States); Flach, G.; Langton, C.; Smith, F.G. III; Burns, H. [Savannah River National Laboratory, Aiken, SC 29808 (United States); Van der Sloot, H. [Hans Van der Sloot Consultancy, Dorpsstraat 216, 1721BV Langedijk (Netherlands); Meeussen, J.C.L. [Nuclear Research and Consultancy Group, Westerduinweg 3, Petten (Netherlands); Samson, E. [SIMCO Technologies, Inc., Quebec (Canada); Mallick, P.; Suttora, L. [U.S. Department of Energy, Washington, DC (United States); Esh, D.; Fuhrmann, M.; Philip, J. [U.S. Nuclear Regulatory Commission, Washington, DC (United States)

    2013-07-01

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the Office of Tank Waste Management within the Office of Environmental Management of U.S. Department of Energy (US DOE). The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that improve understanding and predictions of the long-term hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program are intended to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to or longer than 100 years for operating facilities and longer than 1,000 years for waste management purposes. CBP software tools were made available to selected DOE Office of Environmental Management and field site users for training and evaluation based on a set of important degradation scenarios, including sulfate ingress/attack and carbonation of cementitious materials. The tools were presented at two-day training workshops held at U.S. National Institute of Standards and Technology (NIST), Savannah River, and Hanford included LeachXS{sup TM}/ORCHESTRA, STADIUM{sup R}, and a CBP-developed GoldSim Dashboard interface. Collectively, these components form the CBP Software Toolbox. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF) were also presented. The CBP Dashboard uses a custom Dynamic-link library developed by CBP to couple to the LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R} codes to simulate reactive transport and degradation in cementitious materials for selected performance assessment scenarios. The first day of the workshop introduced participants to the software components via presentation materials, and the second day included hands-on tutorial exercises followed

  4. Hydration mechanism and leaching behavior of bauxite-calcination-method red mud-coal gangue based cementitious materials

    International Nuclear Information System (INIS)

    Zhang, Na; Li, Hongxu; Liu, Xiaoming

    2016-01-01

    Highlights: • Nanocrystalline regions in size of ∼5 nm were found in the amorphous C-A-S-H gel. • A hydration model was proposed to clarify the hydration mechanism. • The developed cementitious materials are environmentally acceptable. - Abstract: A deep investigation on the hydration mechanism of bauxite-calcination-method red mud-coal gangue based cementitious materials was conducted from viewpoints of hydration products and hydration heat analysis. As a main hydration product, the microstructure of C-A-S-H gel was observed using high resolution transmission electron microscopy. It was found that the C-A-S-H gel is composed of amorphous regions and nanocrystalline regions. Most of regions in the C-A-S-H gel are amorphous with continuous distribution, and the nanocrystalline regions on scale of ∼5 nm are dispersed irregularly within the amorphous regions. The hydration heat of red mud-coal gangue based cementitious materials is much lower than that of the ordinary Portland cement. A hydration model was proposed for this kind of cementitious materials, and the hydration process mainly consists of four stages which are dissolution of materials, formation of C-A-S-H gels and ettringite, cementation of hydration products, and polycondensation of C-A-S-H gels. There are no strict boundaries among these four basic stages, and they proceed crossing each other. Moreover, the leaching toxicity tests were also performed to prove that the developed red mud-coal gangue based cementitious materials are environmentally acceptable.

  5. Hydration mechanism and leaching behavior of bauxite-calcination-method red mud-coal gangue based cementitious materials

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Na; Li, Hongxu [School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Beijing Key Laboratory of Rare and Precious Metals Green Recycling and Extraction, University of Science and Technology Beijing, Beijing 100083 (China); Liu, Xiaoming, E-mail: liuxm@ustb.edu.cn [School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Beijing Key Laboratory of Rare and Precious Metals Green Recycling and Extraction, University of Science and Technology Beijing, Beijing 100083 (China)

    2016-08-15

    Highlights: • Nanocrystalline regions in size of ∼5 nm were found in the amorphous C-A-S-H gel. • A hydration model was proposed to clarify the hydration mechanism. • The developed cementitious materials are environmentally acceptable. - Abstract: A deep investigation on the hydration mechanism of bauxite-calcination-method red mud-coal gangue based cementitious materials was conducted from viewpoints of hydration products and hydration heat analysis. As a main hydration product, the microstructure of C-A-S-H gel was observed using high resolution transmission electron microscopy. It was found that the C-A-S-H gel is composed of amorphous regions and nanocrystalline regions. Most of regions in the C-A-S-H gel are amorphous with continuous distribution, and the nanocrystalline regions on scale of ∼5 nm are dispersed irregularly within the amorphous regions. The hydration heat of red mud-coal gangue based cementitious materials is much lower than that of the ordinary Portland cement. A hydration model was proposed for this kind of cementitious materials, and the hydration process mainly consists of four stages which are dissolution of materials, formation of C-A-S-H gels and ettringite, cementation of hydration products, and polycondensation of C-A-S-H gels. There are no strict boundaries among these four basic stages, and they proceed crossing each other. Moreover, the leaching toxicity tests were also performed to prove that the developed red mud-coal gangue based cementitious materials are environmentally acceptable.

  6. Flexural behavior of the fibrous cementitious composites (FCC) containing hybrid fibres

    Science.gov (United States)

    Ramli, Mahyuddin; Ban, Cheah Chee; Samsudin, Muhamad Fadli

    2018-02-01

    In this study, the flexural behavior of the fibrous cementitious composites containing hybrid fibers was investigated. Waste materials or by product materials such as pulverized fuel ash (PFA) and ground granulated blast-furnace slag (GGBS) was used as supplementary cement replacement. In addition, barchip and kenaf fiber will be used as additional materials for enhance the flexural behavior of cementitious composites. A seven mix design of fibrous cementitious composites containing hybrid fiber mortar were fabricated with PFA-GGBS as cement replacement at 50% with hybridization of barchip and kenaf fiber between 0.5% and 2.0% by total volume weight. The FCC with hybrid fibers mortar will be fabricated by using 50 × 50 × 50 mm, 40 × 40 × 160 mm and 350 × 125 × 30 mm steel mold for assessment of mechanical performances and flexural behavior characteristics. The flexural behavior and mechanical performance of the PFA-GGBS with hybrid fiber mortar block was assessed in terms of load deflection response, stress-strain response, crack development, compressive and flexural strength after water curing for 28 days. Moreover, the specimen HBK 1 and HBK 2 was observed equivalent or better in mechanical performance and flexural behavior as compared to control mortar.

  7. Technetium Sorption By Cementitious Materials Under Reducing Conditions

    International Nuclear Information System (INIS)

    Kaplan, Daniel I.; Estes, Shanna L.; Arai, Yuji; Powell, Brian A.

    2013-01-01

    The objective of this study was to measure Tc sorption to cementitious materials under reducing conditions to simulate Saltstone Disposal Facility conditions. Earlier studies were conducted and the experimental conditions were found not to simulate those of the facility. Through a five month subcontract with Clemson University, sorption of 99 Tc to four cementitious materials was examined within an anaerobic glovebag targeting a 0.1% H 2 (g)/ 99.9% N 2 (g) atmosphere. Early experiments based on Tc sorption and Eh indicated that 0.1% H 2 (g) (a reductant) was necessary to preclude experimental impacts from O 2 (g) diffusion into the glovebag. Preliminary data to date (up to 56 days) indicates that sorption of 99 Tc to cementitious materials increased with increasing slag content for simulated saltstone samples. This is consistent with the conceptual model that redox active sulfide groups within the reducing slag facilitate reduction of Tc(VII) to Tc(IV). These experiments differ from previous experiments where a 2% H 2 (g) atmosphere was maintained (Kaplan et al., 2011 (SRNL-STI-2010-00668)). The impact of the 2% H 2 (g) reducing atmosphere on this data was examined and determined to cause the reduction of Tc in experimental samples without slag. In the present ongoing study, after 56 days, Tc sorption by the 50-year old cement samples (no slag) was undetectable, whereas Tc sorption in the cementitious materials containing slag continues to increase with contact time (measured after 1, 4, 8, 19 and 56 days). Sorption was not consistent with spike concentrations and steady state has not been demonstrated after 56 days. The average conditional K d value for the Vault 2 cementitious material was 873 mL/g (17% slag), for the TR547 Saltstone (45% slag) the conditional K d was 168 mL/g, and for TR545 (90% slag) the conditional K d was 1,619 mL/g. It is anticipated that additional samples will be collected until steady state conditions are established to permit measuring

  8. Cementitious building material incorporating end-capped polyethylene glycol as a phase change material

    Science.gov (United States)

    Salyer, Ival O.; Griffen, Charles W.

    1986-01-01

    A cementitious composition comprising a cementitious material and polyethylene glycol or end-capped polyethylene glycol as a phase change material, said polyethylene glycol and said end-capped polyethylene glycol having a molecular weight greater than about 400 and a heat of fusion greater than about 30 cal/g; the compositions are useful in making pre-formed building materials such as concrete blocks, brick, dry wall and the like or in making poured structures such as walls or floor pads; the glycols can be encapsulated to reduce their tendency to retard set.

  9. Development of low alkaline cementitious grouting materials for a deep geological repository

    International Nuclear Information System (INIS)

    Suzuki, Kenichiro; Miura, Norihiko; Iriya, Keishiro; Kobayashi, Yasushi

    2012-01-01

    In order to reduce uncertainties of long-term safety assessment for a High Level radioactive Waste (HLW) repository system, low alkaline cementitious grouting materials have been studied. The pH of the leachate from the grouting material is targeted to be below 11.0, since the degradation of the bentonite buffer and host rock is limited. The current work focused on the effects of pozzolanic reactions to reduce pH and the development of low alkaline cementitious injection materials in which super-micro ordinary Portland cement (SOPC) was partially replaced by silica fume (SF), micro silica (MS) and fly ash (FA). As it is important to realize how the grouting material will respond to a high injection pressure into the fracture, and in order to understand the penetrability of different low alkaline cement mixes and to observe their flow behavior through the fracture, injection tests were conducted by using a simulated model fracture of 2 m diameter made from parallel plates of acrylic acid resin and stainless steel. Experimental results of the basic properties for selecting suitable materials and that of injecting into a simulated fracture to assess the grouting performance are described

  10. A Plastic Damage Mechanics Model for Engineered Cementitious Composites

    DEFF Research Database (Denmark)

    Dick-Nielsen, Lars; Stang, Henrik; Poulsen, Peter Noe

    2007-01-01

    This paper discusses the establishment of a plasticity-based damage mechanics model for Engineered Cementitious Composites (ECC). The present model differs from existing models by combining a matrix and fiber description in order to describe the behavior of the ECC material. The model provides...

  11. Durability of low-pH cementitious materials based on OPC or CAC

    International Nuclear Information System (INIS)

    Garcia Calvo, J.L.; Sanchez, M.; Alonso, M.C.; Fernandez Luco, L.

    2015-01-01

    Low pH cementitious materials are considered to be used in underground repositories for high level waste but there are still some characteristics related to their long-term durability that must be analyzed in depth. In this sense, different shrinkage tests have been made using low-pH cement formulations based on Ordinary Portland Cement (OPC) or Calcium Aluminate Cement (CAC), on mortar and concrete specimens. The obtained results show that, regarding the autogenous shrinkage, low-pH cementitious materials show similar values than those observed in the reference samples. In fact, the main shrinkage problems in the low-pH materials are related with those based on OPC with high silica fume contents in drying conditions. Besides, as the use of reinforced concrete can be required in underground repositories, the susceptibility of reinforcements to corrosion when using low-pH cementitious materials based on OPC was analyzed, using two different reinforcements: carbon steel and galvanized steel. The lower pore solution pH of the low-pH OPC based materials generates the corrosion of the carbon steel reinforcement. However, when galvanized steels are used, any corrosion problem is detected regardless of the cement formulation. (authors)

  12. Industrial process system assessment: bridging process engineering and life cycle assessment through multiscale modeling.

    Science.gov (United States)

    The Industrial Process System Assessment (IPSA) methodology is a multiple step allocation approach for connecting information from the production line level up to the facility level and vice versa using a multiscale model of process systems. The allocation procedure assigns inpu...

  13. Effects of using silica fume and polycarboxylate-type superplasticizer on physical properties of cementitious grout mixtures for semiflexible pavement surfacing.

    Science.gov (United States)

    Koting, Suhana; Karim, Mohamed Rehan; Mahmud, Hilmi; Mashaan, Nuha S; Ibrahim, Mohd Rasdan; Katman, Herdayati; Husain, Nadiah Md

    2014-01-01

    Semi-flexible pavement surfacing is a composite pavement that utilizes the porous pavement structure of the flexible bituminous pavement, which is subsequently grouted with appropriate cementitious materials. This study aims to investigate the compressive strength, flexural strength, and workability performance of cementitious grout. The grout mixtures are designed to achieve high strength and maintain flow properties in order to allow the cement slurries to infiltrate easily through unfilled compacted skeletons. A paired-sample t-test was carried out to find out whether water/cement ratio, SP percentages, and use of silica fume influence the cementitious grout performance. The findings showed that the replacement of 5% silica fume with an adequate amount of superplasticizer and water/cement ratio was beneficial in improving the properties of the cementitious grout.

  14. Rigid-body-spring model numerical analysis of joint performance of engineered cementitious composites and concrete

    Science.gov (United States)

    Khmurovska, Y.; Štemberk, P.; Křístek, V.

    2017-09-01

    This paper presents a numerical investigation of effectiveness of using engineered cementitious composites with polyvinyl alcohol fibers for concrete cover layer repair. A numerical model of a monolithic concaved L-shaped concrete structural detail which is strengthened with an engineered cementitious composite layer with polyvinyl alcohol fibers is created and loaded with bending moment. The numerical analysis employs nonlinear 3-D Rigid-Body-Spring Model. The proposed material model shows reliable results and can be used in further studies. The engineered cementitious composite shows extremely good performance in tension due to the strain-hardening effect. Since durability of the bond can be decreased significantly by its degradation due to the thermal loading, this effect should be also taken into account in the future work, as well as the experimental investigation, which should be performed for validation of the proposed numerical model.

  15. Dynamics of a neural system with a multiscale architecture

    Science.gov (United States)

    Breakspear, Michael; Stam, Cornelis J

    2005-01-01

    The architecture of the brain is characterized by a modular organization repeated across a hierarchy of spatial scales—neurons, minicolumns, cortical columns, functional brain regions, and so on. It is important to consider that the processes governing neural dynamics at any given scale are not only determined by the behaviour of other neural structures at that scale, but also by the emergent behaviour of smaller scales, and the constraining influence of activity at larger scales. In this paper, we introduce a theoretical framework for neural systems in which the dynamics are nested within a multiscale architecture. In essence, the dynamics at each scale are determined by a coupled ensemble of nonlinear oscillators, which embody the principle scale-specific neurobiological processes. The dynamics at larger scales are ‘slaved’ to the emergent behaviour of smaller scales through a coupling function that depends on a multiscale wavelet decomposition. The approach is first explicated mathematically. Numerical examples are then given to illustrate phenomena such as between-scale bifurcations, and how synchronization in small-scale structures influences the dynamics in larger structures in an intuitive manner that cannot be captured by existing modelling approaches. A framework for relating the dynamical behaviour of the system to measured observables is presented and further extensions to capture wave phenomena and mode coupling are suggested. PMID:16087448

  16. Description of near-tip fracture processes in strain hardening cementitious composites using image-based analysis and the compact tension test

    DEFF Research Database (Denmark)

    Pereira, Eduardo B.; Fischer, Gregor; Barros, Joaquim A.O.

    2013-01-01

    The cracking mechanisms assume a key role in the composite behavior of Strain Hardening Cementitious Composites (SHCCs). Due to their importance, in previous studies the mechanical behavior of SHCC materials, as well as of other strain softening fiber reinforced cementitious composites......, was characterized under eccentric tensile loading using the Compact Tension Test (CTT). The present research further extends this investigation, with particular emphasis on cementitious composites reinforced with multiple types of fibers. The experimental tensile load-displacement results are discussed and compared...

  17. Block preconditioners for linear systems arising from multiscale collocation with compactly supported RBFs

    KAUST Repository

    Farrell, Patricio; Pestana, Jennifer

    2015-01-01

    . However, the benefit of a guaranteed symmetric positive definite block system comes at a high computational cost. This cost can be alleviated somewhat by considering compactly supported RBFs and a multiscale technique. But the condition number and sparsity

  18. Multiscale Computing with the Multiscale Modeling Library and Runtime Environment

    NARCIS (Netherlands)

    Borgdorff, J.; Mamonski, M.; Bosak, B.; Groen, D.; Ben Belgacem, M.; Kurowski, K.; Hoekstra, A.G.

    2013-01-01

    We introduce a software tool to simulate multiscale models: the Multiscale Coupling Library and Environment 2 (MUSCLE 2). MUSCLE 2 is a component-based modeling tool inspired by the multiscale modeling and simulation framework, with an easy-to-use API which supports Java, C++, C, and Fortran. We

  19. Effects of Using Silica Fume and Polycarboxylate-Type Superplasticizer on Physical Properties of Cementitious Grout Mixtures for Semiflexible Pavement Surfacing

    Directory of Open Access Journals (Sweden)

    Suhana Koting

    2014-01-01

    Full Text Available Semi-flexible pavement surfacing is a composite pavement that utilizes the porous pavement structure of the flexible bituminous pavement, which is subsequently grouted with appropriate cementitious materials. This study aims to investigate the compressive strength, flexural strength, and workability performance of cementitious grout. The grout mixtures are designed to achieve high strength and maintain flow properties in order to allow the cement slurries to infiltrate easily through unfilled compacted skeletons. A paired-sample t-test was carried out to find out whether water/cement ratio, SP percentages, and use of silica fume influence the cementitious grout performance. The findings showed that the replacement of 5% silica fume with an adequate amount of superplasticizer and water/cement ratio was beneficial in improving the properties of the cementitious grout.

  20. Engineered cementitious composites for strengthening masonry infilled reinforced concrete frames

    DEFF Research Database (Denmark)

    Dehghani, Ayoub; Nateghi-Alahi, Fariborz; Fischer, Gregor

    2015-01-01

    The results of the second part of a comprehensive experimental program, aimed at investigating the behavior of masonry infilled reinforced concrete (RC) frames strengthened with fiber reinforced engineered cementitious composites (ECC) used as an overlay on the masonry wall, are presented...

  1. Multiscale simulation approach for battery production systems

    CERN Document Server

    Schönemann, Malte

    2017-01-01

    Addressing the challenge of improving battery quality while reducing high costs and environmental impacts of the production, this book presents a multiscale simulation approach for battery production systems along with a software environment and an application procedure. Battery systems are among the most important technologies of the 21st century since they are enablers for the market success of electric vehicles and stationary energy storage solutions. However, the performance of batteries so far has limited possible applications. Addressing this challenge requires an interdisciplinary understanding of dynamic cause-effect relationships between processes, equipment, materials, and environmental conditions. The approach in this book supports the integrated evaluation of improvement measures and is usable for different planning horizons. It is applied to an exemplary battery cell production and module assembly in order to demonstrate the effectiveness and potential benefits of the simulation.

  2. Damage development, phase changes, transport properties, and freeze-thaw performance of cementitious materials exposed to chloride based salts

    Science.gov (United States)

    Farnam, Yaghoob

    Recently, there has been a dramatic increase in premature deterioration in concrete pavements and flat works that are exposed to chloride based salts. Chloride based salts can cause damage and deterioration in concrete due to the combination of factors which include: increased saturation, ice formation, salt crystallization, osmotic pressure, corrosion in steel reinforcement, and/or deleterious chemical reactions. This thesis discusses how chloride based salts interact with cementitious materials to (1) develop damage in concrete, (2) create new chemical phases in concrete, (3) alter transport properties of concrete, and (4) change the concrete freeze-thaw performance. A longitudinal guarded comparative calorimeter (LGCC) was developed to simultaneously measure heat flow, damage development, and phase changes in mortar samples exposed to sodium chloride (NaCl), calcium chloride (CaCl 2), and magnesium chloride (MgCl2) under thermal cycling. Acoustic emission and electrical resistivity measurements were used in conjunction with the LGCC to assess damage development and electrical response of mortar samples during cooling and heating. A low-temperature differential scanning calorimetry (LT-DSC) was used to evaluate the chemical interaction that occurs between the constituents of cementitious materials (i.e., pore solution, calcium hydroxide, and hydrated cement paste) and salts. Salts were observed to alter the classical phase diagram for a salt-water system which has been conventionally used to interpret the freeze-thaw behavior in concrete. An additional chemical phase change was observed for a concrete-salt-water system resulting in severe damage in cementitious materials. In a cementitious system exposed to NaCl, the chemical phase change occurs at a temperature range between -6 °C and 8 °C due to the presence of calcium sulfoaluminate phases in concrete. As a result, concrete exposed to NaCl can experience additional freeze-thaw cycles due to the chemical

  3. Multiscale information modelling for heart morphogenesis

    Energy Technology Data Exchange (ETDEWEB)

    Abdulla, T; Imms, R; Summers, R [Department of Electronic and Electrical Engineering, Loughborough University, Loughborough (United Kingdom); Schleich, J M, E-mail: T.Abdulla@lboro.ac.u [LTSI Signal and Image Processing Laboratory, University of Rennes 1, Rennes (France)

    2010-07-01

    Science is made feasible by the adoption of common systems of units. As research has become more data intensive, especially in the biomedical domain, it requires the adoption of a common system of information models, to make explicit the relationship between one set of data and another, regardless of format. This is being realised through the OBO Foundry to develop a suite of reference ontologies, and NCBO Bioportal to provide services to integrate biomedical resources and functionality to visualise and create mappings between ontology terms. Biomedical experts tend to be focused at one level of spatial scale, be it biochemistry, cell biology, or anatomy. Likewise, the ontologies they use tend to be focused at a particular level of scale. There is increasing interest in a multiscale systems approach, which attempts to integrate between different levels of scale to gain understanding of emergent effects. This is a return to physiological medicine with a computational emphasis, exemplified by the worldwide Physiome initiative, and the European Union funded Network of Excellence in the Virtual Physiological Human. However, little work has been done on how information modelling itself may be tailored to a multiscale systems approach. We demonstrate how this can be done for the complex process of heart morphogenesis, which requires multiscale understanding in both time and spatial domains. Such an effort enables the integration of multiscale metrology.

  4. Multiscale information modelling for heart morphogenesis

    International Nuclear Information System (INIS)

    Abdulla, T; Imms, R; Summers, R; Schleich, J M

    2010-01-01

    Science is made feasible by the adoption of common systems of units. As research has become more data intensive, especially in the biomedical domain, it requires the adoption of a common system of information models, to make explicit the relationship between one set of data and another, regardless of format. This is being realised through the OBO Foundry to develop a suite of reference ontologies, and NCBO Bioportal to provide services to integrate biomedical resources and functionality to visualise and create mappings between ontology terms. Biomedical experts tend to be focused at one level of spatial scale, be it biochemistry, cell biology, or anatomy. Likewise, the ontologies they use tend to be focused at a particular level of scale. There is increasing interest in a multiscale systems approach, which attempts to integrate between different levels of scale to gain understanding of emergent effects. This is a return to physiological medicine with a computational emphasis, exemplified by the worldwide Physiome initiative, and the European Union funded Network of Excellence in the Virtual Physiological Human. However, little work has been done on how information modelling itself may be tailored to a multiscale systems approach. We demonstrate how this can be done for the complex process of heart morphogenesis, which requires multiscale understanding in both time and spatial domains. Such an effort enables the integration of multiscale metrology.

  5. X-ray computed microtomography of three-dimensional microcracks and self-healing in engineered cementitious composites

    International Nuclear Information System (INIS)

    Fan, Shuai; Li, Mo

    2015-01-01

    Concrete cracking and deterioration can potentially be addressed by innovative self-healing cementitious materials, which can autogenously regain transport properties and mechanical characteristics after the damage self-healing process. For the development of such materials, it is crucial, but challenging, to precisely characterize the extent and quality of self-healing due to a variety of factors. This study adopted x-ray computed microtomography (μCT) to derive three-dimensional morphological data on microcracks before and after healing in engineered cementitious composite (ECC). Scanning electron microscope and energy dispersive x-ray spectroscopy were also used to morphologically and chemically analyze the healing products. This work showed that the evolution of the microcrack 3D structure due to self-healing in cementitious materials can be directly and quantitatively characterized by μCT. A detailed description of the μCT image analysis method applied to ECC self-healing was presented. The results revealed that the self-healing extent and rate strongly depended on initial surface crack width, with smaller crack width favoring fast and robust self-healing. We also found that the self-healing mechanism in cementitious materials is dependent on crack depth. The region of a crack close to the surface (from 0 to around 50–150 μm below the surface) can be sealed quickly with crystalline precipitates. However, at greater depths the healing process inside the crack takes a significantly longer time to occur, with healing products more likely resulting from continued hydration and pozzolanic reactions. Finally, the μCT method was compared with other self-healing characterization methods, with discussions on its importance in generating new scientific knowledge for the development of robust self-healing cementitious materials. (paper)

  6. Micromechanical Properties of a New Polymeric Microcapsule for Self-Healing Cementitious Materials

    Directory of Open Access Journals (Sweden)

    Leyang Lv

    2016-12-01

    Full Text Available Self-healing cementitious materials containing a microencapsulated healing agent are appealing due to their great application potential in improving the serviceability and durability of concrete structures. In this study, poly(phenol–formaldehyde (PF microcapsules that aim to provide a self-healing function for cementitious materials were prepared by an in situ polymerization reaction. Size gradation of the synthesized microcapsules was achieved through a series of sieving processes. The shell thickness and the diameter of single microcapsules was accurately measured under environmental scanning electron microscopy (ESEM. The relationship between the physical properties of the synthesized microcapsules and their micromechanical properties were investigated using nanoindentation. The results of the mechanical tests show that, with the increase of the mean size of microcapsules and the decrease of shell thickness, the mechanical force required to trigger the self-healing function of microcapsules increased correspondingly from 68.5 ± 41.6 mN to 198.5 ± 31.6 mN, featuring a multi-sensitive trigger function. Finally, the rupture behavior and crack surface of cement paste with embedded microcapsules were observed and analyzed using X-ray computed tomography (XCT. The synthesized PF microcapsules may find potential application in self-healing cementitious materials.

  7. Preparation of Cementitious Material Using Smelting Slag and Tailings and the Solidification and Leaching of Pb2+

    Directory of Open Access Journals (Sweden)

    Dan Zhang

    2015-01-01

    Full Text Available The composite cementitious materials were prepared with lead-zinc tailings, lead-zinc smelting slag, and cement clinker. The effect of material ratio on the mechanical properties, the phase analysis, and microstructures were investigated. The effect of the pH and stripping time on the leaching amount of lead ion was discussed. The results show that the additive amount of the tailings should be minimized for the cementitious materials meeting the strength requirements, controlled within 10%. The leaching amount of cementitious materials remains low in a larger range of pH, which can effectively reduce the leaching of heavy metal lead. The leaching kinetics of lead ions in the three kinds of samples could be better described by the pseudo-second-model.

  8. Multiscale modeling in biomechanics and mechanobiology

    CERN Document Server

    Hwang, Wonmuk; Kuhl, Ellen

    2015-01-01

    Presenting a state-of-the-art overview of theoretical and computational models that link characteristic biomechanical phenomena, this book provides guidelines and examples for creating multiscale models in representative systems and organisms. It develops the reader's understanding of and intuition for multiscale phenomena in biomechanics and mechanobiology, and introduces a mathematical framework and computational techniques paramount to creating predictive multiscale models.   Biomechanics involves the study of the interactions of physical forces with biological systems at all scales – including molecular, cellular, tissue and organ scales. The emerging field of mechanobiology focuses on the way that cells produce and respond to mechanical forces – bridging the science of mechanics with the disciplines of genetics and molecular biology. Linking disparate spatial and temporal scales using computational techniques is emerging as a key concept in investigating some of the complex problems underlying these...

  9. Novel Multiscale Modeling Tool Applied to Pseudomonas aeruginosa Biofilm Formation

    OpenAIRE

    Biggs, Matthew B.; Papin, Jason A.

    2013-01-01

    Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet) as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM) and constraint-based metabolic modeling. The hybrid mod...

  10. Multiscale Biological Materials

    DEFF Research Database (Denmark)

    Frølich, Simon

    of multiscale biological systems have been investigated and new research methods for automated Rietveld refinement and diffraction scattering computed tomography developed. The composite nature of biological materials was investigated at the atomic scale by looking at the consequences of interactions between...

  11. Magnetospheric MultiScale (MMS) System Manager

    Science.gov (United States)

    Schiff, Conrad; Maher, Francis Alfred; Henely, Sean Philip; Rand, David

    2014-01-01

    The Magnetospheric MultiScale (MMS) mission is an ambitious NASA space science mission in which 4 spacecraft are flown in tight formation about a highly elliptical orbit. Each spacecraft has multiple instruments that measure particle and field compositions in the Earths magnetosphere. By controlling the members relative motion, MMS can distinguish temporal and spatial fluctuations in a way that a single spacecraft cannot.To achieve this control, 2 sets of four maneuvers, distributed evenly across the spacecraft must be performed approximately every 14 days. Performing a single maneuver on an individual spacecraft is usually labor intensive and the complexity becomes clearly increases with four. As a result, the MMS flight dynamics team turned to the System Manager to put the routine or error-prone under machine control freeing the analysts for activities that require human judgment.The System Manager is an expert system that is capable of handling operations activities associated with performing MMS maneuvers. As an expert system, it can work off a known schedule, launching jobs based on a one-time occurrence or on a set reoccurring schedule. It is also able to detect situational changes and use event-driven programming to change schedules, adapt activities, or call for help.

  12. Degradation of cementitious materials associated with salstone disposal units

    Energy Technology Data Exchange (ETDEWEB)

    Flach, G. P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Smith, F. G. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2014-09-01

    The Saltstone facilities at the DOE Savannah River Site (SRS) stabilize and dispose of low-level radioactive salt solution originating from liquid waste storage tanks at the site. The Saltstone Production Facility (SPF) receives treated salt solution and mixes the aqueous waste with dry cement, blast furnace slag, and fly ash to form a grout slurry which is mechanically pumped into concrete disposal cells that compose the Saltstone Disposal Facility (SDF). The solidified grout is termed “saltstone”. Cementitious materials play a prominent role in the design and long-term performance of the SDF. The saltstone grout exhibits low permeability and diffusivity, and thus represents a physical barrier to waste release. The waste form is also reducing, which creates a chemical barrier to waste release for certain key radionuclides, notably Tc-99. Similarly, the concrete shell of a saltstone disposal unit (SDU) represents an additional physical and chemical barrier to radionuclide release to the environment. Together the waste form and the SDU compose a robust containment structure at the time of facility closure. However, the physical and chemical state of cementitious materials will evolve over time through a variety of phenomena, leading to degraded barrier performance over Performance Assessment (PA) timescales of thousands to tens of thousands of years. Previous studies of cementitious material degradation in the context of low-level waste disposal have identified sulfate attack, carbonation influenced steel corrosion, and decalcification (primary constituent leaching) as the primary chemical degradation phenomena of most relevance to SRS exposure conditions. In this study, degradation time scales for each of these three degradation phenomena are estimated for saltstone and concrete associated with each SDU type under conservative, nominal, and best estimate assumptions.

  13. Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems

    Science.gov (United States)

    Stanton, L. G.; Glosli, J. N.; Murillo, M. S.

    2018-04-01

    Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properties like temperature and density; however, many scenarios of interest involve spatiotemporal variations in these properties, and such variations can violate assumptions made in constructing these potentials, thus precluding their use. In particular, when a system is strongly heterogeneous, most of the usual simplifying assumptions (e.g., spherical potentials) do not apply. Here, we present a multiscale approach to orbital-free density functional theory molecular dynamics (OFDFT-MD) simulations that bridges atomic, interionic, and continuum length scales to allow for variations in hydrodynamic quantities in a consistent way. Our multiscale approach enables simulations on the order of micron length scales and 10's of picosecond timescales, which exceeds current OFDFT-MD simulations by many orders of magnitude. This new capability is then used to study the heterogeneous, nonequilibrium dynamics of a heated interface characteristic of an inertial-confinement-fusion capsule containing a plastic ablator near a fuel layer composed of deuterium-tritium ice. At these scales, fundamental assumptions of continuum models are explored; features such as the separation of the momentum fields among the species and strong hydrogen jetting from the plastic into the fuel region are observed, which had previously not been seen in hydrodynamic simulations.

  14. Engineering Properties and Correlation Analysis of Fiber Cementitious Materials

    Directory of Open Access Journals (Sweden)

    Wei-Ting Lin

    2014-11-01

    Full Text Available This study focuses on the effect of the amount of silica fume addition and volume fraction of steel fiber on the engineering properties of cementitious materials. Test variables include dosage of silica fume (5% and 10%, water/cement ratio (0.35 and 0.55 and steel fiber dosage (0.5%, 1.0% and 2.0%. The experimental results included: compressive strength, direct tensile strength, splitting tensile strength, surface abrasion and drop-weight test, which were collected to carry out the analysis of variance to realize the relevancy and significance between material parameters and those mechanical properties. Test results illustrate that the splitting tensile strength, direct tensile strength, strain capacity and ability of crack-arresting increase with increasing steel fiber and silica fume dosages, as well as the optimum mixture of the fiber cementitious materials is 5% replacement silica fume and 2% fiber dosage. In addition, the Pearson correlation coefficient was conducted to evaluate the influence of the material variables and corresponds to the experiment result.

  15. Treated Coconut Coir Pith as Component of Cementitious Materials

    Directory of Open Access Journals (Sweden)

    Dana Koňáková

    2015-01-01

    Full Text Available The presented paper deals with utilization of raw and treated coir pith as potential component of cementitious composites. The studied material is coir pith originating from a coconut production. Its applicability as cement mixture component was assessed in terms of the physical properties of concrete containing different amount of coir pith. Basic physical properties, compressive and bending strength, and hygric transport characteristics as well as thermal properties belong among the studied characteristics. It was proved that the concrete with 5% (by mass of cement of this waste material shows appropriate physical properties and it gives rise to an applicable material for building structures. Generally, the coir pith can be regarded as lightening additive. When 10% of coir pith was added, it has led to higher deterioration of properties than what is acceptable since such dosing is greatly increasing the total porosity. The influence of chemical treatment of coir pith was evaluated as well; both tested treatment methods improved the performance of cementitious composites while the acetylation was somewhat more effective the treatment by NaOH.

  16. Repair of Impact-Damaged Prestressed Bridge Girders Using Strand Splices and Fabric Reinforced Cementitious Matrix

    OpenAIRE

    Jones, Mark Stevens

    2017-01-01

    This thesis investigates the repair of impact-damaged prestressed concrete bridge girders with strand splices and fabric-reinforced cementitious matrix systems, specifically for repair of structural damage to the underside of an overpass bridge girder due to an overheight vehicle collision. Collision damage to bridges can range from minor to catastrophic, potentially requiring repair or replacement of a bridge girder. This thesis investigates the performance of two different types of repair...

  17. Development of Ecoefficient Engineered Cementitious Composites Using Supplementary Cementitious Materials as a Binder and Bottom Ash Aggregate as Fine Aggregate

    Directory of Open Access Journals (Sweden)

    Jin Wook Bang

    2015-01-01

    Full Text Available The purpose of this study is to develop ecoefficient engineered cementitious composites (ECC using supplementary cementitious materials (SCMs, including fly ash (FA and blast furnace slag (SL as a binder material. The cement content of the ECC mixtures was replaced by FA and SL with a replacement rate of 25%. In addition, the fine aggregate of the ECC was replaced by bottom ash aggregate (BA with a substitution rate of 10%, 20%, and 30%. The influences of ecofriendly aggregates on fresh concrete properties and on mechanical properties were experimentally investigated. The test results revealed that the substitution of SCMs has an advantageous effect on fresh concrete’s properties; however, the increased water absorption and the irregular shape of the BA can potentially affect the fresh concrete’s properties. The substitution of FA and SL in ECC led to an increase in frictional bond at the interface between PVA fibers and matrix, improved the fiber dispersion, and showed a tensile strain capacity ranging from 3.3% to 3.5%. It is suggested that the combination of SCMs (12.5% FA and 12.5% SL and the BA aggregate with the substitution rate of 10% can be effectively used in ECC preparation.

  18. The solubility of uranium in cementitious near-field chemical conditions

    Energy Technology Data Exchange (ETDEWEB)

    Baston, G.M.N.; Brownsword, M.; Cross, J.E.; Hobley, J.; Moreton, A.D.; Smith-Briggs, J.L.; Thomason, H.P. [AEA Decommissioning and Waste Management, Harwell (United Kingdom)

    1993-05-01

    Tetravalent and hexavalent uranium solubilities have been measured in cement-equilibriated water for pH values from 4 to 13. Tetravalent uranium solubilities at pH 12 have been measured by three experimental techniques: oversaturation, undersaturation and by the use of an electrochemical cell which controlled the redox conditions. The experimentally obtained data have been simulated using the thermodynamic equilibrium program HARPHRQ in conjunction with three different sets of thermodynamic data for uranium. In each case, differences were found between the predicted and measured uranium behaviour. For hexavalent uranium at high pH values the model suggested the formation of anionic hydrolysis products which led to the prediction of uranium solubilities significantly higher than those observed. Refinement of the thermodynamic data used in the model enabled the derivation of maximum values for the formation constants of these species under cementitious conditions. Similarly, the experimental data have been used to refine a model of tetravalent uranium solubility under cementitious near-field conditions. (author).

  19. The solubility of uranium in cementitious near-field chemical conditions

    International Nuclear Information System (INIS)

    Baston, G.M.N.; Brownsword, M.; Cross, J.E.; Hobley, J.; Moreton, A.D.; Smith-Briggs, J.L.; Thomason, H.P.

    1993-05-01

    Tetravalent and hexavalent uranium solubilities have been measured in cement-equilibriated water for pH values from 4 to 13. Tetravalent uranium solubilities at pH 12 have been measured by three experimental techniques: oversaturation, undersaturation and by the use of an electrochemical cell which controlled the redox conditions. The experimentally obtained data have been simulated using the thermodynamic equilibrium program HARPHRQ in conjunction with three different sets of thermodynamic data for uranium. In each case, differences were found between the predicted and measured uranium behaviour. For hexavalent uranium at high pH values the model suggested the formation of anionic hydrolysis products which led to the prediction of uranium solubilities significantly higher than those observed. Refinement of the thermodynamic data used in the model enabled the derivation of maximum values for the formation constants of these species under cementitious conditions. Similarly, the experimental data have been used to refine a model of tetravalent uranium solubility under cementitious near-field conditions. (author)

  20. Can superabsorbent polymers mitigate shrinkage in cementitious materials blended with supplementary cementitious materials?

    DEFF Research Database (Denmark)

    Snoeck, Didier; Jensen, Ole Mejlhede; De Belie, Nele

    2016-01-01

    A promising way to mitigate autogenous shrinkage in cementitious materials with a low water-to-binder ratio is internal curing by the use of superabsorbent polymers. Superabsorbent polymers are able to absorb multiple times their weight in water and can be applied as an internal water reservoir...... to induce internal curing and mitigation of self-desiccation. Their purposefulness has been demonstrated in Portland cement pastes with and without silica fume. Nowadays, fly ash and blast-furnace slag containing binders are also frequently used in the construction industry. The results on autogenous...... shrinkage in materials blended with fly ash or blast-furnace slag remain scarce, especially after one week of age. This paper focuses on the autogenous shrinkage by performing manual and automated shrinkage measurements up to one month of age. Without superabsorbent polymers, autogenous shrinkage...

  1. Multiscale Mathematics for Biomass Conversion to Renewable Hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Plechac, Petr [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Mathematics; Univ. of Delaware, Newark, DE (United States). Dept. of Mathematics; Vlachos, Dionisios [Univ. of Delaware, Newark, DE (United States). Dept. of Chemical and Biomolecular Engineering; Katsoulakis, Markos [Univ. of Massachusetts, Amherst, MA (United States). Dept. of Mathematics

    2013-09-05

    The overall objective of this project is to develop multiscale models for understanding and eventually designing complex processes for renewables. To the best of our knowledge, our work is the first attempt at modeling complex reacting systems, whose performance relies on underlying multiscale mathematics. Our specific application lies at the heart of biofuels initiatives of DOE and entails modeling of catalytic systems, to enable economic, environmentally benign, and efficient conversion of biomass into either hydrogen or valuable chemicals. Specific goals include: (i) Development of rigorous spatio-temporal coarse-grained kinetic Monte Carlo (KMC) mathematics and simulation for microscopic processes encountered in biomass transformation. (ii) Development of hybrid multiscale simulation that links stochastic simulation to a deterministic partial differential equation (PDE) model for an entire reactor. (iii) Development of hybrid multiscale simulation that links KMC simulation with quantum density functional theory (DFT) calculations. (iv) Development of parallelization of models of (i)-(iii) to take advantage of Petaflop computing and enable real world applications of complex, multiscale models. In this NCE period, we continued addressing these objectives and completed the proposed work. Main initiatives, key results, and activities are outlined.

  2. Multi-Scale Validation of a Nanodiamond Drug Delivery System and Multi-Scale Engineering Education

    Science.gov (United States)

    Schwalbe, Michelle Kristin

    2010-01-01

    This dissertation has two primary concerns: (i) evaluating the uncertainty and prediction capabilities of a nanodiamond drug delivery model using Bayesian calibration and bias correction, and (ii) determining conceptual difficulties of multi-scale analysis from an engineering education perspective. A Bayesian uncertainty quantification scheme…

  3. Differential geometry based multiscale models.

    Science.gov (United States)

    Wei, Guo-Wei

    2010-08-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atomistic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier-Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson-Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson-Nernst-Planck equations that are

  4. Differential Geometry Based Multiscale Models

    Science.gov (United States)

    Wei, Guo-Wei

    2010-01-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atom-istic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier–Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson–Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson–Nernst–Planck equations that

  5. A Multiscale Finite Element Model Validation Method of Composite Cable-Stayed Bridge Based on Structural Health Monitoring System

    Directory of Open Access Journals (Sweden)

    Rumian Zhong

    2015-01-01

    Full Text Available A two-step response surface method for multiscale finite element model (FEM updating and validation is presented with respect to Guanhe Bridge, a composite cable-stayed bridge in the National Highway number G15, in China. Firstly, the state equations of both multiscale and single-scale FEM are established based on the basic equation in structural dynamic mechanics to update the multiscale coupling parameters and structural parameters. Secondly, based on the measured data from the structural health monitoring (SHM system, a Monte Carlo simulation is employed to analyze the uncertainty quantification and transmission, where the uncertainties of the multiscale FEM and measured data were considered. The results indicate that the relative errors between the calculated and measured frequencies are less than 2%, and the overlap ratio indexes of each modal frequency are larger than 80% without the average absolute value of relative errors. These demonstrate that the proposed method can be applied to validate the multiscale FEM, and the validated FEM can reflect the current conditions of the real bridge; thus it can be used as the basis for bridge health monitoring, damage prognosis (DP, and safety prognosis (SP.

  6. Multiscale aspects of the visual system and their use for scale invariant object recognition

    NARCIS (Netherlands)

    Petkov, N; vanDeemter, J; Karsch, F; Monien, B; Satz, H

    1997-01-01

    Psychophysical, neuroanatomical and neurophysiological evidence for multiscale aspects of the visual system is considered. The stack model and its relation to the image pyramid are discussed. The results of a straightforward implementation on a parallel supercomputer are presented. The high

  7. The Expanded Capabilities Of The Cementitious Barriers Partnership Software Toolbox Version 2.0 - 14331

    Energy Technology Data Exchange (ETDEWEB)

    Burns, Heather; Flach, Greg; Smith, Frank; Langton, Christine; Brown, Kevin; Kosson, David; Samson, Eric; Mallick, Pramod

    2014-01-10

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy (US DOE) Office of Tank Waste Management. The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that help improve understanding and predictions of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. The CBP Software Toolbox – “Version 1.0” was released early in FY2013 and was used to support DOE-EM performance assessments in evaluating various degradation mechanisms that included sulfate attack, carbonation and constituent leaching. The sulfate attack analysis predicted the extent and damage that sulfate ingress will have on concrete vaults over extended time (i.e., > 1000 years) and the carbonation analysis provided concrete degradation predictions from rebar corrosion. The new release “Version 2.0” includes upgraded carbonation software and a new software module to evaluate degradation due to chloride attack. Also included in the newer version are a dual regime module allowing evaluation of contaminant release in two regimes – both fractured and un-fractured. The integrated software package has also been upgraded with new plotting capabilities and many other features that increase the “user-friendliness” of the package. Experimental work has been generated to provide data to calibrate the models to improve the credibility of the analysis and reduce the uncertainty. Tools selected for and developed under this program have been used to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to or longer than 100 years for operating facilities and longer than 1000 years for waste disposal. The CBP Software Toolbox is and will continue to produce tangible benefits to the working DOE

  8. Study on rich alumina alkali-activated slag clay minerals cementitious materials for immobilization of radioactive waste

    International Nuclear Information System (INIS)

    Li Yuxiang; Qian Guangren; Yi Facheng; Shi Rongming; Fu Yibei; Li Lihua; Zhang Jun

    1999-01-01

    The composition and some properties of its pastes of rich alumina alkali-activated slag clay minerals (RAAASCM) cementitious materials for immobilization of radioactive waste are studied. Experimental results show that heat activated kaolinite, Xingjiang zeolite, modified attapulgite clay are better constituents of RAAASCM. RAAASCM cementitious materials pastes exhibit high strength, low porosity, fewer harmful pore, and high resistance to sulphate corrosion as well as gamma irradiation. The Sr 2+ , Cs + leaching portion of the simulated radioactive waste forms based on RAAASCM, is low

  9. Modelling and experimental study of low temperature energy storage reactor using cementitious material

    International Nuclear Information System (INIS)

    Ndiaye, Khadim; Ginestet, Stéphane; Cyr, Martin

    2017-01-01

    Highlights: • Numerical study of a thermochemical reactor using a cementitious material for TES. • Development and test of an original prototype based on this original material. • Comparison of the experimental and numerical results. • Energy balance of the experimental setup (charging and discharging phases). - Abstract: Renewable energy storage is now essential to enhance the energy performance of buildings and to reduce their environmental impact. Most adsorbent materials are capable of storing heat, in a large range of temperature. Ettringite, the main product of the hydration of sulfoaluminate binders, has the advantage of high energy storage density at low temperature, around 60 °C. The objective of this study is, first, to predict the behaviour of the ettringite based material in a thermochemical reactor during the heat storage process, by heat storage modelling, and then to perform experimental validation by tests on a prototype. A model based on the energy and mass balance in the cementitious material was developed and simulated in MatLab software, and was able to predict the spatiotemporal behaviour of the storage system. This helped to build a thermochemical reactor prototype for heat storage tests in both the charging and discharging phases. Thus experimental tests validated the numerical model and served as proof of concept.

  10. Superhydrophobic engineered cementitious composites for highway bridge applications : technology transfer and implementation.

    Science.gov (United States)

    2013-09-01

    The strength and durability of highway bridges are two of the key components in maintaining a : high level of freight transportation capacity on the nations highways. Superhydrophobic : engineered cementitious composite (SECC) is a new advanced con...

  11. Efficient algorithms for multiscale modeling in porous media

    KAUST Repository

    Wheeler, Mary F.; Wildey, Tim; Xue, Guangri

    2010-01-01

    We describe multiscale mortar mixed finite element discretizations for second-order elliptic and nonlinear parabolic equations modeling Darcy flow in porous media. The continuity of flux is imposed via a mortar finite element space on a coarse grid scale, while the equations in the coarse elements (or subdomains) are discretized on a fine grid scale. We discuss the construction of multiscale mortar basis and extend this concept to nonlinear interface operators. We present a multiscale preconditioning strategy to minimize the computational cost associated with construction of the multiscale mortar basis. We also discuss the use of appropriate quadrature rules and approximation spaces to reduce the saddle point system to a cell-centered pressure scheme. In particular, we focus on multiscale mortar multipoint flux approximation method for general hexahedral grids and full tensor permeabilities. Numerical results are presented to verify the accuracy and efficiency of these approaches. © 2010 John Wiley & Sons, Ltd.

  12. Efficient algorithms for multiscale modeling in porous media

    KAUST Repository

    Wheeler, Mary F.

    2010-09-26

    We describe multiscale mortar mixed finite element discretizations for second-order elliptic and nonlinear parabolic equations modeling Darcy flow in porous media. The continuity of flux is imposed via a mortar finite element space on a coarse grid scale, while the equations in the coarse elements (or subdomains) are discretized on a fine grid scale. We discuss the construction of multiscale mortar basis and extend this concept to nonlinear interface operators. We present a multiscale preconditioning strategy to minimize the computational cost associated with construction of the multiscale mortar basis. We also discuss the use of appropriate quadrature rules and approximation spaces to reduce the saddle point system to a cell-centered pressure scheme. In particular, we focus on multiscale mortar multipoint flux approximation method for general hexahedral grids and full tensor permeabilities. Numerical results are presented to verify the accuracy and efficiency of these approaches. © 2010 John Wiley & Sons, Ltd.

  13. Argillite / cementitious materials interaction: in-situ investigations and modeling of engineered analogues from the Tournemire experimental station

    International Nuclear Information System (INIS)

    Techer, I.; Bartier, D.; Dauzeres, A.; Boulvais, P.

    2012-01-01

    Document available in extended abstract form only. Deep geological disposal of high-activity and long-period radioactive wastes is designed by the French National Agency for Radioactive Waste Management (Andra) with a confinement system based on the multiplication of argillaceous and cement-bearing barriers called 'engineered barriers'. The role of these barriers is to avoid the release of radioelements into the biosphere, as well as to prevent the potential addition of external fluids to the waste materials. In a deep clay-rich medium, cementitious materials will compose most of the building structures and will be emplaced at the immediate contact with the natural argillaceous formation. Cementitious materials are known to produce hyper-alkaline pore fluids (with pHs ranging between 10 and 13.5) during their aging. Their introduction in a deep clayey disposal is thus expected to induce a chemical disequilibrium which imprint on the safety assessment of the storage must be characterized. One way to evaluate the potential disturbing of a clayey formation at the contact to a cementitious material and thus towards the percolation of hyper-alkaline fluids consists with the investigation of natural analogues or engineered analogues. These systems deals with clayey formations that have been maintained over several years to hundred of years at the contact with a natural or engineered cementitious material. The Tournemire Experimental Platform of the French Institute for Radioprotection and Nuclear Safety (IRSN) (Aveyron, SE France) presents many contexts of so-defined engineered analogues. For instance, exploration boreholes that were drilled vertically from the tunnel basement into the Toarcian argillite in 1990/1991 were filled soon after their drilling with CEM II cement paste and concrete. Today, the over coring of such concreted boreholes gives opportunities to examine the cementitious and the clayey materials and to discuss potential changes of their intrinsic

  14. Analytical and numerical models of transport in porous cementitious materials

    International Nuclear Information System (INIS)

    Garboczi, E.J.; Bentz, D.P.

    1990-01-01

    Most chemical and physical processes that degrade cementitious materials are dependent on an external source of either water or ions or both. Understanding the rates of these processes at the microstructural level is necessary in order to develop a sound scientific basis for the prediction and control of the service life of cement-based materials, especially for radioactive-waste containment materials that are required to have service lives on the order of hundreds of years. An important step in developing this knowledge is to understand how transport coefficients, such as diffusivity and permeability, depend on the pore structure. Fluid flow under applied pressure gradients and ionic diffusion under applied concentration gradients are important transport mechanisms that take place in the pore space of cementitious materials. This paper describes: (1) a new analytical percolation-theory-based equation for calculating the permeability of porous materials, (2) new computational methods for computing effective diffusivities of microstructural models or digitized images of actual porous materials, and (3) a new digitized-image mercury intrusion simulation technique

  15. Viscoelastic stress modeling in cementitious materials using constant viscoelastic hydration modulus

    NARCIS (Netherlands)

    Hansen, W.; Liu, Z.; Koenders, E.A.B.

    2014-01-01

    Viscoelastic stress modeling in ageing cementitious materials is of major importance in high performance concrete of low water cement ratio (e.g. w/c ~0.35) where crack resistance due to deformation restraint needs to be determined. Total stress analysis is complicated by the occurrence of internal

  16. Methyl methacrylate as a healing agent for self-healing cementitious materials

    International Nuclear Information System (INIS)

    Van Tittelboom, K; De Belie, N; Adesanya, K; Dubruel, P; Van Puyvelde, P

    2011-01-01

    Different types of healing agents have already been tested on their efficiency for use in self-healing cementitious materials. Generally, commercial healing agents are used while their properties are adjusted for manual crack repair and not for autonomous crack healing. Consequently, the amount of regain in properties due to self-healing of cracks is limited. In this research, a methyl methacrylate (MMA)-based healing agent was developed specifically for use in self-healing cementitious materials. Various parameters were optimized including the viscosity, curing time, strength, etc. After the desired properties were obtained, the healing agent was encapsulated and screened for its self-healing efficiency. The decrease in water permeability due to autonomous crack healing using MMA as a healing agent was similar to the results obtained for manually healed cracks. First results seem promising: however, further research needs to be undertaken in order to obtain an optimal healing agent ready for use in practice

  17. Micromechanical properties of a new polymeric microcapsule for self-healing cementitious materials

    NARCIS (Netherlands)

    Lv, Leyang; Schlangen, H.E.J.G.; Yang, Z.; Xing, Feng

    2016-01-01

    Self-healing cementitious materials containing a microencapsulated healing agent are appealing due to their great application potential in improving the serviceability and durability of concrete structures. In this study, poly(phenol-formaldehyde) (PF) microcapsules that aim to provide a

  18. Integrated multiscale biomaterials experiment and modelling: a perspective

    Science.gov (United States)

    Buehler, Markus J.; Genin, Guy M.

    2016-01-01

    Advances in multiscale models and computational power have enabled a broad toolset to predict how molecules, cells, tissues and organs behave and develop. A key theme in biological systems is the emergence of macroscale behaviour from collective behaviours across a range of length and timescales, and a key element of these models is therefore hierarchical simulation. However, this predictive capacity has far outstripped our ability to validate predictions experimentally, particularly when multiple hierarchical levels are involved. The state of the art represents careful integration of multiscale experiment and modelling, and yields not only validation, but also insights into deformation and relaxation mechanisms across scales. We present here a sampling of key results that highlight both challenges and opportunities for integrated multiscale experiment and modelling in biological systems. PMID:28981126

  19. Bond Characteristics of Macro Polypropylene Fiber in Cementitious Composites Containing Nanosilica and Styrene Butadiene Latex Polymer

    Directory of Open Access Journals (Sweden)

    Jae-Woong Han

    2015-01-01

    Full Text Available This study evaluated the bond properties of polypropylene (PP fiber in plain cementitious composites (PCCs and styrene butadiene latex polymer cementitious composites (LCCs at different nanosilica contents. The bond tests were evaluated according to JCI SF-8, in which the contents of nanosilica in the cement were 0, 2, 4, 6, 8, and 10 wt%, based on cement weight. The addition of nanosilica significantly affected the bond properties between macro PP fiber and cementitious composites. For PCCs, the addition of 0–2 wt% nanosilica enhanced bond strength and interface toughness, whereas the addition of 4 wt% or more reduced bond strength and interface toughness. The bond strength and interfacial toughness of LCCs also increased with the addition of up to 6% nanosilica. The analysis of the relative bond strength showed that the addition of nanosilica affects the bond properties of both PCC and LCC. This result was confirmed via microstructural analysis of the macro PP fiber surface after the bond tests, which revealed an increase in scratches due to frictional forces and fiber tearing.

  20. Treated Coconut Coir Pith as Component of Cementitious Materials

    OpenAIRE

    Koňáková, Dana; Vejmelková, Eva; Čáchová, Monika; Siddique, Jamal Akhter; Polozhiy, Kirill; Reiterman, Pavel; Keppert, Martin; Černý, Robert

    2015-01-01

    The presented paper deals with utilization of raw and treated coir pith as potential component of cementitious composites. The studied material is coir pith originating from a coconut production. Its applicability as cement mixture component was assessed in terms of the physical properties of concrete containing different amount of coir pith. Basic physical properties, compressive and bending strength, and hygric transport characteristics as well as thermal properties belong among the studied...

  1. From the direct numerical simulation to system codes-perspective for the multi-scale analysis of LWR thermal hydraulics

    International Nuclear Information System (INIS)

    Bestion, D.

    2010-01-01

    A multi-scale analysis of water-cooled reactor thermal hydraulics can be used to take advantage of increased computer power and improved simulation tools, including Direct Numerical Simulation (DNS), Computational Fluid Dynamics (CFD) (in both open and porous mediums), and system thermalhydraulic codes. This paper presents a general strategy for this procedure for various thermalhydraulic scales. A short state of the art is given for each scale, and the role of the scale in the overall multi-scale analysis process is defined. System thermalhydraulic codes will remain a privileged tool for many investigations related to safety. CFD in porous medium is already being frequently used for core thermal hydraulics, either in 3D modules of system codes or in component codes. CFD in open medium allows zooming on some reactor components in specific situations, and may be coupled to the system and component scales. Various modeling approaches exist in the domain from DNS to CFD which may be used to improve the understanding of flow processes, and as a basis for developing more physically based models for macroscopic tools. A few examples are given to illustrate the multi-scale approach. Perspectives for the future are drawn from the present state of the art and directions for future research and development are given

  2. Phenomenological interpretation of the shear behavior of reinforced Engineered Cementitious Composite beams

    DEFF Research Database (Denmark)

    Paegle, Ieva; Fischer, Gregor

    2016-01-01

    This paper describes an experimental investigation of the shear behavior of beams consisting of steel Reinforced Engineered Cementitious Composites (R/ECC). This study investigates and quantifies the effect of ECC's strain hardening and multiple cracking behavior on the shear capacity of beams...

  3. A multiscale dataset for understanding complex eco-hydrological processes in a heterogeneous oasis system

    OpenAIRE

    Li, Xin; Liu, Shaomin; Xiao, Qin; Ma, Mingguo; Jin, Rui; Che, Tao; Wang, Weizhen; Hu, Xiaoli; Xu, Ziwei; Wen, Jianguang; Wang, Liangxu

    2017-01-01

    We introduce a multiscale dataset obtained from Heihe Watershed Allied Telemetry Experimental Research (HiWATER) in an oasis-desert area in 2012. Upscaling of eco-hydrological processes on a heterogeneous surface is a grand challenge. Progress in this field is hindered by the poor availability of multiscale observations. HiWATER is an experiment designed to address this challenge through instrumentation on hierarchically nested scales to obtain multiscale and multidisciplinary data. The HiWAT...

  4. Detection of metal fibres in cementitious composites based on signal and image processing approaches

    Czech Academy of Sciences Publication Activity Database

    Vala, J.; Hobst, L.; Kozák, Vladislav

    2015-01-01

    Roč. 10, č. 1 (2015), s. 39-46 ISSN 1991-8747 Institutional support: RVO:68081723 Keywords : Cementitious composites * Computational simulation * Non-destructive testing Subject RIV: JI - Composite Materials

  5. Components for Atomistic-to-Continuum Multiscale Modeling of Flow in Micro- and Nanofluidic Systems

    Directory of Open Access Journals (Sweden)

    Helgi Adalsteinsson

    2008-01-01

    Full Text Available Micro- and nanofluidics pose a series of significant challenges for science-based modeling. Key among those are the wide separation of length- and timescales between interface phenomena and bulk flow and the spatially heterogeneous solution properties near solid-liquid interfaces. It is not uncommon for characteristic scales in these systems to span nine orders of magnitude from the atomic motions in particle dynamics up to evolution of mass transport at the macroscale level, making explicit particle models intractable for all but the simplest systems. Recently, atomistic-to-continuum (A2C multiscale simulations have gained a lot of interest as an approach to rigorously handle particle-level dynamics while also tracking evolution of large-scale macroscale behavior. While these methods are clearly not applicable to all classes of simulations, they are finding traction in systems in which tight-binding, and physically important, dynamics at system interfaces have complex effects on the slower-evolving large-scale evolution of the surrounding medium. These conditions allow decomposition of the simulation into discrete domains, either spatially or temporally. In this paper, we describe how features of domain decomposed simulation systems can be harnessed to yield flexible and efficient software for multiscale simulations of electric field-driven micro- and nanofluidics.

  6. Multiscale modeling of mucosal immune responses

    Science.gov (United States)

    2015-01-01

    Computational modeling techniques are playing increasingly important roles in advancing a systems-level mechanistic understanding of biological processes. Computer simulations guide and underpin experimental and clinical efforts. This study presents ENteric Immune Simulator (ENISI), a multiscale modeling tool for modeling the mucosal immune responses. ENISI's modeling environment can simulate in silico experiments from molecular signaling pathways to tissue level events such as tissue lesion formation. ENISI's architecture integrates multiple modeling technologies including ABM (agent-based modeling), ODE (ordinary differential equations), SDE (stochastic modeling equations), and PDE (partial differential equations). This paper focuses on the implementation and developmental challenges of ENISI. A multiscale model of mucosal immune responses during colonic inflammation, including CD4+ T cell differentiation and tissue level cell-cell interactions was developed to illustrate the capabilities, power and scope of ENISI MSM. Background Computational techniques are becoming increasingly powerful and modeling tools for biological systems are of greater needs. Biological systems are inherently multiscale, from molecules to tissues and from nano-seconds to a lifespan of several years or decades. ENISI MSM integrates multiple modeling technologies to understand immunological processes from signaling pathways within cells to lesion formation at the tissue level. This paper examines and summarizes the technical details of ENISI, from its initial version to its latest cutting-edge implementation. Implementation Object-oriented programming approach is adopted to develop a suite of tools based on ENISI. Multiple modeling technologies are integrated to visualize tissues, cells as well as proteins; furthermore, performance matching between the scales is addressed. Conclusion We used ENISI MSM for developing predictive multiscale models of the mucosal immune system during gut

  7. Multiscale modeling of mucosal immune responses.

    Science.gov (United States)

    Mei, Yongguo; Abedi, Vida; Carbo, Adria; Zhang, Xiaoying; Lu, Pinyi; Philipson, Casandra; Hontecillas, Raquel; Hoops, Stefan; Liles, Nathan; Bassaganya-Riera, Josep

    2015-01-01

    Computational techniques are becoming increasingly powerful and modeling tools for biological systems are of greater needs. Biological systems are inherently multiscale, from molecules to tissues and from nano-seconds to a lifespan of several years or decades. ENISI MSM integrates multiple modeling technologies to understand immunological processes from signaling pathways within cells to lesion formation at the tissue level. This paper examines and summarizes the technical details of ENISI, from its initial version to its latest cutting-edge implementation. Object-oriented programming approach is adopted to develop a suite of tools based on ENISI. Multiple modeling technologies are integrated to visualize tissues, cells as well as proteins; furthermore, performance matching between the scales is addressed. We used ENISI MSM for developing predictive multiscale models of the mucosal immune system during gut inflammation. Our modeling predictions dissect the mechanisms by which effector CD4+ T cell responses contribute to tissue damage in the gut mucosa following immune dysregulation.Computational modeling techniques are playing increasingly important roles in advancing a systems-level mechanistic understanding of biological processes. Computer simulations guide and underpin experimental and clinical efforts. This study presents ENteric Immune Simulator (ENISI), a multiscale modeling tool for modeling the mucosal immune responses. ENISI's modeling environment can simulate in silico experiments from molecular signaling pathways to tissue level events such as tissue lesion formation. ENISI's architecture integrates multiple modeling technologies including ABM (agent-based modeling), ODE (ordinary differential equations), SDE (stochastic modeling equations), and PDE (partial differential equations). This paper focuses on the implementation and developmental challenges of ENISI. A multiscale model of mucosal immune responses during colonic inflammation, including CD4+ T

  8. Utilization of red mud and Pb/Zn smelter waste for the synthesis of a red mud-based cementitious material.

    Science.gov (United States)

    Li, Yuan-Cheng; Min, Xiao-Bo; Ke, Yong; Chai, Li-Yuan; Shi, Mei-Qing; Tang, Chong-Jian; Wang, Qing-Wei; Liang, Yan-Jie; Lei, Jie; Liu, De-Gang

    2018-02-15

    A new method in which Pb/Zn smelter waste containing arsenic and heavy metals (arsenic sludge), red mud and lime are utilized to prepare red mud-based cementitious material (RCM) is proposed in this study. XRD, SEM, FTIR and unconfined compressive strength (UCS) tests were employed to assess the physicochemical properties of RCM. In addition, ettringite and iron oxide-containing ettringite were used to study the hydration mechanism of RCM. The results show that the UCS of the RCM (red mud+arsenic sludge+lime) was higher than that of the binder (red mud+arsenic sludge). When the mass ratio of m (binder): m (lime) was 94:6 and then maintained 28days at ambient temperature, the UCS reached 12.05MPa. The red mud has potential cementitious characteristics, and the major source of those characteristics was the aluminium oxide. In the red mud-arsenic sludge-lime system, aluminium oxide was effectively activated by lime and gypsum to form complex hydration products. Some of the aluminium in ettringite was replaced by iron to form calcium sulfoferrite hydrate. The BCR and leaching toxicity results show that the leaching concentration was strongly dependent on the chemical speciation of arsenic and the hydration products. Therefore, the investigated red mud and arsenic sludge can be successfully utilized in cement composites to create a red mud-based cementitious material. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Multiscale equation-free algorithms for molecular dynamics

    Science.gov (United States)

    Abi Mansour, Andrew

    Molecular dynamics is a physics-based computational tool that has been widely employed to study the dynamics and structure of macromolecules and their assemblies at the atomic scale. However, the efficiency of molecular dynamics simulation is limited because of the broad spectrum of timescales involved. To overcome this limitation, an equation-free algorithm is presented for simulating these systems using a multiscale model cast in terms of atomistic and coarse-grained variables. Both variables are evolved in time in such a way that the cross-talk between short and long scales is preserved. In this way, the coarse-grained variables guide the evolution of the atom-resolved states, while the latter provide the Newtonian physics for the former. While the atomistic variables are evolved using short molecular dynamics runs, time advancement at the coarse-grained level is achieved with a scheme that uses information from past and future states of the system while accounting for both the stochastic and deterministic features of the coarse-grained dynamics. To complete the multiscale cycle, an atom-resolved state consistent with the updated coarse-grained variables is recovered using algorithms from mathematical optimization. This multiscale paradigm is extended to nanofluidics using concepts from hydrodynamics, and it is demonstrated for macromolecular and nanofluidic systems. A toolkit is developed for prototyping these algorithms, which are then implemented within the GROMACS simulation package and released as an open source multiscale simulator.

  10. Multiscale computing in the exascale era

    NARCIS (Netherlands)

    Alowayyed, S.; Groen, D.; Coveney, P.V.; Hoekstra, A.G.

    We expect that multiscale simulations will be one of the main high performance computing workloads in the exascale era. We propose multiscale computing patterns as a generic vehicle to realise load balanced, fault tolerant and energy aware high performance multiscale computing. Multiscale computing

  11. Implications of the use of low-pH cementitious materials in high activity radioactive waste repositories

    International Nuclear Information System (INIS)

    Garcia Calvo, J.L.; Alonso, M.C.; Fernandez Luco, L.; Hidalgo, A.; Sanchez, M.

    2008-01-01

    One of the most accepted engineering construction concepts for high radioactive nuclear waste of underground repositories considers the use of low pH cementitious materials, in order to avoid the formation of an alkaline plume fluid which perturbs one of the engineered barriers of the repository, the bentonite. The accepted solution to maintain the bentonite stability, which is function of the pH, is to develop cementitious materials that generate pore waters with pH ≤ 11, because the corrosion velocity of the clay is significantly reduced below this value. The IETcc-CSIC has focused the research activity on low-pH cementitious materials using two cements: Ordinary Portland Cements (OPC) and Calcium Aluminates Cements (CAC). In both cases, the achievement of a low-pH environment implies the use of high content of mineral admixtures to prepare the binder. Obviously, the inclusion of high contents of mineral admixtures in the cement formulation modifies most of the concrete 'standard' properties and the microstructure of the obtained cement products. When designing a concrete based on low-pH binders, not only the functional requirements have to be reached but also the modifications of the basic properties of the concrete must be taken into account. Besides, due to the location and the long service life of this type of products, their durability properties must be also guaranteed. This paper deals with the procedure followed in the design of a specific application of low pH cements; for instance, the shotcrete plug fabrication. The challenge of this type of use (shotcreting) is more complex taking into account that requires the employment of additives that must be compatible with the concrete mixture. Furthermore, their effectiveness must be assured without increase the pH above the admissible levels. Therefore, their compatibility with admixtures is tested in the present work. The compliance of the requirements for a shotcrete plug was evaluated at laboratory scale

  12. Deductive multiscale simulation using order parameters

    Science.gov (United States)

    Ortoleva, Peter J.

    2017-05-16

    Illustrative embodiments of systems and methods for the deductive multiscale simulation of macromolecules are disclosed. In one illustrative embodiment, a deductive multiscale simulation method may include (i) constructing a set of order parameters that model one or more structural characteristics of a macromolecule, (ii) simulating an ensemble of atomistic configurations for the macromolecule using instantaneous values of the set of order parameters, (iii) simulating thermal-average forces and diffusivities for the ensemble of atomistic configurations, and (iv) evolving the set of order parameters via Langevin dynamics using the thermal-average forces and diffusivities.

  13. Study on reinforcement of soil for suppressing fugitive dust by bio-cementitious material

    Science.gov (United States)

    Zhan, Qiwei; Qian, Chunxiang

    2017-06-01

    Microbial-induced reinforcement of soil, as a new green and environmental-friendly method, is being paid extensive attention to in that it has low cost, simple operation and rapid effects. In this research, reinforcement of soil for suppressing fugitive dust by bio-cementitious material was investigated. Soil cemented by bio-cementitious material had superior mechanical properties, such as hardness, compressive strength, microstructure, wind-erosion resistance, rainfall-erosion resistance and freeze-thaw resistance. The average hardness of sandy soil, floury soil and clay soil is 18.9 º, 25.2 º and 26.1 º, while average compressive strength of samples is 0.43 MPa, 0.54 MPa and 0.69 MPa, respectively; meanwhile, the average calcite content of samples is 6.85 %, 6.09 %, and 5.96 %, respectively. Compared with the original sandy soil, floury soil and clay soil, the porosity decreases by 38.5 %, 33.7 % and 29.2 %. When wind speed is 12 m/s, the mass loss of sandy soil, floury soil and clay soil cemented by bio-cementitious material are all less than 30 g/(m2·h). After three cycles of rainfall erosion of 2.5 mm/h, the mass loss are less than 25 g/(m2·h) and the compressive strength residual ratio are more than 98.0 %. Under 25 cycles of freeze-thaw, the mass loss ratio are less than 3.0 %.

  14. Multiscale Support Vector Learning With Projection Operator Wavelet Kernel for Nonlinear Dynamical System Identification.

    Science.gov (United States)

    Lu, Zhao; Sun, Jing; Butts, Kenneth

    2016-02-03

    A giant leap has been made in the past couple of decades with the introduction of kernel-based learning as a mainstay for designing effective nonlinear computational learning algorithms. In view of the geometric interpretation of conditional expectation and the ubiquity of multiscale characteristics in highly complex nonlinear dynamic systems [1]-[3], this paper presents a new orthogonal projection operator wavelet kernel, aiming at developing an efficient computational learning approach for nonlinear dynamical system identification. In the framework of multiresolution analysis, the proposed projection operator wavelet kernel can fulfill the multiscale, multidimensional learning to estimate complex dependencies. The special advantage of the projection operator wavelet kernel developed in this paper lies in the fact that it has a closed-form expression, which greatly facilitates its application in kernel learning. To the best of our knowledge, it is the first closed-form orthogonal projection wavelet kernel reported in the literature. It provides a link between grid-based wavelets and mesh-free kernel-based methods. Simulation studies for identifying the parallel models of two benchmark nonlinear dynamical systems confirm its superiority in model accuracy and sparsity.

  15. Fracture propagation in cementitious materials

    DEFF Research Database (Denmark)

    Skocek, Jan

    , it is experimentally observed and numerically veried that the cracking plays an important role in mode-I as well as compressive experiments. The approximative particle model extended for materials with heterogeneous matrices predicts strengths matching favorably experimental records in a qualitative way.......Mechanical behavior of structures made from cementitious materials has been successfully modeled using non-linear fracture mechanics in recent decades. On the structural scale, an assumption of homogeneity of the material is valid and well established theories can be applied. However, if focus...... is put on phenomena of a similar scale as is the characteristic size of inhomogeneities of the material, a model which re ects the heterogeneous nature of the material needs to be applied. This is, indeed, the case for prediction of mechanical properties of a material based on the knowledge of properties...

  16. Multiscale Modeling of Poromechanics in Geologic Media

    Science.gov (United States)

    Castelletto, N.; Hajibeygi, H.; Klevtsov, S.; Tchelepi, H.

    2017-12-01

    We describe a hybrid MultiScale Finite Element-Finite Volume (h-MSFE-FV) framework for the simulation of single-phase Darcy flow through deformable porous media that exhibit highly heterogeneous poromechanical properties over a wide range of length scales. In such systems, high resolution characterizations are a key requirement to obtain reliable modeling predictions and motivate the development of multiscale solution strategies to cope with the computational burden. A coupled two-field fine-scale mixed FE-FV discretization of the governing equations, namely conservation laws of linear momentum and mass, is first implemented based on a displacement-pressure formulation. After imposing a coarse-scale grid on the given fine-scale problem, for the MSFE displacement stage, the coarse-scale basis functions are obtained by solving local equilibrium problems within coarse elements. Such MSFE stage is then coupled with the MSFV method for flow, in which a dual-coarse grid is introduced to obtain approximate but conservative multiscale solutions. Robustness and accuracy of the proposed multiscale framework is demonstrated using a variety of challenging test problems.

  17. Complexity and multifractal behaviors of multiscale-continuum percolation financial system for Chinese stock markets

    Science.gov (United States)

    Zeng, Yayun; Wang, Jun; Xu, Kaixuan

    2017-04-01

    A new financial agent-based time series model is developed and investigated by multiscale-continuum percolation system, which can be viewed as an extended version of continuum percolation system. In this financial model, for different parameters of proportion and density, two Poisson point processes (where the radii of points represent the ability of receiving or transmitting information among investors) are applied to model a random stock price process, in an attempt to investigate the fluctuation dynamics of the financial market. To validate its effectiveness and rationality, we compare the statistical behaviors and the multifractal behaviors of the simulated data derived from the proposed model with those of the real stock markets. Further, the multiscale sample entropy analysis is employed to study the complexity of the returns, and the cross-sample entropy analysis is applied to measure the degree of asynchrony of return autocorrelation time series. The empirical results indicate that the proposed financial model can simulate and reproduce some significant characteristics of the real stock markets to a certain extent.

  18. Cementitious artificial aggregate particles for high-skid resistance pavements

    OpenAIRE

    DE LARRARD, François; MARTINEZ CASTILLO, Rafael; SEDRAN, Thierry; HAUZA, Philippe; POIRIER, Jean Eric

    2012-01-01

    For some critical road sections, a high skid resistance of wearing course is required to minimise the risk of traffic accidents. Nowadays this skid resistance is mainly brought by the use of special aggregates as calcined bauxite, a scarce and expensive material. The paper presents a patented technology, where a special high-performance mortar is produced and crushed at early age. These cementitious artificial aggregates (CAA) can display aggregate properties close to those of calcined bauxit...

  19. Crushing damage estimation for pavement with lightly cementitious bases

    CSIR Research Space (South Africa)

    De Beer, Morris

    2014-07-01

    Full Text Available . Department of Transport. Pretoria, South Africa. Litwinowicz and De Beer., 2013. Long term crushing performance of lightly cementitious pavement materials – update to the South African procedures. Road Materials and Pavement Design. Maina, J.W., De... Beer, M. and van Rensburg, Y., 2013. Modelling Tyre-Road Contact Stresses in Pavement Design and Analysis. Proceedings of 32nd Southern Africa transport conference, Pretoria, July 2013. pp 336-345: SAPDM, (2014). http://www.sapdm.co.za/, last...

  20. Bench-scale feasibility testing of pulsed-air technology for in-tank mixing of dry cementitious solids with tank liquids and settled solids

    International Nuclear Information System (INIS)

    Whyatt, G.A.; Hymas, C.R.

    1997-09-01

    This report documents the results of testing performed to determine the feasibility of using a pulsed-air mixing technology (equipment developed by Pulsair Systems, Inc., Bellevue, WA) to mix cementitious dry solids with supernatant and settled solids within a horizontal tank. The mixing technology is being considered to provide in situ stabilization of the open-quotes Vclose quotes tanks at the Idaho National Engineering and Environmental Laboratory (INEEL). The testing was performed in a vessel roughly 1/6 the scale of the INEEL tanks. The tests used a fine soil to simulate settled solids and water to simulate tank supernatants. The cementitious dry materials consisted of Portland cement and Aquaset-2H (a product of Fluid Tech Inc. consisting of clay and Portland cement). Two scoping tests were conducted to allow suitable mixing parameters to be selected. The scoping tests used only visual observations during grout disassembly to assess mixing performance. After the scoping tests indicated the approach may be feasible, an additional two mixing tests were conducted. In addition to visual observations during disassembly of the solidified grout, these tests included addition of chemical tracers and chemical analysis of samples to determine the degree of mixing uniformity achieved. The final two mixing tests demonstrated that the pulsed-air mixing technique is capable of producing slurries containing substantially more cementitious dry solids than indicated by the formulations suggested by INEEL staff. Including additional cement in the formulation may have benefits in terms of increasing mobilization of solids, reducing water separation during curing, and increasing the strength of the solidified product. During addition to the tank, the cementitious solids had a tendency to form clumps which broke down with continued mixing

  1. Multiscale Cancer Modeling

    Science.gov (United States)

    Macklin, Paul; Cristini, Vittorio

    2013-01-01

    Simulating cancer behavior across multiple biological scales in space and time, i.e., multiscale cancer modeling, is increasingly being recognized as a powerful tool to refine hypotheses, focus experiments, and enable more accurate predictions. A growing number of examples illustrate the value of this approach in providing quantitative insight on the initiation, progression, and treatment of cancer. In this review, we introduce the most recent and important multiscale cancer modeling works that have successfully established a mechanistic link between different biological scales. Biophysical, biochemical, and biomechanical factors are considered in these models. We also discuss innovative, cutting-edge modeling methods that are moving predictive multiscale cancer modeling toward clinical application. Furthermore, because the development of multiscale cancer models requires a new level of collaboration among scientists from a variety of fields such as biology, medicine, physics, mathematics, engineering, and computer science, an innovative Web-based infrastructure is needed to support this growing community. PMID:21529163

  2. Multiscale Retinex

    Directory of Open Access Journals (Sweden)

    Ana Belén Petro

    2014-04-01

    Full Text Available While the retinex theory aimed at explaining human color perception, its derivations have led to efficient algorithms enhancing local image contrast, thus permitting among other features, to "see in the shadows". Among these derived algorithms, Multiscale Retinex is probably the most successful center-surround image filter. In this paper, we offer an analysis and implementation of Multiscale Retinex. We point out and resolve some ambiguities of the method. In particular, we show that the important color correction final step of the method can be seriously improved. This analysis permits to come up with an automatic implementation of Multiscale Retinex which is as faithful as possible to the one described in the original paper. Overall, this implementation delivers excellent results and confirms the validity of Multiscale Retinex for image color restoration and contrast enhancement. Nevertheless, while the method parameters can be fixed, we show that a crucial choice must be left to the user, depending on the lightning condition of the image: the method must either be applied to each color independently if a color balance is required, or to the luminance only if the goal is to achieve local contrast enhancement. Thus, we propose two slightly different algorithms to deal with both cases.

  3. Micro-structural characterization of the hydration products of bauxite-calcination-method red mud-coal gangue based cementitious materials.

    Science.gov (United States)

    Liu, Xiaoming; Zhang, Na; Yao, Yuan; Sun, Henghu; Feng, Huan

    2013-11-15

    In this research, the micro-structural characterization of the hydration products of red mud-coal gangue based cementitious materials has been investigated through SEM-EDS, (27)Al MAS NMR and (29)Si MAS NMR techniques, in which the used red mud was derived from the bauxite calcination method. The results show that the red mud-coal gangue based cementitious materials mainly form fibrous C-A-S-H gel, needle-shaped/rod-like AFt in the early hydration period. With increasing of the hydration period, densification of the pastes were promoted resulting in the development of strength. EDS analysis shows that with the Ca/Si of red mud-coal gangue based cementitious materials increases, the average Ca/Si and Ca/(Si+Al) atomic ratio of C-A-S-H gel increases, while the average Al/Si atomic ratio of C-A-S-H gel decreases. MAS NMR analysis reveals that Al in the hydration products of red mud-coal gangue based cementitious materials exists in the forms of Al(IV) and Al(VI), but mainly in the form of Al(VI). Increasing the Ca/Si ratio of raw material promotes the conversion of [AlO4] to [AlO6] and inhibits the combination between [AlO4] and [SiO4] to form C-A-S-H gel. Meanwhile, the polymerization degree of [SiO4] in the hydration products declines. Published by Elsevier B.V.

  4. Simulation of left atrial function using a multi-scale model of the cardiovascular system.

    Directory of Open Access Journals (Sweden)

    Antoine Pironet

    Full Text Available During a full cardiac cycle, the left atrium successively behaves as a reservoir, a conduit and a pump. This complex behavior makes it unrealistic to apply the time-varying elastance theory to characterize the left atrium, first, because this theory has known limitations, and second, because it is still uncertain whether the load independence hypothesis holds. In this study, we aim to bypass this uncertainty by relying on another kind of mathematical model of the cardiac chambers. In the present work, we describe both the left atrium and the left ventricle with a multi-scale model. The multi-scale property of this model comes from the fact that pressure inside a cardiac chamber is derived from a model of the sarcomere behavior. Macroscopic model parameters are identified from reference dog hemodynamic data. The multi-scale model of the cardiovascular system including the left atrium is then simulated to show that the physiological roles of the left atrium are correctly reproduced. This include a biphasic pressure wave and an eight-shaped pressure-volume loop. We also test the validity of our model in non basal conditions by reproducing a preload reduction experiment by inferior vena cava occlusion with the model. We compute the variation of eight indices before and after this experiment and obtain the same variation as experimentally observed for seven out of the eight indices. In summary, the multi-scale mathematical model presented in this work is able to correctly account for the three roles of the left atrium and also exhibits a realistic left atrial pressure-volume loop. Furthermore, the model has been previously presented and validated for the left ventricle. This makes it a proper alternative to the time-varying elastance theory if the focus is set on precisely representing the left atrial and left ventricular behaviors.

  5. Implementation of Grid-computing Framework for Simulation in Multi-scale Structural Analysis

    Directory of Open Access Journals (Sweden)

    Data Iranata

    2010-05-01

    Full Text Available A new grid-computing framework for simulation in multi-scale structural analysis is presented. Two levels of parallel processing will be involved in this framework: multiple local distributed computing environments connected by local network to form a grid-based cluster-to-cluster distributed computing environment. To successfully perform the simulation, a large-scale structural system task is decomposed into the simulations of a simplified global model and several detailed component models using various scales. These correlated multi-scale structural system tasks are distributed among clusters and connected together in a multi-level hierarchy and then coordinated over the internet. The software framework for supporting the multi-scale structural simulation approach is also presented. The program architecture design allows the integration of several multi-scale models as clients and servers under a single platform. To check its feasibility, a prototype software system has been designed and implemented to perform the proposed concept. The simulation results show that the software framework can increase the speedup performance of the structural analysis. Based on this result, the proposed grid-computing framework is suitable to perform the simulation of the multi-scale structural analysis.

  6. Interaction of low pH cementitious concretes with groundwaters

    International Nuclear Information System (INIS)

    Garcia Calvo, Jose Luis; Alonso, Maria Cruz; Hidalgo, Ana; Fernandez Luco, Luis

    2012-01-01

    Some engineering construction concepts for high level radioactive waste underground repositories consider the use of a bentonite barrier in contact with cementitious materials with a pore fluid pH value inferior or equal to 11 (based on low-pH cements) to maintain the bentonite stability. The research on low-pH cementitious materials is mainly addressed from two different approaches, one with Calcium Silicate Cements (OPC, Ordinary Portland Cement based), the other with Calcium Aluminates Cements (CAC based). The use of these both types of cements (OPC based or CAC based) implies the use of high mineral additions contents in the binder that should significantly modify most of the concrete 'standard' properties. Taking into account the long life expected in this type of repositories, parameters related to the durability of the low-pH concretes must be analyzed. This work shows some recent studies that deal with the evaluation of the resistance of low-pH concretes to long term groundwater aggression. After a presentation of the accelerated leaching test (based on a percolation method), results are given for the characterization of the leaching solution evolution and the evaluation of the modifications generated in the solid phases. Results show that the low-pH concretes evaluated have good resistance against groundwater interaction, although an altered front can be observed from the surface in all the tested samples

  7. Novel multiscale modeling tool applied to Pseudomonas aeruginosa biofilm formation.

    Directory of Open Access Journals (Sweden)

    Matthew B Biggs

    Full Text Available Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM and constraint-based metabolic modeling. The hybrid model correctly recapitulates oxygen-limited biofilm metabolic activity and predicts increased growth rate via anaerobic respiration with the addition of nitrate to the growth media. In addition, a genome-wide survey of metabolic mutants and biofilm formation exemplifies the powerful analyses that are enabled by this computational modeling tool.

  8. Novel multiscale modeling tool applied to Pseudomonas aeruginosa biofilm formation.

    Science.gov (United States)

    Biggs, Matthew B; Papin, Jason A

    2013-01-01

    Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet) as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM) and constraint-based metabolic modeling. The hybrid model correctly recapitulates oxygen-limited biofilm metabolic activity and predicts increased growth rate via anaerobic respiration with the addition of nitrate to the growth media. In addition, a genome-wide survey of metabolic mutants and biofilm formation exemplifies the powerful analyses that are enabled by this computational modeling tool.

  9. Fusing Multiscale Charts into 3D ENC Systems Based on Underwater Topography and Remote Sensing Image

    Directory of Open Access Journals (Sweden)

    Tao Liu

    2015-01-01

    Full Text Available The purpose of this study is to propose an approach to fuse multiscale charts into three-dimensional (3D electronic navigational chart (ENC systems based on underwater topography and remote sensing image. This is the first time that the fusion of multiscale standard ENCs in the 3D ENC system has been studied. First, a view-dependent visualization technology is presented for the determination of the display condition of a chart. Second, a map sheet processing method is described for dealing with the map sheet splice problem. A process order called “3D order” is designed to adapt to the characteristics of the chart. A map sheet clipping process is described to deal with the overlap between the adjacent map sheets. And our strategy for map sheet splice is proposed. Third, the rendering method for ENC objects in the 3D ENC system is introduced. Fourth, our picking-up method for ENC objects is proposed. Finally, we implement the above methods in our system: automotive intelligent chart (AIC 3D electronic chart display and information systems (ECDIS. And our method can handle the fusion problem well.

  10. The solubility of nickel and its migration through the cementitious backfill of a geological disposal facility for nuclear waste.

    Science.gov (United States)

    Felipe-Sotelo, M; Hinchliff, J; Field, L P; Milodowski, A E; Holt, J D; Taylor, S E; Read, D

    2016-08-15

    This work describes the solubility of nickel under the alkaline conditions anticipated in the near field of a cementitious repository for intermediate level nuclear waste. The measured solubility of Ni in 95%-saturated Ca(OH)2 solution is similar to values obtained in water equilibrated with a bespoke cementitious backfill material, on the order of 5×10(-7)M. Solubility in 0.02M NaOH is one order of magnitude lower. For all solutions, the solubility limiting phase is Ni(OH)2; powder X-ray diffraction and scanning transmission electron microscopy indicate that differences in crystallinity are the likely cause of the lower solubility observed in NaOH. The presence of cellulose degradation products causes an increase in the solubility of Ni by approximately one order of magnitude. The organic compounds significantly increase the rate of Ni transport under advective conditions and show measurable diffusive transport through intact monoliths of the cementitious backfill material. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Multiscale KF Algorithm for Strong Fractional Noise Interference Suppression in Discrete-Time UWB Systems

    Directory of Open Access Journals (Sweden)

    Liyun Su

    2011-01-01

    Full Text Available In order to suppress the interference of the strong fractional noise signal in discrete-time ultrawideband (UWB systems, this paper presents a new UWB multi-scale Kalman filter (KF algorithm for the interference suppression. This approach solves the problem of the narrowband interference (NBI as nonstationary fractional signal in UWB communication, which does not need to estimate any channel parameter. In this paper, the received sampled signal is transformed through multiscale wavelet to obtain a state transition equation and an observation equation based on the stationarity theory of wavelet coefficients in time domain. Then through the Kalman filter method, fractional signal of arbitrary scale is easily figured out. Finally, fractional noise interference is subtracted from the received signal. Performance analysis and computer simulations reveal that this algorithm is effective to reduce the strong fractional noise when the sampling rate is low.

  12. Multi-scale analysis of lung computed tomography images

    CERN Document Server

    Gori, I; Fantacci, M E; Preite Martinez, A; Retico, A; De Mitri, I; Donadio, S; Fulcheri, C

    2007-01-01

    A computer-aided detection (CAD) system for the identification of lung internal nodules in low-dose multi-detector helical Computed Tomography (CT) images was developed in the framework of the MAGIC-5 project. The three modules of our lung CAD system, a segmentation algorithm for lung internal region identification, a multi-scale dot-enhancement filter for nodule candidate selection and a multi-scale neural technique for false positive finding reduction, are described. The results obtained on a dataset of low-dose and thin-slice CT scans are shown in terms of free response receiver operating characteristic (FROC) curves and discussed.

  13. Hierarchical multiscale modeling for flows in fractured media using generalized multiscale finite element method

    KAUST Repository

    Efendiev, Yalchin R.

    2015-06-05

    In this paper, we develop a multiscale finite element method for solving flows in fractured media. Our approach is based on generalized multiscale finite element method (GMsFEM), where we represent the fracture effects on a coarse grid via multiscale basis functions. These multiscale basis functions are constructed in the offline stage via local spectral problems following GMsFEM. To represent the fractures on the fine grid, we consider two approaches (1) discrete fracture model (DFM) (2) embedded fracture model (EFM) and their combination. In DFM, the fractures are resolved via the fine grid, while in EFM the fracture and the fine grid block interaction is represented as a source term. In the proposed multiscale method, additional multiscale basis functions are used to represent the long fractures, while short-size fractures are collectively represented by a single basis functions. The procedure is automatically done via local spectral problems. In this regard, our approach shares common concepts with several approaches proposed in the literature as we discuss. We would like to emphasize that our goal is not to compare DFM with EFM, but rather to develop GMsFEM framework which uses these (DFM or EFM) fine-grid discretization techniques. Numerical results are presented, where we demonstrate how one can adaptively add basis functions in the regions of interest based on error indicators. We also discuss the use of randomized snapshots (Calo et al. Randomized oversampling for generalized multiscale finite element methods, 2014), which reduces the offline computational cost.

  14. Discrete Model for the Structure and Strength of Cementitious Materials

    Science.gov (United States)

    Balopoulos, Victor D.; Archontas, Nikolaos; Pantazopoulou, Stavroula J.

    2017-12-01

    Cementitious materials are characterized by brittle behavior in direct tension and by transverse dilatation (due to microcracking) under compression. Microcracking causes increasingly larger transverse strains and a phenomenological Poisson's ratio that gradually increases to about ν =0.5 and beyond, at the limit point in compression. This behavior is due to the underlying structure of cementitious pastes which is simulated here with a discrete physical model. The computational model is generic, assembled from a statistically generated, continuous network of flaky dendrites consisting of cement hydrates that emanate from partially hydrated cement grains. In the actual amorphous material, the dendrites constitute the solid phase of the cement gel and interconnect to provide the strength and stiffness against load. The idealized dendrite solid is loaded in compression and tension to compute values for strength and Poisson's effects. Parametric studies are conducted, to calibrate the statistical parameters of the discrete model with the physical and mechanical characteristics of the material, so that the familiar experimental trends may be reproduced. The model provides a framework for the study of the mechanical behavior of the material under various states of stress and strain and can be used to model the effects of additives (e.g., fibers) that may be explicitly simulated in the discrete structure.

  15. Multiscale Model Reduction with Generalized Multiscale Finite Element Methods in Geomathematics

    KAUST Repository

    Efendiev, Yalchin R.; Presho, Michael

    2015-01-01

    In this chapter, we discuss multiscale model reduction using Generalized Multiscale Finite Element Methods (GMsFEM) in a number of geomathematical applications. GMsFEM has been recently introduced (Efendiev et al. 2012) and applied to various problems. In the current chapter, we consider some of these applications and outline the basic methodological concepts.

  16. Multiscale Model Reduction with Generalized Multiscale Finite Element Methods in Geomathematics

    KAUST Repository

    Efendiev, Yalchin R.

    2015-09-02

    In this chapter, we discuss multiscale model reduction using Generalized Multiscale Finite Element Methods (GMsFEM) in a number of geomathematical applications. GMsFEM has been recently introduced (Efendiev et al. 2012) and applied to various problems. In the current chapter, we consider some of these applications and outline the basic methodological concepts.

  17. A Posteriori Analysis of Adaptive Multiscale Operator Decomposition Methods for Multiphysics Problems

    Energy Technology Data Exchange (ETDEWEB)

    Donald Estep; Michael Holst; Simon Tavener

    2010-02-08

    This project was concerned with the accurate computational error estimation for numerical solutions of multiphysics, multiscale systems that couple different physical processes acting across a large range of scales relevant to the interests of the DOE. Multiscale, multiphysics models are characterized by intimate interactions between different physics across a wide range of scales. This poses significant computational challenges addressed by the proposal, including: (1) Accurate and efficient computation; (2) Complex stability; and (3) Linking different physics. The research in this project focused on Multiscale Operator Decomposition methods for solving multiphysics problems. The general approach is to decompose a multiphysics problem into components involving simpler physics over a relatively limited range of scales, and then to seek the solution of the entire system through some sort of iterative procedure involving solutions of the individual components. MOD is a very widely used technique for solving multiphysics, multiscale problems; it is heavily used throughout the DOE computational landscape. This project made a major advance in the analysis of the solution of multiscale, multiphysics problems.

  18. Multiscale stabilization for convection-dominated diffusion in heterogeneous media

    KAUST Repository

    Calo, Victor M.

    2016-02-23

    We develop a Petrov-Galerkin stabilization method for multiscale convection-diffusion transport systems. Existing stabilization techniques add a limited number of degrees of freedom in the form of bubble functions or a modified diffusion, which may not be sufficient to stabilize multiscale systems. We seek a local reduced-order model for this kind of multiscale transport problems and thus, develop a systematic approach for finding reduced-order approximations of the solution. We start from a Petrov-Galerkin framework using optimal weighting functions. We introduce an auxiliary variable to a mixed formulation of the problem. The auxiliary variable stands for the optimal weighting function. The problem reduces to finding a test space (a dimensionally reduced space for this auxiliary variable), which guarantees that the error in the primal variable (representing the solution) is close to the projection error of the full solution on the dimensionally reduced space that approximates the solution. To find the test space, we reformulate some recent mixed Generalized Multiscale Finite Element Methods. We introduce snapshots and local spectral problems that appropriately define local weight and trial spaces. In particular, we use energy minimizing snapshots and local spectral decompositions in the natural norm associated with the auxiliary variable. The resulting spectral decomposition adaptively identifies and builds the optimal multiscale space to stabilize the system. We discuss the stability and its relation to the approximation property of the test space. We design online basis functions, which accelerate convergence in the test space, and consequently, improve stability. We present several numerical examples and show that one needs a few test functions to achieve an error similar to the projection error in the primal variable irrespective of the Peclet number.

  19. Exploring Polymer-Modified Concrete and Cementitious Coating with High-Durability for Roadside Structures in Xinjiang, China

    Directory of Open Access Journals (Sweden)

    Yinchuan Guo

    2017-01-01

    Full Text Available The concrete roadside structures in Xinjiang, China, such as roadside barriers, bridge rails, and drainage holes, are severely damaged by the coupled effect of seasonal freeze-thaw cycles and deicer salts. To solve the corrosion problems of roadside structures, polymer-modified concrete was recommended for the future construction of roadside structures and polymer-modified cementitious coating was suggested for the protection of the current corroded ones. In this study, air-entraining agent and carboxylated styrene-butadiene latex were added for concrete modification and the corresponding performance tests were conducted. In addition, the performances of six types of readily available coating materials, including the acrylic latex modified cementitious coating designed in this study, were tested in freeze-thaw condition with the presence of chloride ions. The results show that 0.013% of the air-entraining agent and 10% of the carboxylated styrene-butadiene latex were appropriate dosage rates for the modification of Portland cement concrete, in terms of the improvement of the freeze-thaw resistance, compressive strength, and chloride impermeability. For the protection of the current corroded roadside structures, the acrylic-modified cementitious coating material demonstrated a good performance and the field monitoring confirmed that the coating is suitable for the protection of the roadside structures in Xinjiang.

  20. Distributed multiscale computing with MUSCLE 2, the Multiscale Coupling Library and Environment

    NARCIS (Netherlands)

    Borgdorff, J.; Mamonski, M.; Bosak, B.; Kurowski, K.; Ben Belgacem, M.; Chopard, B.; Groen, D.; Coveney, P.V.; Hoekstra, A.G.

    2014-01-01

    We present the Multiscale Coupling Library and Environment: MUSCLE 2. This multiscale component-based execution environment has a simple to use Java, C++, C, Python and Fortran API, compatible with MPI, OpenMP and threading codes. We demonstrate its local and distributed computing capabilities and

  1. Research on optimizing components of microfine high-performance composite cementitious materials

    International Nuclear Information System (INIS)

    Hu Shuguang; Guan Xuemao; Ding Qingjun

    2002-01-01

    The relationship between material components and mechanical properties was studied in terms of composite material principles and orthogonal experimental design. Moreover, the microstructure of microfine high-performance composite cementitious material (MHPCC) paste was investigated by means of scanning electron microscopy (SEM) methods. The results showed that the composite material consisting of blast furnace slag (BFS), gypsum (G 2 ) and expansive agent (EA) could obviously improve the strength of the cementitious material containing 40% fly ash (FA). Although microfine cement (MC) was merely 45% percent of the MHPCC, the compressive strength of MHPCC paste was higher than that of neat MC paste. BFS played an important role in MHPCC. The optimum-added quantity of BFS was 15%. The needle-shaped ettringite obtained from the EA reacting with Ca(OH) 2 forms a three-dimensional network structure, which not only improved the early strength of MHPCC paste but also increased its late strength. The reason was that the network structure, which was similar to a fiber-reinforced composite, was formed in the late period of hydration with the progress of hydration and the deposition of hydration products into the network structure

  2. Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems

    International Nuclear Information System (INIS)

    Kovalenko, Andriy

    2014-01-01

    enables rational design of CNC-based bionanocomposite materials and systems. Furthermore, the 3D-RISM-KH based multiscale modeling addresses the effect of hemicellulose and lignin composition on nanoscale forces that control cell wall strength towards overcoming plant biomass recalcitrance. It reveals molecular forces maintaining the cell wall structure and provides directions for genetic modulation of plants and pretreatment design to render biomass more amenable to processing. We envision integrated biomass valorization based on extracting and decomposing the non-cellulosic components to low molecular weight chemicals and utilizing the cellulose microfibrils to make CNC. This is an important alternative to approaches of full conversion of lignocellulose to biofuels that face challenges arising from the deleterious impact of cellulose crystallinity on enzymatic processing

  3. Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems

    Science.gov (United States)

    Kovalenko, Andriy

    2014-08-01

    enables rational design of CNC-based bionanocomposite materials and systems. Furthermore, the 3D-RISM-KH based multiscale modeling addresses the effect of hemicellulose and lignin composition on nanoscale forces that control cell wall strength towards overcoming plant biomass recalcitrance. It reveals molecular forces maintaining the cell wall structure and provides directions for genetic modulation of plants and pretreatment design to render biomass more amenable to processing. We envision integrated biomass valorization based on extracting and decomposing the non-cellulosic components to low molecular weight chemicals and utilizing the cellulose microfibrils to make CNC. This is an important alternative to approaches of full conversion of lignocellulose to biofuels that face challenges arising from the deleterious impact of cellulose crystallinity on enzymatic processing.

  4. Effect of total cementitious content on shear strength of high-volume fly ash concrete beams

    International Nuclear Information System (INIS)

    Arezoumandi, Mahdi; Volz, Jeffery S.; Ortega, Carlos A.; Myers, John J.

    2013-01-01

    Highlights: ► Existing design standards conservatively predicted the capacity of the HVFAC beams. ► In general, the HVFAC beams exceeded the code predicted shear strengths. ► The cementitious content did not have effect on the shear behavior of the HVFAC beams. - Abstract: The production of portland cement – the key ingredient in concrete – generates a significant amount of carbon dioxide. However, due to its incredible versatility, availability, and relatively low cost, concrete is the most consumed manmade material on the planet. One method of reducing concrete’s contribution to greenhouse gas emissions is the use of fly ash to replace a significant amount of the cement. This paper compares two experimental studies that were conducted to investigate the shear strength of full-scale beams constructed with high-volume fly ash concrete (HVFAC) – concrete with at least 50% of the cement replaced with fly ash. The primary difference between the two studies involved the amount of cementitious material, with one mix having a relatively high total cementitious content (502 kg/m 3 ) and the other mix having a relatively low total cementitious content (337 kg/m 3 ). Both mixes utilized a 70% replacement of portland cement with a Class C fly ash. Each of these experimental programs consisted of eight beams (six without shear reinforcing and two with shear reinforcing in the form of stirrups) with three different longitudinal reinforcement ratios. The beams were tested under a simply supported four-point loading condition. The experimental shear strengths of the beams were compared with both the shear provisions of selected standards (US, Australia, Canada, Europe, and Japan) and a shear database of conventional concrete (CC) specimens. Furthermore, statistical data analyses (both parametric and nonparametric) were performed to evaluate whether or not there is any statistically significant difference between the shear strength of both mixes. Results of these

  5. The Adaptive Multi-scale Simulation Infrastructure

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, William R. [Rensselaer Polytechnic Inst., Troy, NY (United States)

    2015-09-01

    The Adaptive Multi-scale Simulation Infrastructure (AMSI) is a set of libraries and tools developed to support the development, implementation, and execution of general multimodel simulations. Using a minimal set of simulation meta-data AMSI allows for minimally intrusive work to adapt existent single-scale simulations for use in multi-scale simulations. Support for dynamic runtime operations such as single- and multi-scale adaptive properties is a key focus of AMSI. Particular focus has been spent on the development on scale-sensitive load balancing operations to allow single-scale simulations incorporated into a multi-scale simulation using AMSI to use standard load-balancing operations without affecting the integrity of the overall multi-scale simulation.

  6. Multiscale time-splitting strategy for multiscale multiphysics processes of two-phase flow in fractured media

    KAUST Repository

    Sun, S.; Kou, J.; Yu, B.

    2011-01-01

    The temporal discretization scheme is one important ingredient of efficient simulator for two-phase flow in the fractured porous media. The application of single-scale temporal scheme is restricted by the rapid changes of the pressure and saturation in the fractured system with capillarity. In this paper, we propose a multi-scale time splitting strategy to simulate multi-scale multi-physics processes of two-phase flow in fractured porous media. We use the multi-scale time schemes for both the pressure and saturation equations; that is, a large time-step size is employed for the matrix domain, along with a small time-step size being applied in the fractures. The total time interval is partitioned into four temporal levels: the first level is used for the pressure in the entire domain, the second level matching rapid changes of the pressure in the fractures, the third level treating the response gap between the pressure and the saturation, and the fourth level applied for the saturation in the fractures. This method can reduce the computational cost arisen from the implicit solution of the pressure equation. Numerical examples are provided to demonstrate the efficiency of the proposed method.

  7. Multiscale simulation of molecular processes in cellular environments.

    Science.gov (United States)

    Chiricotto, Mara; Sterpone, Fabio; Derreumaux, Philippe; Melchionna, Simone

    2016-11-13

    We describe the recent advances in studying biological systems via multiscale simulations. Our scheme is based on a coarse-grained representation of the macromolecules and a mesoscopic description of the solvent. The dual technique handles particles, the aqueous solvent and their mutual exchange of forces resulting in a stable and accurate methodology allowing biosystems of unprecedented size to be simulated.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

  8. Significance of Shrinkage Induced Clamping Pressure in Fiber-Matrix Bonding in Cementitious Composite Materials

    DEFF Research Database (Denmark)

    Stang, Henrik

    1996-01-01

    used in high performance cementitious composite materials.Assuming a Coulomb type of friction on the fiber/matrix interface andusing typical values for the frictional coefficient it is shownthat the shrinkage induced clamping pressure could be one of the mostimportant factors determining the frictional...

  9. Concussion As a Multi-Scale Complex System: An Interdisciplinary Synthesis of Current Knowledge

    Directory of Open Access Journals (Sweden)

    Erin S. Kenzie

    2017-09-01

    Full Text Available Traumatic brain injury (TBI has been called “the most complicated disease of the most complex organ of the body” and is an increasingly high-profile public health issue. Many patients report long-term impairments following even “mild” injuries, but reliable criteria for diagnosis and prognosis are lacking. Every clinical trial for TBI treatment to date has failed to demonstrate reliable and safe improvement in outcomes, and the existing body of literature is insufficient to support the creation of a new classification system. Concussion, or mild TBI, is a highly heterogeneous phenomenon, and numerous factors interact dynamically to influence an individual’s recovery trajectory. Many of the obstacles faced in research and clinical practice related to TBI and concussion, including observed heterogeneity, arguably stem from the complexity of the condition itself. To improve understanding of this complexity, we review the current state of research through the lens provided by the interdisciplinary field of systems science, which has been increasingly applied to biomedical issues. The review was conducted iteratively, through multiple phases of literature review, expert interviews, and systems diagramming and represents the first phase in an effort to develop systems models of concussion. The primary focus of this work was to examine concepts and ways of thinking about concussion that currently impede research design and block advancements in care of TBI. Results are presented in the form of a multi-scale conceptual framework intended to synthesize knowledge across disciplines, improve research design, and provide a broader, multi-scale model for understanding concussion pathophysiology, classification, and treatment.

  10. A multiscale modeling approach for biomolecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Bowling, Alan, E-mail: bowling@uta.edu; Haghshenas-Jaryani, Mahdi, E-mail: mahdi.haghshenasjaryani@mavs.uta.edu [The University of Texas at Arlington, Department of Mechanical and Aerospace Engineering (United States)

    2015-04-15

    This paper presents a new multiscale molecular dynamic model for investigating the effects of external interactions, such as contact and impact, during stepping and docking of motor proteins and other biomolecular systems. The model retains the mass properties ensuring that the result satisfies Newton’s second law. This idea is presented using a simple particle model to facilitate discussion of the rigid body model; however, the particle model does provide insights into particle dynamics at the nanoscale. The resulting three-dimensional model predicts a significant decrease in the effect of the random forces associated with Brownian motion. This conclusion runs contrary to the widely accepted notion that the motor protein’s movements are primarily the result of thermal effects. This work focuses on the mechanical aspects of protein locomotion; the effect ATP hydrolysis is estimated as internal forces acting on the mechanical model. In addition, the proposed model can be numerically integrated in a reasonable amount of time. Herein, the differences between the motion predicted by the old and new modeling approaches are compared using a simplified model of myosin V.

  11. Toward multiscale modelings of grain-fluid systems

    Science.gov (United States)

    Chareyre, Bruno; Yuan, Chao; Montella, Eduard P.; Salager, Simon

    2017-06-01

    Computationally efficient methods have been developed for simulating partially saturated granular materials in the pendular regime. In contrast, one hardly avoid expensive direct resolutions of 2-phase fluid dynamics problem for mixed pendular-funicular situations or even saturated regimes. Following previous developments for single-phase flow, a pore-network approach of the coupling problems is described. The geometry and movements of phases and interfaces are described on the basis of a tetrahedrization of the pore space, introducing elementary objects such as bridge, meniscus, pore body and pore throat, together with local rules of evolution. As firmly established local rules are still missing on some aspects (entry capillary pressure and pore-scale pressure-saturation relations, forces on the grains, or kinetics of transfers in mixed situations) a multi-scale numerical framework is introduced, enhancing the pore-network approach with the help of direct simulations. Small subsets of a granular system are extracted, in which multiphase scenario are solved using the Lattice-Boltzman method (LBM). In turns, a global problem is assembled and solved at the network scale, as illustrated by a simulated primary drainage.

  12. Shear behavior of reinforced Engineered Cementitious Composites (ECC) beams

    DEFF Research Database (Denmark)

    Paegle, Ieva; Fischer, Gregor

    2010-01-01

    This paper describes an experimental investigation of the shear behavior of beams consisting of steel reinforced Engineered Cementitious Composites (ECC). Based on the strain hardening and multiple cracking behavior of ECC, this study investigates the extent to which ECC can improve the shear...... capacity of beams loaded primarily in shear and if ECC can partially or fully replace the conventional transverse steel reinforcement in beams. However, there is a lack of understanding of how the fibers affect the shear carrying capacity and deformation behavior of structural members if used either...

  13. APPLICATION OF THE MODELS-3 COMMUNITY MULTI-SCALE AIR QUALITY (CMAQ) MODEL SYSTEM TO SOS/NASHVILLE 1999

    Science.gov (United States)

    The Models-3 Community Multi-scale Air Quality (CMAQ) model, first released by the USEPA in 1999 (Byun and Ching. 1999), continues to be developed and evaluated. The principal components of the CMAQ system include a comprehensive emission processor known as the Sparse Matrix O...

  14. Micro-structural characterization of the hydration products of bauxite-calcination-method red mud-coal gangue based cementitious materials

    International Nuclear Information System (INIS)

    Liu, Xiaoming; Zhang, Na; Yao, Yuan; Sun, Henghu; Feng, Huan

    2013-01-01

    Highlights: • Al IV and Al VI both exist in the hydration products. • Increase of Ca/Si ratio promotes the conversion from [AlO 4 ] to [AlO 6 ]. • Polymerization degree of [SiO 4 ] in the hydration products declines. -- Abstract: In this research, the micro-structural characterization of the hydration products of red mud-coal gangue based cementitious materials has been investigated through SEM-EDS, 27 Al MAS NMR and 29 Si MAS NMR techniques, in which the used red mud was derived from the bauxite calcination method. The results show that the red mud-coal gangue based cementitious materials mainly form fibrous C-A-S-H gel, needle-shaped/rod-like AFt in the early hydration period. With increasing of the hydration period, densification of the pastes were promoted resulting in the development of strength. EDS analysis shows that with the Ca/Si of red mud-coal gangue based cementitious materials increases, the average Ca/Si and Ca/(Si + Al) atomic ratio of C-A-S-H gel increases, while the average Al/Si atomic ratio of C-A-S-H gel decreases. MAS NMR analysis reveals that Al in the hydration products of red mud-coal gangue based cementitious materials exists in the forms of Al IV and Al VI , but mainly in the form of Al VI . Increasing the Ca/Si ratio of raw material promotes the conversion of [AlO 4 ] to [AlO 6 ] and inhibits the combination between [AlO 4 ] and [SiO 4 ] to form C-A-S-H gel. Meanwhile, the polymerization degree of [SiO 4 ] in the hydration products declines

  15. Generalized multiscale finite element methods for problems in perforated heterogeneous domains

    KAUST Repository

    Chung, Eric T.

    2015-06-08

    Complex processes in perforated domains occur in many real-world applications. These problems are typically characterized by physical processes in domains with multiple scales. Moreover, these problems are intrinsically multiscale and their discretizations can yield very large linear or nonlinear systems. In this paper, we investigate multiscale approaches that attempt to solve such problems on a coarse grid by constructing multiscale basis functions in each coarse grid, where the coarse grid can contain many perforations. In particular, we are interested in cases when there is no scale separation and the perforations can have different sizes. In this regard, we mention some earlier pioneering works, where the authors develop multiscale finite element methods. In our paper, we follow Generalized Multiscale Finite Element Method (GMsFEM) and develop a multiscale procedure where we identify multiscale basis functions in each coarse block using snapshot space and local spectral problems. We show that with a few basis functions in each coarse block, one can approximate the solution, where each coarse block can contain many small inclusions. We apply our general concept to (1) Laplace equation in perforated domains; (2) elasticity equation in perforated domains; and (3) Stokes equations in perforated domains. Numerical results are presented for these problems using two types of heterogeneous perforated domains. The analysis of the proposed methods will be presented elsewhere. © 2015 Taylor & Francis

  16. Multiscale Modeling in the Clinic: Drug Design and Development

    Energy Technology Data Exchange (ETDEWEB)

    Clancy, Colleen E.; An, Gary; Cannon, William R.; Liu, Yaling; May, Elebeoba E.; Ortoleva, Peter; Popel, Aleksander S.; Sluka, James P.; Su, Jing; Vicini, Paolo; Zhou, Xiaobo; Eckmann, David M.

    2016-02-17

    A wide range of length and time scales are relevant to pharmacology, especially in drug development, drug design and drug delivery. Therefore, multi-scale computational modeling and simulation methods and paradigms that advance the linkage of phenomena occurring at these multiple scales have become increasingly important. Multi-scale approaches present in silico opportunities to advance laboratory research to bedside clinical applications in pharmaceuticals research. This is achievable through the capability of modeling to reveal phenomena occurring across multiple spatial and temporal scales, which are not otherwise readily accessible to experimentation. The resultant models, when validated, are capable of making testable predictions to guide drug design and delivery. In this review we describe the goals, methods, and opportunities of multi-scale modeling in drug design and development. We demonstrate the impact of multiple scales of modeling in this field. We indicate the common mathematical techniques employed for multi-scale modeling approaches used in pharmacology and present several examples illustrating the current state-of-the-art regarding drug development for: Excitable Systems (Heart); Cancer (Metastasis and Differentiation); Cancer (Angiogenesis and Drug Targeting); Metabolic Disorders; and Inflammation and Sepsis. We conclude with a focus on barriers to successful clinical translation of drug development, drug design and drug delivery multi-scale models.

  17. Multiscale analysis and computation for flows in heterogeneous media

    Energy Technology Data Exchange (ETDEWEB)

    Efendiev, Yalchin [Texas A & M Univ., College Station, TX (United States); Hou, T. Y. [California Inst. of Technology (CalTech), Pasadena, CA (United States); Durlofsky, L. J. [Stanford Univ., CA (United States); Tchelepi, H. [Stanford Univ., CA (United States)

    2016-08-04

    Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scale basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics. Below, we present a brief overview of each of these contributions.

  18. A concurrent multiscale micromorphic molecular dynamics

    International Nuclear Information System (INIS)

    Li, Shaofan; Tong, Qi

    2015-01-01

    In this work, we have derived a multiscale micromorphic molecular dynamics (MMMD) from first principle to extend the (Andersen)-Parrinello-Rahman molecular dynamics to mesoscale and continuum scale. The multiscale micromorphic molecular dynamics is a con-current three-scale dynamics that couples a fine scale molecular dynamics, a mesoscale micromorphic dynamics, and a macroscale nonlocal particle dynamics together. By choosing proper statistical closure conditions, we have shown that the original Andersen-Parrinello-Rahman molecular dynamics is the homogeneous and equilibrium case of the proposed multiscale micromorphic molecular dynamics. In specific, we have shown that the Andersen-Parrinello-Rahman molecular dynamics can be rigorously formulated and justified from first principle, and its general inhomogeneous case, i.e., the three scale con-current multiscale micromorphic molecular dynamics can take into account of macroscale continuum mechanics boundary condition without the limitation of atomistic boundary condition or periodic boundary conditions. The discovered multiscale scale structure and the corresponding multiscale dynamics reveal a seamless transition from atomistic scale to continuum scale and the intrinsic coupling mechanism among them based on first principle formulation

  19. Secondary Waste Cementitious Waste Form Data Package for the Integrated Disposal Facility Performance Assessment

    Energy Technology Data Exchange (ETDEWEB)

    Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Westsik, Joseph H. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Serne, R Jeffrey [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Um, Wooyong [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Cozzi, Alex D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-05-16

    A review of the most up-to-date and relevant data currently available was conducted to develop a set of recommended values for use in the Integrated Disposal Facility (IDF) performance assessment (PA) to model contaminant release from a cementitious waste form for aqueous wastes treated at the Hanford Effluent Treatment Facility (ETF). This data package relies primarily upon recent data collected on Cast Stone formulations fabricated with simulants of low-activity waste (LAW) and liquid secondary wastes expected to be produced at Hanford. These data were supplemented, when necessary, with data developed for saltstone (a similar grout waste form used at the Savannah River Site). Work is currently underway to collect data on cementitious waste forms that are similar to Cast Stone and saltstone but are tailored to the characteristics of ETF-treated liquid secondary wastes. Recommended values for key parameters to conduct PA modeling of contaminant release from ETF-treated liquid waste are provided.

  20. The influence of superabsorbent polymers on the autogenous shrinkage properties of cement pastes with supplementary cementitious materials

    DEFF Research Database (Denmark)

    Snoeck, D.; Jensen, Ole Mejlhede; De Belie, N.

    2015-01-01

    Fly ash and blast-furnace slag containing binders are frequently used in the construction industry and it is important to know the extent of autogenous shrinkage and its (ideal) mitigation by superabsorbent polymers in these systems as a function of their age. In this paper, the autogenous...... shrinkage was determined by manual and automated shrinkage measurements. Autogenous shrinkage was reduced in cement pastes with the supplementary cementitious materials versus Portland cement pastes. At later ages, the rate of autogenous shrinkage is higher due to the pozzolanic activity. Internal curing...

  1. The measurement and estimation method of the sorption of lead onto cementitious materials

    International Nuclear Information System (INIS)

    Nakanishi, Kiyoshi; Tsukamoto, Masaki; Fujita, Tomonari; Sugiyama, Daisuke

    2002-01-01

    Cementitious material is a potential waste packaging material for radioactive waste disposal, and is expected to provide chemical containment. In particular, the sorption of radionuclides onto cementitious material is a very important parameter when considering the release of radionuclides from radioactive waste. In this study, sorption of lead, onto hydrated Ordinary Portland Cement (OPC), OPC/Blast Furnace Slag blended cement (BFS), Highly containing Flyash and Silica Fume Cement (HFSC) and cement constituent minerals (portlandite, ettringite, hydrotalcite and C-S-H gels (Ca/Si = 0.9 and 1.65)) was measured using the batch sorption technique. Lead is one of the important nuclides for safety assessment. The obtained distribution ratios, Rd values, for sorption of lead onto hydrated (freshly cured) OPC and HFSC are very high:>1000 cm3g-1. The distribution ratio for sorption of lead onto OPC/BFS could not be determined quantitatively due to the precipitation of PbS. Comparing the Rd values onto cements and minerals, it was suggested the sorption onto C-S-H gel phases dominate the sorption for lead onto hydrated cements. Once a cementitious material is altered in the disposal environment, its sorption ability may be affected. The sorption of lead onto degraded OPC and degraded HFSC, which were altered in the presence of distilled water, was also measured. It was observed that the alteration did not cause changes that decreased the sorption of lead onto OPC and HFSC. An approach, in which it is assumed that each of the component phases contributes to the composite material, is proposed and discussed to describe the sorption of lead onto cement using a knowledge of the phase components in a linear additive manner. The results showed reasonably good agreement between the predicted and measured Rd values for lead onto freshly cured and altered cements. (author)

  2. DURABILITY OF GREEN CONCRETE WITH TERNARY CEMENTITIOUS SYSTEM CONTAINING RECYCLED AGGREGATE CONCRETE AND TIRE RUBBER WASTES

    Directory of Open Access Journals (Sweden)

    MAJID MATOUQ ASSAS

    2016-06-01

    Full Text Available All over the world billions of tires are being discarded and buried representing a serious ecological threat. Up to now a small part is recycled and millions of tires are just stockpiled, landfilled or buried. This paper presents results about the properties and the durability of green concrete contains recycled concrete as a coarse aggregate with partial replacement of sand by tire rubber wastes for pavement use. Ternary cementious system, Silica fume, Fly ash and Cement Kiln Dust are used as partial replacement of cement by weight. Each one replaced 10% of cement weight to give a total replacement of 30%. The durability performance was assessed by means of water absorption, chloride ion permeability at 28 and 90 days, and resistance to sulphuric acid attack at 1, 7, 14 and 28 days. Also to the compression behaviors for the tested specimens at 7, 14, 28 and 90 days were detected. The results show the existence of ternary cementitious system, silica fly ash and Cement Kiln Dust minimizes the strength loss associated to the use of rubber waste. In this way, up to 10% rubber content and 30% ternary cementious system an adequate strength class value (30 MPa, as required for a wide range of common structural uses, can be reached both through natural aggregate concrete and recycled aggregate concrete. Results also show that, it is possible to use rubber waste up to 15% and still maintain a high resistance to acid attack. The mixes with 10%silica fume, 10% fly ash and 10% Cement Kiln Dust show a higher resistance to sulphuric acid attack than the reference mix independently of the rubber waste content. The mixes with rubber waste and ternary cementious system was a lower resistance to sulphuric acid attack than the reference mix.

  3. Towards distributed multiscale computing for the VPH

    NARCIS (Netherlands)

    Hoekstra, A.G.; Coveney, P.

    2010-01-01

    Multiscale modeling is fundamental to the Virtual Physiological Human (VPH) initiative. Most detailed three-dimensional multiscale models lead to prohibitive computational demands. As a possible solution we present MAPPER, a computational science infrastructure for Distributed Multiscale Computing

  4. A distributed multiscale computation of a tightly coupled model using the Multiscale Modeling Language

    NARCIS (Netherlands)

    Borgdorff, J.; Bona-Casas, C.; Mamonski, M.; Kurowski, K.; Piontek, T.; Bosak, B.; Rycerz, K.; Ciepiela, E.; Gubala, T.; Harezlak, D.; Bubak, M.; Lorenz, E.; Hoekstra, A.G.

    2012-01-01

    Nature is observed at all scales; with multiscale modeling, scientists bring together several scales for a holistic analysis of a phenomenon. The models on these different scales may require significant but also heterogeneous computational resources, creating the need for distributed multiscale

  5. Recycling polyethylene terephthalate wastes as short fibers in Strain-Hardening Cementitious Composites (SHCC).

    Science.gov (United States)

    Lin, Xiuyi; Yu, Jing; Li, Hedong; Lam, Jeffery Y K; Shih, Kaimin; Sham, Ivan M L; Leung, Christopher K Y

    2018-05-26

    As an important portion of the total plastic waste bulk but lack of reuse and recycling, the enormous amounts of polyethylene terephthalate (PET) solid wastes have led to serious environmental issues. This study explores the feasibility of recycling PET solid wastes as short fibers in Strain-Hardening Cementitious Composites (SHCCs), which exhibit strain-hardening and multiple cracking under tension, and therefore have clear advantages over conventional concrete for many construction applications. Based on micromechanical modeling, fiber dispersion and alkali resistance, the size of recycled PET fibers was first determined. Then the hydrophobic PET surface was treated with NaOH solution followed by a silane coupling agent to achieve the dual purpose of improving the fiber/matrix interfacial frictional bond (from 0.64 MPa to 0.80 MPa) and enhancing the alkali resistance for applications in alkaline cementitious environment. With surface treatment, recycling PET wastes as fibers in SHCCs is a promising approach to significantly reduce the material cost of SHCCs while disposing hazardous PET wastes in construction industry. Copyright © 2018 Elsevier B.V. All rights reserved.

  6. Complexity multiscale asynchrony measure and behavior for interacting financial dynamics

    Science.gov (United States)

    Yang, Ge; Wang, Jun; Niu, Hongli

    2016-08-01

    A stochastic financial price process is proposed and investigated by the finite-range multitype contact dynamical system, in an attempt to study the nonlinear behaviors of real asset markets. The viruses spreading process in a finite-range multitype system is used to imitate the interacting behaviors of diverse investment attitudes in a financial market, and the empirical research on descriptive statistics and autocorrelation behaviors of return time series is performed for different values of propagation rates. Then the multiscale entropy analysis is adopted to study several different shuffled return series, including the original return series, the corresponding reversal series, the random shuffled series, the volatility shuffled series and the Zipf-type shuffled series. Furthermore, we propose and compare the multiscale cross-sample entropy and its modification algorithm called composite multiscale cross-sample entropy. We apply them to study the asynchrony of pairs of time series under different time scales.

  7. 3D morphological and micromechanical modeling of cementitious materials

    International Nuclear Information System (INIS)

    Escoda, Julie

    2012-01-01

    The goal of this thesis is to develop morphological models of cementitious materials and use these models to study their local and effective response. To this aim, 3D images of cementitious materials (mortar and concrete), obtained by micro-tomography, are studied. First, the mortar image is segmented in order to obtain an image of a real microstructure, to be used for linear elasticity computations. The image of concrete is used, after being processed, to determine various morphological characteristics of the material. A random model of concrete is then developed and validated by means of morphological data. This model is made up of three phases, corresponding to the matrix, aggregates and voids. The aggregates phase is modelled by implantation of Poisson polyhedra without overlap. For this purpose, an algorithm suited to the vector generation of Poisson polyhedra is introduced and validated with morphological measurements. Finally, the effective linear elastic properties of the mortar and other simulated microstructures are estimated with the FFT (Fast-Fourier Transform) method, for various contrasts between the aggregates and matrix' Young moduli. To complete this work, focused on effective properties, an analysis of the local elastic response in the matrix phase is undertaken, in order to determine the spatial arrangement between stress concentration zones in the matrix and the phases of the microstructure (aggregates and voids). Moreover, a statistical fields characterization, in the matrix, is achieved, including the determination of the Representative Volume Element (RVE) size. Furthermore, a comparison between effective and local elastic properties obtained from microstructures containing polyhedra and spheres is carried out. (author)

  8. Multiscale modelling of nanostructures

    International Nuclear Information System (INIS)

    Vvedensky, Dimitri D

    2004-01-01

    Most materials phenomena are manifestations of processes that are operative over a vast range of length and time scales. A complete understanding of the behaviour of materials thereby requires theoretical and computational tools that span the atomic-scale detail of first-principles methods and the more coarse-grained description provided by continuum equations. Recent efforts have focused on combining traditional methodologies-density functional theory, molecular dynamics, Monte Carlo methods and continuum descriptions-within a unified multiscale framework. This review covers the techniques that have been developed to model various aspects of materials behaviour with the ultimate aim of systematically coupling the atomistic to the continuum descriptions. The approaches described typically have been motivated by particular applications but can often be applied in wider contexts. The self-assembly of quantum dot ensembles will be used as a case study for the issues that arise and the methods used for all nanostructures. Although quantum dots can be obtained with all the standard growth methods and for a variety of material systems, their appearance is a quite selective process, involving the competition between equilibrium and kinetic effects, and the interplay between atomistic and long-range interactions. Most theoretical models have addressed particular aspects of the ordering kinetics of quantum dot ensembles, with far fewer attempts at a comprehensive synthesis of this inherently multiscale phenomenon. We conclude with an assessment of the current status of multiscale modelling strategies and highlight the main outstanding issues. (topical review)

  9. Integration of multiscale dendritic spine structure and function data into systems biology models

    Directory of Open Access Journals (Sweden)

    James J Mancuso

    2014-11-01

    Full Text Available Comprising 1011 neurons with 1014 synaptic connections the human brain is the ultimate systems biology puzzle. An increasing body of evidence highlights the observation that changes in brain function, both normal and pathological, consistently correlate with dynamic changes in neuronal anatomy. Anatomical changes occur on a full range of scales from the trafficking of individual proteins, to alterations in synaptic morphology both individually and on a systems level, to reductions in long distance connectivity and brain volume. The major sites of contact for synapsing neurons are dendritic spines, which provide an excellent metric for the number and strength of signaling connections between elements of functional neuronal circuits. A comprehensive model of anatomical changes and their functional consequences would be a holy grail for the field of systems neuroscience but its realization appears far on the horizon. Various imaging technologies have advanced to allow for multi-scale visualization of brain plasticity and pathology, but computational analysis of the massive big data sets involved forms the bottleneck toward the creation of multiscale models of brain structure and function. While a full accounting of techniques and progress toward a comprehensive model of brain anatomy and function is beyond the scope of this or any other single paper, this review serves to highlight the opportunities for analysis of neuronal spine anatomy and function provided by new imaging technologies and the high-throughput application of older technologies while surveying the strengths and weaknesses of currently available computational analytical tools and room for future improvement.

  10. New cementitious system: The case of glass frit

    Science.gov (United States)

    Fares, Galal

    Canada ranks as the world's third largest aluminium producer, and more than 80% of its aluminum industry is concentrated in Quebec. However, the spent pot-liner waste produced by the aluminium smelters accumulates with time into a considerable amount threatening the Canadian environment, especially that of Quebec. A new-engineered material, known as glass fit (GF) has been developed through the chemical treatment of such waste. GF shows potential hydraulic and pozzolanic properties. GF has been studied as a binder itself and as a supplementary cementitious material (SCM). The activation of industrial by-products into clinkerless binders is a novel trend that has attracted the attention of many researchers. The activation of GF into binder to produce paste, mortar and concrete was the first aim of this study. Potential activation of GF using different types and combinations of inorganic activators and temperatures of activation was successfully achieved and high strength concretes were obtained. Moreover, mortars with high compressive strength were obtained with well-formulated activators at ambient temperature. On the other hand, the utilization of industrial by-products as a partial replacement for cement in concrete is a widespread practice. As GF contains a high concentration of sodium in its structure, there is a concern as to the effect of sodium content on the development of alkali-silica reaction (ASR) expansion of concrete. Therefore, this study also aimed to investigate the effect of GF sodium content in the enhancement of ASR expansion and to find new synergistic mixtures that can effectively mitigate ASR expansion in the long term. We observed that ASR expansion decreases with the replacement level of GF. Different synergistic diagrams containing known SCM (silica fume, fly ash, and slag) were achieved from which different effective mixtures can effectively alleviate ASR expansion. In conclusion, the use of GF in the manufacture of concrete has great

  11. Investigation on the Activity Activation and Cementitious Property of Coal Gangue with High Iron and Silica Contents

    Science.gov (United States)

    Wu, Hong; Li, Yu; Teng, Min; Yang, Yu

    2017-11-01

    The activity of coal gangue by thermal activation and composite activation technologies was investigated. The crystal composition, framework structure and morphology change were analyzed by XRD, FT-IR and SEM, respectively. The cementitious property of coal gangue was measured by strength test. The results showed that thermal activation decomposed kaolinite in coal gangue, and formed the metastable structure with a porous state, multiple internal broken bonds and large specific surface areas. Based on thermal activation, the added lime provided the alkaline environment, then this reduced the bond energy of reactant particles and the degree of crystallinity of quartz in coal gangue. The two activation methods could effectively improve the cementitious property of coal gangue based unburned bricks, and that the composite activation technology was superior performance.

  12. A stochastic multiscale framework for modeling flow through random heterogeneous porous media

    International Nuclear Information System (INIS)

    Ganapathysubramanian, B.; Zabaras, N.

    2009-01-01

    Flow through porous media is ubiquitous, occurring from large geological scales down to the microscopic scales. Several critical engineering phenomena like contaminant spread, nuclear waste disposal and oil recovery rely on accurate analysis and prediction of these multiscale phenomena. Such analysis is complicated by inherent uncertainties as well as the limited information available to characterize the system. Any realistic modeling of these transport phenomena has to resolve two key issues: (i) the multi-length scale variations in permeability that these systems exhibit, and (ii) the inherently limited information available to quantify these property variations that necessitates posing these phenomena as stochastic processes. A stochastic variational multiscale formulation is developed to incorporate uncertain multiscale features. A stochastic analogue to a mixed multiscale finite element framework is used to formulate the physical stochastic multiscale process. Recent developments in linear and non-linear model reduction techniques are used to convert the limited information available about the permeability variation into a viable stochastic input model. An adaptive sparse grid collocation strategy is used to efficiently solve the resulting stochastic partial differential equations (SPDEs). The framework is applied to analyze flow through random heterogeneous media when only limited statistics about the permeability variation are given

  13. Computational modelling of fibre-reinforced cementitious composites : An analysis of discrete and mesh-independent techniques

    NARCIS (Netherlands)

    Radtke, F.K.F.

    2012-01-01

    Failure patterns and mechanical behaviour of high performance fibre-reinforced cementitious composites depend to a large extent on the distribution of fibres within a specimen. A discrete treatment of fibres enables us to study the influence of various fibre distributions on the mechanical

  14. Heavy ion beam measurement of the hydration of cementitious materials

    International Nuclear Information System (INIS)

    Livingston, R.A.; Schweitzer, J.S.; Rolfs, C.; Becker, H.-W.; Kubsky, S.; Spillane, T.; Zickefoose, J.; Castellote, M.; Viedma, P.G. de; Cheung, J.

    2010-01-01

    The setting and development of strength of Portland cement concrete depends upon the reaction of water with various phases in the Portland cement. Nuclear resonance reaction analysis (NRRA) involving the 1 H( 15 N,α,γ) 12 C reaction has been applied to measure the hydrogen depth profile in the few 100 nm thick surface layer that controls the early stage of the reaction. Specific topics that have been investigated include the reactivity of individual cementitious phases and the effects of accelerators and retarders.

  15. Shear crack formation and propagation in reinforced Engineered Cementitious Composites

    DEFF Research Database (Denmark)

    Paegle, Ieva; Fischer, Gregor

    2011-01-01

    capacity of beams loaded primarily in shear. The experimental program consists of ECC with short randomly distributed polyvinyl alcohol (PVA) fiber beams with different stirrup arrangements and conventional reinforced concrete (R/C) counterparts for comparison. The shear crack formation mechanism of ECC......This paper describes an experimental investigation of the shear behaviour of beams consisting of steel reinforced Engineered Cementitious Composites (R/ECC). Based on the strain hardening and multiple cracking behaviour of ECC, this study investigates the extent to which ECC influences the shear...

  16. Micro-structural characterization of the hydration products of bauxite-calcination-method red mud-coal gangue based cementitious materials

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaoming [State Key Laboratory of Advanced Metallurgy, School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Zhang, Na [Green Construction Materials and Circulation Economy Center, Architectural Design and Research Institute of Tsinghua University Co., Ltd., Beijing 100084 (China); Yao, Yuan, E-mail: yuanyaocas@163.com [School of Engineering and Computer Science, University of the Pacific, Stockton, CA 95211 (United States); Sun, Henghu; Feng, Huan [School of Engineering and Computer Science, University of the Pacific, Stockton, CA 95211 (United States)

    2013-11-15

    Highlights: • Al{sup IV} and Al{sup VI} both exist in the hydration products. • Increase of Ca/Si ratio promotes the conversion from [AlO{sub 4}] to [AlO{sub 6}]. • Polymerization degree of [SiO{sub 4}] in the hydration products declines. -- Abstract: In this research, the micro-structural characterization of the hydration products of red mud-coal gangue based cementitious materials has been investigated through SEM-EDS, {sup 27}Al MAS NMR and {sup 29}Si MAS NMR techniques, in which the used red mud was derived from the bauxite calcination method. The results show that the red mud-coal gangue based cementitious materials mainly form fibrous C-A-S-H gel, needle-shaped/rod-like AFt in the early hydration period. With increasing of the hydration period, densification of the pastes were promoted resulting in the development of strength. EDS analysis shows that with the Ca/Si of red mud-coal gangue based cementitious materials increases, the average Ca/Si and Ca/(Si + Al) atomic ratio of C-A-S-H gel increases, while the average Al/Si atomic ratio of C-A-S-H gel decreases. MAS NMR analysis reveals that Al in the hydration products of red mud-coal gangue based cementitious materials exists in the forms of Al{sup IV} and Al{sup VI}, but mainly in the form of Al{sup VI}. Increasing the Ca/Si ratio of raw material promotes the conversion of [AlO{sub 4}] to [AlO{sub 6}] and inhibits the combination between [AlO{sub 4}] and [SiO{sub 4}] to form C-A-S-H gel. Meanwhile, the polymerization degree of [SiO{sub 4}] in the hydration products declines.

  17. Use of Cementitious Materials for SRS Reactor Facility In-Situ Decommissioning

    International Nuclear Information System (INIS)

    Langton, C.A.; Stefanko, D.B.; Serrato, M.G.; Blankenship, J.K.; Griffin, W.G.; Long, J.T.

    2013-01-01

    The United States Department of Energy (US DOE) concept for facility in-situ decommissioning (ISD) is to physically stabilize and isolate intact, structurally sound facilities that are no longer needed for their original purpose of producing (reactor facilities), processing (isotope separation facilities) or storing radioactive materials. The Savannah River Site 105-P and 105-R Reactor Facility ISD project requires approximately 250000 cubic yards of cementitious materials to fill the below-grade structure. The fills are designed to prevent subsidence, reduce water infiltration, and isolate contaminated materials. This work is being performed as a Comprehensive Environmental Response, Compensations and Liability Act (CERCLA) action and is part of the overall soil and groundwater completion projects for P- and R-Areas. Funding is being provided under the American Recovery and Reinvestment Act (ARRA). Cementitious materials were designed for the following applications: (A) Below-grade massive voids / rooms: Portland cement-based structural flowable fills for: (A.1) Bulk filling; (A.2) Restricted placement and (A.3) Underwater placement. (B) Special below-grade applications for reduced load bearing capacity needs: (B.1) Cellular portland cement lightweight fill. (C) Reactor vessel fills that are compatible with reactive metal (aluminum metal) components in the reactor vessels (C.1) Blended calcium aluminate - calcium sulfate based flowable fill; (C.2) Magnesium potassium phosphate flowable fill. (D) Caps to prevent water infiltration and intrusion into areas with the highest levels of radionuclides: (D.1) Portland cement based shrinkage compensating concrete. A system engineering approach was used to identify functions and requirements of the fill and capping materials. Laboratory testing was performed to identify candidate formulations and develop final design mixes. Scale-up testing was performed to verify material production and placement as well as fresh and cured

  18. State-of-the-Art Report on Multi-scale Modelling of Nuclear Fuels

    International Nuclear Information System (INIS)

    Bartel, T.J.; Dingreville, R.; Littlewood, D.; Tikare, V.; Bertolus, M.; Blanc, V.; Bouineau, V.; Carlot, G.; Desgranges, C.; Dorado, B.; Dumas, J.C.; Freyss, M.; Garcia, P.; Gatt, J.M.; Gueneau, C.; Julien, J.; Maillard, S.; Martin, G.; Masson, R.; Michel, B.; Piron, J.P.; Sabathier, C.; Skorek, R.; Toffolon, C.; Valot, C.; Van Brutzel, L.; Besmann, Theodore M.; Chernatynskiy, A.; Clarno, K.; Gorti, S.B.; Radhakrishnan, B.; Devanathan, R.; Dumont, M.; Maugis, P.; El-Azab, A.; Iglesias, F.C.; Lewis, B.J.; Krack, M.; Yun, Y.; Kurata, M.; Kurosaki, K.; Largenton, R.; Lebensohn, R.A.; Malerba, L.; Oh, J.Y.; Phillpot, S.R.; Tulenko, J. S.; Rachid, J.; Stan, M.; Sundman, B.; Tonks, M.R.; Williamson, R.; Van Uffelen, P.; Welland, M.J.; Valot, Carole; Stan, Marius; Massara, Simone; Tarsi, Reka

    2015-10-01

    The Nuclear Science Committee (NSC) of the Nuclear Energy Agency (NEA) has undertaken an ambitious programme to document state-of-the-art of modelling for nuclear fuels and structural materials. The project is being performed under the Working Party on Multi-Scale Modelling of Fuels and Structural Material for Nuclear Systems (WPMM), which has been established to assess the scientific and engineering aspects of fuels and structural materials, describing multi-scale models and simulations as validated predictive tools for the design of nuclear systems, fuel fabrication and performance. The WPMM's objective is to promote the exchange of information on models and simulations of nuclear materials, theoretical and computational methods, experimental validation and related topics. It also provides member countries with up-to-date information, shared data, models, and expertise. The goal is also to assess needs for improvement and address them by initiating joint efforts. The WPMM reviews and evaluates multi-scale modelling and simulation techniques currently employed in the selection of materials used in nuclear systems. It serves to provide advice to the nuclear community on the developments needed to meet the requirements of modelling for the design of different nuclear systems. The original WPMM mandate had three components (Figure 1), with the first component currently completed, delivering a report on the state-of-the-art of modelling of structural materials. The work on modelling was performed by three expert groups, one each on Multi-Scale Modelling Methods (M3), Multi-Scale Modelling of Fuels (M2F) and Structural Materials Modelling (SMM). WPMM is now composed of three expert groups and two task forces providing contributions on multi-scale methods, modelling of fuels and modelling of structural materials. This structure will be retained, with the addition of task forces as new topics are developed. The mandate of the Expert Group on Multi-Scale Modelling of

  19. Multi-scale simulation of droplet-droplet interactions and coalescence

    CSIR Research Space (South Africa)

    Musehane, Ndivhuwo M

    2016-10-01

    Full Text Available Conference on Computational and Applied Mechanics Potchefstroom 3–5 October 2016 Multi-scale simulation of droplet-droplet interactions and coalescence 1,2Ndivhuwo M. Musehane?, 1Oliver F. Oxtoby and 2Daya B. Reddy 1. Aeronautic Systems, Council... topology changes that result when droplets interact. This work endeavours to eliminate the need to use empirical correlations based on phenomenological models by developing a multi-scale model that predicts the outcome of a collision between droplets from...

  20. A unified double-loop multi-scale control strategy for NMP integrating-unstable systems

    International Nuclear Information System (INIS)

    Seer, Qiu Han; Nandong, Jobrun

    2016-01-01

    This paper presents a new control strategy which unifies the direct and indirect multi-scale control schemes via a double-loop control structure. This unified control strategy is proposed for controlling a class of highly nonminimum-phase processes having both integrating and unstable modes. This type of systems is often encountered in fed-batch fermentation processes which are very difficult to stabilize via most of the existing well-established control strategies. A systematic design procedure is provided where its applicability is demonstrated via a numerical example. (paper)

  1. Multiscale geometric modeling of macromolecules II: Lagrangian representation

    Science.gov (United States)

    Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

    2013-01-01

    Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR and cryo-EM, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger’s functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, while our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599

  2. REVIEW OF THE GOVERNING EQUATIONS, COMPUTATIONAL ALGORITHMS, AND OTHER COMPONENTS OF THE MODELS-3 COMMUNITY MULTISCALE AIR QUALITY (CMAQ) MODELING SYSTEM

    Science.gov (United States)

    This article describes the governing equations, computational algorithms, and other components entering into the Community Multiscale Air Quality (CMAQ) modeling system. This system has been designed to approach air quality as a whole by including state-of-the-science capabiliti...

  3. Using mixture experiments to develop cementitious waste forms

    International Nuclear Information System (INIS)

    Spence, R.D.; Anderson, C.M.; Piepel, G.F.

    1993-01-01

    Mixture experiments are presented as a means to develop cementitious waste forms. The steps of a mixture experiment are (1) identifying the waste form ingredients; (2) determining the compositional constraints of these ingredients; (3) determining the extreme vertices, edge midpoints, and face centroids of the constrained multidimensional volume (these points along with some interior points represent the set of possible compositions for testing); (4) picking a subset of these points for the experimental design; (5) measuring the properties of the selected subset; and (6) generating the response surface models. The models provide a means for predicting the properties within the constrained region. This article presents an example of this process for one property: unconfined compressive strength

  4. Multivariate refined composite multiscale entropy analysis

    International Nuclear Information System (INIS)

    Humeau-Heurtier, Anne

    2016-01-01

    Multiscale entropy (MSE) has become a prevailing method to quantify signals complexity. MSE relies on sample entropy. However, MSE may yield imprecise complexity estimation at large scales, because sample entropy does not give precise estimation of entropy when short signals are processed. A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. Nevertheless, RCMSE is for univariate signals only. The simultaneous analysis of multi-channel (multivariate) data often over-performs studies based on univariate signals. We therefore introduce an extension of RCMSE to multivariate data. Applications of multivariate RCMSE to simulated processes reveal its better performances over the standard multivariate MSE. - Highlights: • Multiscale entropy quantifies data complexity but may be inaccurate at large scale. • A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. • Nevertheless, RCMSE is adapted to univariate time series only. • We herein introduce an extension of RCMSE to multivariate data. • It shows better performances than the standard multivariate multiscale entropy.

  5. Multifunctional multiscale composites: Processing, modeling and characterization

    Science.gov (United States)

    Qiu, Jingjing

    Carbon nanotubes (CNTs) demonstrate extraordinary properties and show great promise in enhancing out-of-plane properties of traditional polymer/fiber composites and enabling functionality. However, current manufacturing challenges hinder the realization of their potential. In the dissertation research, both experimental and computational efforts have been conducted to investigate effective manufacturing techniques of CNT integrated multiscale composites. The fabricated composites demonstrated significant improvements in physical properties, such as tensile strength, tensile modulus, inter-laminar shear strength, thermal dimension stability and electrical conductivity. Such multiscale composites were truly multifunctional with the addition of CNTs. Furthermore, a novel hierarchical multiscale modeling method was developed in this research. Molecular dynamic (MD) simulation offered reasonable explanation of CNTs dispersion and their motion in polymer solution. Bi-mode finite-extensible-nonlinear-elastic (FENE) dumbbell simulation was used to analyze the influence of CNT length distribution on the stress tensor and shear-rate-dependent viscosity. Based on the simulated viscosity profile and empirical equations from experiments, a macroscale flow simulation model on the finite element method (FEM) method was developed and validated to predict resin flow behavior in the processing of CNT-enhanced multiscale composites. The proposed multiscale modeling method provided a comprehensive understanding of micro/nano flow in both atomistic details and mesoscale. The simulation model can be used to optimize process design and control of the mold-filling process in multiscale composite manufacturing. This research provided systematic investigations into the CNT-based multiscale composites. The results from this study may be used to leverage the benefits of CNTs and open up new application opportunities for high-performance multifunctional multiscale composites. Keywords. Carbon

  6. Multiscale approaches to high efficiency photovoltaics

    Directory of Open Access Journals (Sweden)

    Connolly James Patrick

    2016-01-01

    Full Text Available While renewable energies are achieving parity around the globe, efforts to reach higher solar cell efficiencies becomes ever more difficult as they approach the limiting efficiency. The so-called third generation concepts attempt to break this limit through a combination of novel physical processes and new materials and concepts in organic and inorganic systems. Some examples of semi-empirical modelling in the field are reviewed, in particular for multispectral solar cells on silicon (French ANR project MultiSolSi. Their achievements are outlined, and the limits of these approaches shown. This introduces the main topic of this contribution, which is the use of multiscale experimental and theoretical techniques to go beyond the semi-empirical understanding of these systems. This approach has already led to great advances at modelling which have led to modelling software, which is widely known. Yet, a survey of the topic reveals a fragmentation of efforts across disciplines, firstly, such as organic and inorganic fields, but also between the high efficiency concepts such as hot carrier cells and intermediate band concepts. We show how this obstacle to the resolution of practical research obstacles may be lifted by inter-disciplinary cooperation across length scales, and across experimental and theoretical fields, and finally across materials systems. We present a European COST Action “MultiscaleSolar” kicking off in early 2015, which brings together experimental and theoretical partners in order to develop multiscale research in organic and inorganic materials. The goal of this defragmentation and interdisciplinary collaboration is to develop understanding across length scales, which will enable the full potential of third generation concepts to be evaluated in practise, for societal and industrial applications.

  7. Multiscale empirical interpolation for solving nonlinear PDEs

    KAUST Repository

    Calo, Victor M.; Efendiev, Yalchin R.; Galvis, Juan; Ghommem, Mehdi

    2014-01-01

    residuals and Jacobians on the fine grid. We use empirical interpolation concepts to evaluate these residuals and Jacobians of the multiscale system with a computational cost which is proportional to the size of the coarse-scale problem rather than the fully

  8. Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Thomas [California Inst. of Technology (CalTech), Pasadena, CA (United States); Efendiev, Yalchin [Stanford Univ., CA (United States); Tchelepi, Hamdi [Texas A & M Univ., College Station, TX (United States); Durlofsky, Louis [Stanford Univ., CA (United States)

    2016-05-24

    Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scale basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics.

  9. Selection of nutrient used in biogenic healing agent for cementitious materials

    Science.gov (United States)

    Tziviloglou, Eirini; Wiktor, Virginie; Jonkers, Henk M.; Schlangen, Erik

    2017-06-01

    Biogenic self-healing cementitious materials target on the closure of micro-cracks with precipitated inorganic minerals originating from bacterial metabolic activity. Dormant bacterial spores and organic mineral compounds often constitute a biogenic healing agent. The current paper focuses on the investigation of the most appropriate organic carbon source to be used as component of a biogenic healing agent. It is of great importance to use an appropriate organic source, since it will firstly ensure an optimal bacterial performance in terms of metabolic activity, while it should secondly affect the least the properties of the cementitious matrix. The selection is made among three different organic compounds, namely calcium lactate, calcium acetate and sodium gluconate. The methodology that was used for the research was based on continuous and non-continuous oxygen consumption measurements of washed bacterial cultures and on compressive strength tests on mortar cubes. The oxygen consumption investigation revealed a preference for calcium lactate and acetate, but an indifferent behaviour for sodium gluconate. The compressive strength on mortar cubes with different amounts of either calcium lactate or acetate (up to 2.24% per cement weight) was not or it was positively affected when the compounds were dissolved in the mixing water. In fact, for calcium lactate the increase in compressive strength reached 8%, while for calcium acetate the maximum strength increase was 13.4%.

  10. Integrated multi-scale modelling and simulation of nuclear fuels

    International Nuclear Information System (INIS)

    Valot, C.; Bertolus, M.; Masson, R.; Malerba, L.; Rachid, J.; Besmann, T.; Phillpot, S.; Stan, M.

    2015-01-01

    This chapter aims at discussing the objectives, implementation and integration of multi-scale modelling approaches applied to nuclear fuel materials. We will first show why the multi-scale modelling approach is required, due to the nature of the materials and by the phenomena involved under irradiation. We will then present the multiple facets of multi-scale modelling approach, while giving some recommendations with regard to its application. We will also show that multi-scale modelling must be coupled with appropriate multi-scale experiments and characterisation. Finally, we will demonstrate how multi-scale modelling can contribute to solving technology issues. (authors)

  11. Recent IAEA activities to support utilisation of cementitious materials in radioactive waste management

    International Nuclear Information System (INIS)

    Ojowan, M.I.; Samanta, S.K.

    2015-01-01

    The International Atomic Energy Agency promotes a safe and effective management of radioactive waste and has suitable programmes in place to serve the needs of Member States in this area. In support of these programmes the Waste Technology Section fosters technology transfer, promotes information exchange and cooperative research, as well as builds capacity in Member States to manage radioactive wastes, resulting both from the nuclear fuel cycle and nuclear applications. Technical assistance in pre disposal area covers all of these activities and is delivered through established Agency mechanisms including publication of technical documents. While the Agency does not conduct any in-house research activities, its Coordinated Research Projects (CRPs) foster research in Member States. There are 2 CRPs concerning cementitious materials: a CRP on cements and an on-going CRP on irradiated graphite waste. The CRP on cements has resulted in the recent IAEA publication TECDOC-1701. An important activity concerned with characterisation of cementitious waste forms is the LABONET network of laboratory-based centres of expertise involved in the characterization of low and intermediate level radioactive wastes. The Waste Technology Section is preparing a series of comprehensive state of the art technical handbooks

  12. Mechanical Properties and Shear Strengthening Capacity of High Volume Fly Ash-Cementitious Composite

    Science.gov (United States)

    Joseph, Aswin K.; Anand, K. B.

    2018-02-01

    This paper discusses development of Poly Vinyl Alcohol (PVA) fibre reinforced cementitious composites taking into account environmental sustainability. Composites with fly ash to cement ratios from 0 to 3 are investigated in this study. The mechanical properties of HVFA-cement composite are discussed in this paper at PVA fiber volume fraction maintained at 1% of total volume of composite. The optimum replacement of cement with fly ash was found to be 75%, i.e. fly ash to cement ratio (FA/C) of 3. The increase in fiber content from 1% to 2% showed better mechanical performance. A strain capacity of 2.38% was obtained for FA/C ratio of 3 with 2% volume fraction of fiber. With the objective of evaluating the performance of cementitious composites as a strengthening material in reinforced concrete beams, the beams deficient in shear capacity were strengthened with optimal mix having 2% volume fraction of fiber as the strengthening material and tested under four-point load. The reinforced concrete beams designed as shear deficient were loaded to failure and retrofitted with the composite in order to assess the efficiency as a repair material under shear.

  13. Multivariate multiscale entropy of financial markets

    Science.gov (United States)

    Lu, Yunfan; Wang, Jun

    2017-11-01

    In current process of quantifying the dynamical properties of the complex phenomena in financial market system, the multivariate financial time series are widely concerned. In this work, considering the shortcomings and limitations of univariate multiscale entropy in analyzing the multivariate time series, the multivariate multiscale sample entropy (MMSE), which can evaluate the complexity in multiple data channels over different timescales, is applied to quantify the complexity of financial markets. Its effectiveness and advantages have been detected with numerical simulations with two well-known synthetic noise signals. For the first time, the complexity of four generated trivariate return series for each stock trading hour in China stock markets is quantified thanks to the interdisciplinary application of this method. We find that the complexity of trivariate return series in each hour show a significant decreasing trend with the stock trading time progressing. Further, the shuffled multivariate return series and the absolute multivariate return series are also analyzed. As another new attempt, quantifying the complexity of global stock markets (Asia, Europe and America) is carried out by analyzing the multivariate returns from them. Finally we utilize the multivariate multiscale entropy to assess the relative complexity of normalized multivariate return volatility series with different degrees.

  14. Magnetospheric Multiscale Instrument Suite Operations and Data System

    Science.gov (United States)

    Baker, D. N.; Riesberg, L.; Pankratz, C. K.; Panneton, R. S.; Giles, B. L.; Wilder, F. D.; Ergun, R. E.

    2016-03-01

    The four Magnetospheric Multiscale (MMS) spacecraft will collect a combined volume of ˜100 gigabits per day of particle and field data. On average, only 4 gigabits of that volume can be transmitted to the ground. To maximize the scientific value of each transmitted data segment, MMS has developed the Science Operations Center (SOC) to manage science operations, instrument operations, and selection, downlink, distribution, and archiving of MMS science data sets. The SOC is managed by the Laboratory for Atmospheric and Space Physics (LASP) in Boulder, Colorado and serves as the primary point of contact for community participation in the mission. MMS instrument teams conduct their operations through the SOC, and utilize the SOC's Science Data Center (SDC) for data management and distribution. The SOC provides a single mission data archive for the housekeeping and science data, calibration data, ephemerides, attitude and other ancillary data needed to support the scientific use and interpretation. All levels of data products will reside at and be publicly disseminated from the SDC. Documentation and metadata describing data products, algorithms, instrument calibrations, validation, and data quality will be provided. Arguably, the most important innovation developed by the SOC is the MMS burst data management and selection system. With nested automation and "Scientist-in-the-Loop" (SITL) processes, these systems are designed to maximize the value of the burst data by prioritizing the data segments selected for transmission to the ground. This paper describes the MMS science operations approach, processes and data systems, including the burst system and the SITL concept.

  15. Multiscale modelling for tokamak pedestals

    Science.gov (United States)

    Abel, I. G.

    2018-04-01

    Pedestal modelling is crucial to predict the performance of future fusion devices. Current modelling efforts suffer either from a lack of kinetic physics, or an excess of computational complexity. To ameliorate these problems, we take a first-principles multiscale approach to the pedestal. We will present three separate sets of equations, covering the dynamics of edge localised modes (ELMs), the inter-ELM pedestal and pedestal turbulence, respectively. Precisely how these equations should be coupled to each other is covered in detail. This framework is completely self-consistent; it is derived from first principles by means of an asymptotic expansion of the fundamental Vlasov-Landau-Maxwell system in appropriate small parameters. The derivation exploits the narrowness of the pedestal region, the smallness of the thermal gyroradius and the low plasma (the ratio of thermal to magnetic pressures) typical of current pedestal operation to achieve its simplifications. The relationship between this framework and gyrokinetics is analysed, and possibilities to directly match our systems of equations onto multiscale gyrokinetics are explored. A detailed comparison between our model and other models in the literature is performed. Finally, the potential for matching this framework onto an open-field-line region is briefly discussed.

  16. Residual-driven online generalized multiscale finite element methods

    KAUST Repository

    Chung, Eric T.

    2015-09-08

    The construction of local reduced-order models via multiscale basis functions has been an area of active research. In this paper, we propose online multiscale basis functions which are constructed using the offline space and the current residual. Online multiscale basis functions are constructed adaptively in some selected regions based on our error indicators. We derive an error estimator which shows that one needs to have an offline space with certain properties to guarantee that additional online multiscale basis function will decrease the error. This error decrease is independent of physical parameters, such as the contrast and multiple scales in the problem. The offline spaces are constructed using Generalized Multiscale Finite Element Methods (GMsFEM). We show that if one chooses a sufficient number of offline basis functions, one can guarantee that additional online multiscale basis functions will reduce the error independent of contrast. We note that the construction of online basis functions is motivated by the fact that the offline space construction does not take into account distant effects. Using the residual information, we can incorporate the distant information provided the offline approximation satisfies certain properties. In the paper, theoretical and numerical results are presented. Our numerical results show that if the offline space is sufficiently large (in terms of the dimension) such that the coarse space contains all multiscale spectral basis functions that correspond to small eigenvalues, then the error reduction by adding online multiscale basis function is independent of the contrast. We discuss various ways computing online multiscale basis functions which include a use of small dimensional offline spaces.

  17. Review on supplymentary cementitious materials used in inorganic polymer concrete

    Science.gov (United States)

    Srinivasreddy, K.; Srinivasan, K.

    2017-11-01

    This paper presents a review on various supplementary cementitious materials generated from industries are used in concrete, which one is considered a waste material. These materials are rich in aluminosilicates and are activated by sodium/potassium based alkaline solution to form geopolymer concrete. When these geopolymer concrete is used in civil engineering applications has showed better or similar mechanical properties and durability properties than ordinary Portland cement concrete. This paper also given the overview on sodium hydroxide (NaOH) & sodium silicate solution (Na2SiO3) ratios, curing adopted for different geopolymer concretes and the effect of adding fibres in geopolymer concretes.

  18. Overview of recent work on self-healing in cementitious materials

    Directory of Open Access Journals (Sweden)

    Lv, Z.

    2014-12-01

    Full Text Available Cracks, especially microcracks, in concrete are of paramount importance to the durability and the service life of cementitious composite. However, the self-healing technology, including autogenous healing and autonomous healing, is expected to be one of effective tools to overcome this boring problem. In this paper, we focus on the autogenous healing of concrete material and a few of recent works of autonomous healing are also mentioned. The durability and the mechanical properties improved by the self-healing phenomenon are reviewed from experimental investigation and practical experience. Several aspects of researches, such as autogenous healing capability of an innovative concrete incorporated geo-materials, self-healing of engineered cementitious composite and fire-damaged concrete, effect of mineral and admixtures on mechanism and efficiency of self-healing concrete are summarized to evaluate the presented progresses in the past several years and to outline the perspective for the further developments. Moreover, a special emphasis is given on the analytical models and computer simulation method of the researches of self-healing in cementitious materials.Las fisuras, y sobre todo las microfisuras, tienen una gran repercusión en la durabilidad y en la vida útil de los materiales cementantes. Ante este problema, la tecnología de la autorreparación, tanto autógena como autónoma, se presenta como una solución eficaz. El artículo se centra en la reparación autógena del hormigón, así como en algunos trabajos recientes sobre la reparación autónoma. Se describen las mejoras de las propiedades de durabilidad y de resistencia que proporciona la técnica del hormigón autorreparable, tanto desde el punto de vista de la investigación experimental como del de la experiencia práctica. A fin de evaluar los avances logrados en los últimos años y de trazar las grandes líneas de desarrollo futuro, se resumen varios de los aspectos

  19. Multiscale modeling of the dynamics of multicellular systems

    Science.gov (United States)

    Kosztin, Ioan

    2011-03-01

    Describing the biomechanical properties of cellular systems, regarded as complex highly viscoelastic materials, is a difficult problem of great conceptual and practical value. Here we present a novel approach, referred to as the Cellular Particle Dynamics (CPD) method, for: (i) quantitatively relating biomechanical properties at the cell level to those at the multicellular and tissue level, and (ii) describing and predicting the time evolution of multicellular systems that undergo biomechanical relaxations. In CPD cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through integration of their equations of motion. Cell and multicellular level biomechanical properties (e.g., viscosity, surface tension and shear modulus) are determined through the combined use of experiments and theory of continuum viscoelastic media. The same biomechanical properties are also ``measured'' computationally by employing the CPD method, the results being expressed in terms of CPD parameters. Once these parameters have been calibrated experimentally, the formalism provides a systematic framework to predict the time evolution of complex multicellular systems during shape-changing biomechanical transformations. By design, the CPD method is rather flexible and most suitable for multiscale modeling of multicellular system. The spatial level of detail of the system can be easily tuned by changing the number of CPs in a cell. Thus, CPD can be used equally well to describe both cell level processes (e.g., the adhesion of two cells) and tissue level processes (e.g., the formation of 3D constructs of millions of cells through bioprinting). Work supported by NSF [FIBR-0526854 and PHY-0957914

  20. Progression to multi-scale models and the application to food system intervention strategies.

    Science.gov (United States)

    Gröhn, Yrjö T

    2015-02-01

    The aim of this article is to discuss how the systems science approach can be used to optimize intervention strategies in food animal systems. It advocates the idea that the challenges of maintaining a safe food supply are best addressed by integrating modeling and mathematics with biological studies critical to formulation of public policy to address these challenges. Much information on the biology and epidemiology of food animal systems has been characterized through single-discipline methods, but until now this information has not been thoroughly utilized in a fully integrated manner. The examples are drawn from our current research. The first, explained in depth, uses clinical mastitis to introduce the concept of dynamic programming to optimize management decisions in dairy cows (also introducing the curse of dimensionality problem). In the second example, a compartmental epidemic model for Johne's disease with different intervention strategies is optimized. The goal of the optimization strategy depends on whether there is a relationship between Johne's and Crohn's disease. If so, optimization is based on eradication of infection; if not, it is based on the cow's performance only (i.e., economic optimization, similar to the mastitis example). The third example focuses on food safety to introduce risk assessment using Listeria monocytogenes and Salmonella Typhimurium. The last example, practical interventions to effectively manage antibiotic resistance in beef and dairy cattle systems, introduces meta-population modeling that accounts for bacterial growth not only in the host (cow), but also in the cow's feed, drinking water and the housing environment. Each example stresses the need to progress toward multi-scale modeling. The article ends with examples of multi-scale systems, from food supply systems to Johne's disease. Reducing the consequences of foodborne illnesses (i.e., minimizing disease occurrence and associated costs) can only occur through an

  1. A mathematical framework for multiscale science and engineering: the variational multiscale method and interscale transfer operators

    International Nuclear Information System (INIS)

    Shadid, John Nicolas; Lehoucq, Richard B.; Christon, Mark Allen; Slepoy, Alexander; Bochev, Pavel Blagoveston; Collis, Samuel Scott; Wagner, Gregory John

    2004-01-01

    Existing approaches in multiscale science and engineering have evolved from a range of ideas and solutions that are reflective of their original problem domains. As a result, research in multiscale science has followed widely diverse and disjoint paths, which presents a barrier to cross pollination of ideas and application of methods outside their application domains. The status of the research environment calls for an abstract mathematical framework that can provide a common language to formulate and analyze multiscale problems across a range of scientific and engineering disciplines. In such a framework, critical common issues arising in multiscale problems can be identified, explored and characterized in an abstract setting. This type of overarching approach would allow categorization and clarification of existing models and approximations in a landscape of seemingly disjoint, mutually exclusive and ad hoc methods. More importantly, such an approach can provide context for both the development of new techniques and their critical examination. As with any new mathematical framework, it is necessary to demonstrate its viability on problems of practical importance. At Sandia, lab-centric, prototype application problems in fluid mechanics, reacting flows, magnetohydrodynamics (MHD), shock hydrodynamics and materials science span an important subset of DOE Office of Science applications and form an ideal proving ground for new approaches in multiscale science.

  2. Self-healing of Micro-cracks in Engineered Cementitious Composites

    Directory of Open Access Journals (Sweden)

    Suryanto B.

    2015-12-01

    Full Text Available The performance of an Engineered Cementitious Composite (ECC to self-heal micro-cracks under a controlled laboratory environment is presented. Ten dog-bone shaped samples were prepared; five of them were preloaded to known strains and then left to heal in water in a temperature-controlled laboratory. Ultrasonic pulse velocity (UPV measurements were undertaken to monitor the crack-healing process. It was found that all samples exhibited recoveries in UPV and were able to recover to between 96.6% and 98% of their pre-test UPV values over a period of four weeks. An accelerated rate of healing was observed in the initial two-day period immediately following the preloading test.

  3. Numerical Analysis of Multiscale Computations

    CERN Document Server

    Engquist, Björn; Tsai, Yen-Hsi R

    2012-01-01

    This book is a snapshot of current research in multiscale modeling, computations and applications. It covers fundamental mathematical theory, numerical algorithms as well as practical computational advice for analysing single and multiphysics models containing a variety of scales in time and space. Complex fluids, porous media flow and oscillatory dynamical systems are treated in some extra depth, as well as tools like analytical and numerical homogenization, and fast multipole method.

  4. A high-order multiscale finite-element method for time-domain acoustic-wave modeling

    Science.gov (United States)

    Gao, Kai; Fu, Shubin; Chung, Eric T.

    2018-05-01

    Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructs high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss-Lobatto-Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.

  5. Cementitious composite materials with improved self-healing potential

    Directory of Open Access Journals (Sweden)

    Cornelia BAERA

    2015-12-01

    Full Text Available Cement-based composites have proved, over the time, certain abilities of self-healing the damages (cracks and especially microcracs that occur within their structure. Depending on the level of damage and of the composite type in which this occurs, the self - healing process (SH can range from crack closing or crack sealing to the stage of partial or even complete recovery of material physical - mechanical properties. The aim of this paper is to present the general concept of Engineered Cementitious Composites (ECCs with their unique properties including their self-healing (SH capacity, as an innovative direction for a global sustainable infrastructure. The experimental steps initiated for the development in Romania of this unique category of materials, using materials available on the local market, are also presented.

  6. Demonstration Of LEACHXS(trademark)/Orchestra Capabilities By Simulating Constituent Release From A Cementitious Waste Form In A Reinforced Concrete Vault

    International Nuclear Information System (INIS)

    Langton, C.; Meeussen, J.; Sloot, H.

    2010-01-01

    The objective of the work described in this report is to demonstrate the capabilities of the current version of LeachXS(trademark)/ORCHESTRA for simulating chemical behavior and constituent release processes in a range of applications that are relevant to the CBP. This report illustrates the use of LeachXS(trademark)/ORCHESTRA for the following applications: (1) Comparing model and experimental results for leaching tests for a range of cementitious materials including cement mortars, grout, stabilized waste, and concrete. The leaching test data includes liquid-solid partitioning as a function of pH and release rates based on laboratory column, monolith, and field testing. (2) Modeling chemical speciation of constituents in cementitious materials, including liquid-solid partitioning and release rates. (3) Evaluating uncertainty in model predictions based on uncertainty in underlying composition, thermodynamic, and transport characteristics. (4) Generating predominance diagrams to evaluate predicted chemical changes as a result of material aging using the example of exposure to atmospheric conditions. (5) Modeling coupled geochemical speciation and diffusion in a three layer system consisting of a layer of Saltstone, a concrete barrier, and a layer of soil in contact with air. The simulations show developing concentration fronts over a time period of 1000 years. (6) Modeling sulfate attack and cracking due to ettringite formation. A detailed example for this case is provided in a separate article by the authors (Sarkar et al. 2010). Finally, based on the computed results, the sensitive input parameters for this type of modeling are identified and discussed. The chemical speciation behavior of substances is calculated for a batch system and also in combination with transport and within a three layer system. This includes release from a barrier to the surrounding soil as a function of time. As input for the simulations, the physical and chemical properties of the

  7. Concrete mixture characterization. Cementitious barriers partnership

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Protiere, Yannick [SIMCO Technologies, Inc., Quebec (Canada)

    2014-12-01

    This report summarizes the characterization study performed on two concrete mixtures used for radioactive waste storage. Both mixtures were prepared with approximately 425 kg of binder. The testing protocol mostly focused on determining the transport properties of the mixtures; volume of permeable voids (porosity), diffusion coefficients, and water permeability were evaluated. Tests were performed after different curing durations. In order to obtain data on the statistical distribution of transport properties, the measurements after 2 years of curing were performed on 10+ samples. Overall, both mixtures exhibited very low tortuosities and permeabilities, a direct consequence of their low water-to-binder ratio and the use of supplementary cementitious materials. The data generated on 2-year old samples showed that porosity, tortuosity and permeability follow a normal distribution. Chloride ponding tests were also performed on test samples. They showed limited chloride ingress, in line with measured transport properties. These test results also showed that both materials react differently with chloride, a consequence of the differences in the binder chemical compositions.

  8. Multiscale Information Transfer in Functional Corticomuscular Coupling Estimation Following Stroke: A Pilot Study

    Directory of Open Access Journals (Sweden)

    Xiaoling Chen

    2018-05-01

    Full Text Available Recently, functional corticomuscular coupling (FCMC between the cortex and the contralateral muscle has been used to evaluate motor function after stroke. As we know, the motor-control system is a closed-loop system that is regulated by complex self-regulating and interactive mechanisms which operate in multiple spatial and temporal scales. Multiscale analysis can represent the inherent complexity. However, previous studies in FCMC for stroke patients mainly focused on the coupling strength in single-time scale, without considering the changes of the inherently directional and multiscale properties in sensorimotor systems. In this paper, a multiscale-causal model, named multiscale transfer entropy, was used to quantify the functional connection between electroencephalogram over the scalp and electromyogram from the flexor digitorum superficialis (FDS recorded simultaneously during steady-state grip task in eight stroke patients and eight healthy controls. Our results showed that healthy controls exhibited higher coupling when the scale reached up to about 12, and the FCMC in descending direction was stronger at certain scales (1, 7, 12, and 14 than that in ascending direction. Further analysis showed these multi-time scale characteristics mainly focused on the beta1 band at scale 11 and beta2 band at scale 9, 11, 13, and 15. Compared to controls, the multiscale properties of the FCMC for stroke were changed, the strengths in both directions were reduced, and the gaps between the descending and ascending directions were disappeared over all scales. Further analysis in specific bands showed that the reduced FCMC mainly focused on the alpha2 at higher scale, beta1 and beta2 across almost the entire scales. This study about multi-scale confirms that the FCMC between the brain and muscles is capable of complex and directional characteristics, and these characteristics in functional connection for stroke are destroyed by the structural lesion in the

  9. Multiscale Modeling and Uncertainty Quantification for Nuclear Fuel Performance

    Energy Technology Data Exchange (ETDEWEB)

    Estep, Donald [Colorado State Univ., Fort Collins, CO (United States); El-Azab, Anter [Florida State Univ., Tallahassee, FL (United States); Pernice, Michael [Idaho National Lab. (INL), Idaho Falls, ID (United States); Peterson, John W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Polyakov, Peter [Univ. of Wyoming, Laramie, WY (United States); Tavener, Simon [Colorado State Univ., Fort Collins, CO (United States); Xiu, Dongbin [Purdue Univ., West Lafayette, IN (United States); Univ. of Utah, Salt Lake City, UT (United States)

    2017-03-23

    In this project, we will address the challenges associated with constructing high fidelity multiscale models of nuclear fuel performance. We (*) propose a novel approach for coupling mesoscale and macroscale models, (*) devise efficient numerical methods for simulating the coupled system, and (*) devise and analyze effective numerical approaches for error and uncertainty quantification for the coupled multiscale system. As an integral part of the project, we will carry out analysis of the effects of upscaling and downscaling, investigate efficient methods for stochastic sensitivity analysis of the individual macroscale and mesoscale models, and carry out a posteriori error analysis for computed results. We will pursue development and implementation of solutions in software used at Idaho National Laboratories on models of interest to the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program.

  10. Multiscale Modeling of Wear Degradation in Cylinder Liners

    KAUST Repository

    Moraes, Alvaro; Ruggeri, Fabrizio; Tempone, Raul; Vilanova, Pedro

    2014-01-01

    both to predict and to avoid them. To achieve this, a monitoring system of the wear level should be implemented to decrease the risk of failure. In this work, we take a first step into the development of a multiscale indirect inference methodology

  11. Thermally conductive cementitious grouts for geothermal heat pumps. Progress report FY 1998

    Energy Technology Data Exchange (ETDEWEB)

    Allan, M.L.; Philippacopoulos, A.J.

    1998-11-01

    Research commenced in FY 97 to determine the suitability of superplasticized cement-sand grouts for backfilling vertical boreholes used with geothermal heat pump (GHP) systems. The overall objectives were to develop, evaluate and demonstrate cementitious grouts that could reduce the required bore length and improve the performance of GHPs. This report summarizes the accomplishments in FY 98. The developed thermally conductive grout consists of cement, water, a particular grade of silica sand, superplasticizer and a small amount of bentonite. While the primary function of the grout is to facilitate heat transfer between the U-loop and surrounding formation, it is also essential that the grout act as an effective borehole sealant. Two types of permeability (hydraulic conductivity) tests was conducted to evaluate the sealing performance of the cement-sand grout. Additional properties of the proposed grout that were investigated include bleeding, shrinkage, bond strength, freeze-thaw durability, compressive, flexural and tensile strengths, elastic modulus, Poisson`s ratio and ultrasonic pulse velocity.

  12. Impact of carbonation on water transport properties of cementitious materials

    International Nuclear Information System (INIS)

    Auroy, Martin

    2014-01-01

    Carbonation is a very well-known cementitious materials pathology. It is the major cause of reinforced concrete structures degradation. It leads to rebar corrosion and consequent concrete cover cracking. In the framework of radioactive waste management, cement-based materials used as building materials for structures or containers would be simultaneously submitted to drying and atmospheric carbonation. Although scientific literature regarding carbonating is vast, it is clearly lacking information about the influence of carbonation on water transport properties. This work then aimed at studying and understanding the change in water transport properties induced by carbonation. Simultaneously, the representativeness of accelerated carbonation (in the laboratory) was also studied. (author) [fr

  13. Cementitious Barriers Partnership (CBP): Using the CBP Software Toolbox to Simulate Sulfate Attack and Carbonation of Concrete Structures - 13481

    International Nuclear Information System (INIS)

    Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.; Sarkar, S.; Flach, G.; Langton, C.; Smith, F.G.III; Burns, H.; Van der Sloot, H.; Meeussen, J.C.L.; Seignette, P.F.A.B.; Samson, E.; Mallick, P.; Suttora, L.; Esh, D.; Fuhrmann, M.; Philip, J.

    2013-01-01

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy Office of Tank Waste Management. The CBP project has developed a set of integrated modeling tools and leaching test methods to help improve understanding and prediction of the long-term hydraulic and chemical performance of cementitious materials used in nuclear applications. State-of-the-art modeling tools, including LeachXS TM /ORCHESTRA and STADIUM R , were selected for their demonstrated abilities to simulate reactive transport and degradation in cementitious materials. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF), now adopted as part of the SW-846 RCRA methods, have been used to help make the link between modeling and experiment. Although each of the CBP tools has demonstrated utility as a standalone product, coupling the models over relevant spatial and temporal solution domains can provide more accurate predictions of cementitious materials behavior over relevant periods of performance. The LeachXS TM /ORCHESTRA and STADIUM R models were first linked to the GoldSim Monte Carlo simulator to better and more easily characterize model uncertainties and as a means to coupling the models allowing linking to broader performance assessment evaluations that use CBP results for a source term. Two important degradation scenarios were selected for initial demonstration: sulfate ingress / attack and carbonation of cementitious materials. When sufficient sulfate is present in the pore solution external to a concrete barrier, sulfate can diffuse into the concrete, react with the concrete solid phases, and cause cracking that significantly changes the transport and structural properties of the concrete. The penetration of gaseous carbon dioxide within partially saturated concrete usually initiates a series of carbonation reactions with

  14. Cementitious Barriers Partnership (CBP): Using the CBP Software Toolbox to Simulate Sulfate Attack and Carbonation of Concrete Structures - 13481

    Energy Technology Data Exchange (ETDEWEB)

    Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.; Sarkar, S. [Vanderbilt University, School of Engineering, CRESP, Nashville, TN 37235 (United States); Flach, G.; Langton, C.; Smith, F.G.III; Burns, H. [Savannah River National Laboratory, Aiken, SC 29808 (United States); Van der Sloot, H. [Hans Van der Sloot Consultancy, Dorpsstraat 216, 1721BV Langedijk (Netherlands); Meeussen, J.C.L. [Nuclear Research and Consultancy Group, Westerduinweg 3, Petten (Netherlands); Seignette, P.F.A.B. [Energy Research Center of The Netherlands, Petten (Netherlands); Samson, E. [SIMCO Technologies, Inc., Quebec (Canada); Mallick, P.; Suttora, L. [U.S. Department of Energy, Washington, DC (United States); Esh, D.; Fuhrmann, M.; Philip, J. [U.S. Nuclear Regulatory Commission, Washington, DC (United States)

    2013-07-01

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy Office of Tank Waste Management. The CBP project has developed a set of integrated modeling tools and leaching test methods to help improve understanding and prediction of the long-term hydraulic and chemical performance of cementitious materials used in nuclear applications. State-of-the-art modeling tools, including LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R}, were selected for their demonstrated abilities to simulate reactive transport and degradation in cementitious materials. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF), now adopted as part of the SW-846 RCRA methods, have been used to help make the link between modeling and experiment. Although each of the CBP tools has demonstrated utility as a standalone product, coupling the models over relevant spatial and temporal solution domains can provide more accurate predictions of cementitious materials behavior over relevant periods of performance. The LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R} models were first linked to the GoldSim Monte Carlo simulator to better and more easily characterize model uncertainties and as a means to coupling the models allowing linking to broader performance assessment evaluations that use CBP results for a source term. Two important degradation scenarios were selected for initial demonstration: sulfate ingress / attack and carbonation of cementitious materials. When sufficient sulfate is present in the pore solution external to a concrete barrier, sulfate can diffuse into the concrete, react with the concrete solid phases, and cause cracking that significantly changes the transport and structural properties of the concrete. The penetration of gaseous carbon dioxide within partially saturated concrete usually initiates a series of carbonation

  15. Multiscale modelling in immunology: a review.

    Science.gov (United States)

    Cappuccio, Antonio; Tieri, Paolo; Castiglione, Filippo

    2016-05-01

    One of the greatest challenges in biomedicine is to get a unified view of observations made from the molecular up to the organism scale. Towards this goal, multiscale models have been highly instrumental in contexts such as the cardiovascular field, angiogenesis, neurosciences and tumour biology. More recently, such models are becoming an increasingly important resource to address immunological questions as well. Systematic mining of the literature in multiscale modelling led us to identify three main fields of immunological applications: host-virus interactions, inflammatory diseases and their treatment and development of multiscale simulation platforms for immunological research and for educational purposes. Here, we review the current developments in these directions, which illustrate that multiscale models can consistently integrate immunological data generated at several scales, and can be used to describe and optimize therapeutic treatments of complex immune diseases. © The Author 2015. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  16. Multiscale structure in eco-evolutionary dynamics

    Science.gov (United States)

    Stacey, Blake C.

    In a complex system, the individual components are neither so tightly coupled or correlated that they can all be treated as a single unit, nor so uncorrelated that they can be approximated as independent entities. Instead, patterns of interdependency lead to structure at multiple scales of organization. Evolution excels at producing such complex structures. In turn, the existence of these complex interrelationships within a biological system affects the evolutionary dynamics of that system. I present a mathematical formalism for multiscale structure, grounded in information theory, which makes these intuitions quantitative, and I show how dynamics defined in terms of population genetics or evolutionary game theory can lead to multiscale organization. For complex systems, "more is different," and I address this from several perspectives. Spatial host--consumer models demonstrate the importance of the structures which can arise due to dynamical pattern formation. Evolutionary game theory reveals the novel effects which can result from multiplayer games, nonlinear payoffs and ecological stochasticity. Replicator dynamics in an environment with mesoscale structure relates to generalized conditionalization rules in probability theory. The idea of natural selection "acting at multiple levels" has been mathematized in a variety of ways, not all of which are equivalent. We will face down the confusion, using the experience developed over the course of this thesis to clarify the situation.

  17. Weighted multiscale Rényi permutation entropy of nonlinear time series

    Science.gov (United States)

    Chen, Shijian; Shang, Pengjian; Wu, Yue

    2018-04-01

    In this paper, based on Rényi permutation entropy (RPE), which has been recently suggested as a relative measure of complexity in nonlinear systems, we propose multiscale Rényi permutation entropy (MRPE) and weighted multiscale Rényi permutation entropy (WMRPE) to quantify the complexity of nonlinear time series over multiple time scales. First, we apply MPRE and WMPRE to the synthetic data and make a comparison of modified methods and RPE. Meanwhile, the influence of the change of parameters is discussed. Besides, we interpret the necessity of considering not only multiscale but also weight by taking the amplitude into account. Then MRPE and WMRPE methods are employed to the closing prices of financial stock markets from different areas. By observing the curves of WMRPE and analyzing the common statistics, stock markets are divided into 4 groups: (1) DJI, S&P500, and HSI, (2) NASDAQ and FTSE100, (3) DAX40 and CAC40, and (4) ShangZheng and ShenCheng. Results show that the standard deviations of weighted methods are smaller, showing WMRPE is able to ensure the results more robust. Besides, WMPRE can provide abundant dynamical properties of complex systems, and demonstrate the intrinsic mechanism.

  18. A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media

    Science.gov (United States)

    Yang, X.; Meng, X.; Tang, Y. H.; Guo, Z.; Karniadakis, G. E.

    2017-12-01

    Using emerging understanding of biological and environmental processes at fundamental scales to advance predictions of the larger system behavior requires the development of multiscale approaches, and there is strong interest in coupling models at different scales together in a hybrid multiscale simulation framework. A limited number of hybrid multiscale simulation methods have been developed for subsurface applications, mostly using application-specific approaches for model coupling. The proposed generalized hybrid multiscale approach is designed with minimal intrusiveness to the at-scale simulators (pre-selected) and provides a set of lightweight C++ scripts to manage a complex multiscale workflow utilizing a concurrent coupling approach. The workflow includes at-scale simulators (using the lattice-Boltzmann method, LBM, at the pore and Darcy scale, respectively), scripts for boundary treatment (coupling and kriging), and a multiscale universal interface (MUI) for data exchange. The current study aims to apply the generalized hybrid multiscale modeling approach to couple pore- and Darcy-scale models for flow and mixing-controlled reaction with precipitation/dissolution in heterogeneous porous media. The model domain is packed heterogeneously that the mixing front geometry is more complex and not known a priori. To address those challenges, the generalized hybrid multiscale modeling approach is further developed to 1) adaptively define the locations of pore-scale subdomains, 2) provide a suite of physical boundary coupling schemes and 3) consider the dynamic change of the pore structures due to mineral precipitation/dissolution. The results are validated and evaluated by comparing with single-scale simulations in terms of velocities, reactive concentrations and computing cost.

  19. Automatic facial pore analysis system using multi-scale pore detection.

    Science.gov (United States)

    Sun, J Y; Kim, S W; Lee, S H; Choi, J E; Ko, S J

    2017-08-01

    As facial pore widening and its treatments have become common concerns in the beauty care field, the necessity for an objective pore-analyzing system has been increased. Conventional apparatuses lack in usability requiring strong light sources and a cumbersome photographing process, and they often yield unsatisfactory analysis results. This study was conducted to develop an image processing technique for automatic facial pore analysis. The proposed method detects facial pores using multi-scale detection and optimal scale selection scheme and then extracts pore-related features such as total area, average size, depth, and the number of pores. Facial photographs of 50 subjects were graded by two expert dermatologists, and correlation analyses between the features and clinical grading were conducted. We also compared our analysis result with those of conventional pore-analyzing devices. The number of large pores and the average pore size were highly correlated with the severity of pore enlargement. In comparison with the conventional devices, the proposed analysis system achieved better performance showing stronger correlation with the clinical grading. The proposed system is highly accurate and reliable for measuring the severity of skin pore enlargement. It can be suitably used for objective assessment of the pore tightening treatments. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  20. Measurement of volume change in cementitious materials at early ages - Review of testing protocols and interpretation of results

    DEFF Research Database (Denmark)

    Sant, Gaurav; Lura, Pietro; Weiss, Jason

    2006-01-01

    Early-age cracking in concrete bridge decks, pavements, and superstructure elements has served as the impetus for substantial research on early-age shrinkage in cementitious materials. Much of this research has indicated how mixture proportions, constituent materials, and construction operations...

  1. A Tensor-Product-Kernel Framework for Multiscale Neural Activity Decoding and Control

    Science.gov (United States)

    Li, Lin; Brockmeier, Austin J.; Choi, John S.; Francis, Joseph T.; Sanchez, Justin C.; Príncipe, José C.

    2014-01-01

    Brain machine interfaces (BMIs) have attracted intense attention as a promising technology for directly interfacing computers or prostheses with the brain's motor and sensory areas, thereby bypassing the body. The availability of multiscale neural recordings including spike trains and local field potentials (LFPs) brings potential opportunities to enhance computational modeling by enriching the characterization of the neural system state. However, heterogeneity on data type (spike timing versus continuous amplitude signals) and spatiotemporal scale complicates the model integration of multiscale neural activity. In this paper, we propose a tensor-product-kernel-based framework to integrate the multiscale activity and exploit the complementary information available in multiscale neural activity. This provides a common mathematical framework for incorporating signals from different domains. The approach is applied to the problem of neural decoding and control. For neural decoding, the framework is able to identify the nonlinear functional relationship between the multiscale neural responses and the stimuli using general purpose kernel adaptive filtering. In a sensory stimulation experiment, the tensor-product-kernel decoder outperforms decoders that use only a single neural data type. In addition, an adaptive inverse controller for delivering electrical microstimulation patterns that utilizes the tensor-product kernel achieves promising results in emulating the responses to natural stimulation. PMID:24829569

  2. An approach to multiscale modelling with graph grammars.

    Science.gov (United States)

    Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

    2014-09-01

    Functional-structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models.

  3. The Cementitious Barriers Partnership Experimental Programs and Software Advancing DOE@@@s Waste Disposal/Tank Closure Efforts @@@ 15436

    International Nuclear Information System (INIS)

    Burns, Heather; Flach, Greg; Smith, Frank; Langton, Christine; Brown, Kevin; Kosson, David; Samson, Eric; Mallick, Pramod

    2015-01-01

    The U.S. Department of Energy Environmental Management (DOE-EM) Office of Tank Waste Management-sponsored Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. DOE needs in this area include the following to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex: long-term performance predictions, flow sheet development and flow sheet enhancements, and conceptual designs for new disposal facilities. The DOE-EM Cementitious Barriers Partnership is producing software and experimental programs resulting in new methods and data needed for end-users involved with environmental cleanup and waste disposal. Both the modeling tools and the experimental data have already benefited the DOE sites in the areas of performance assessments by increasing confidence backed up with modeling support, leaching methods, and transport properties developed for actual DOE materials. In 2014, the CBP Partnership released the CBP Software Toolbox @@ @@Version 2.0@@@ which provides concrete degradation models for 1) sulfate attack, 2) carbonation, and 3) chloride initiated rebar corrosion, and includes constituent leaching. These models are applicable and can be used by both DOE and the Nuclear Regulatory Commission (NRC) for service life and long-term performance evaluations and predictions of nuclear and radioactive waste containment structures across the DOE complex, including future SRS Saltstone and HLW tank performance assessments and special analyses, Hanford site HLW tank closure projects and other projects in which cementitious barriers are required, the Advanced Simulation Capability for Environmental Management (ASCEM) project which requires source terms from cementitious containment structures as input to their flow simulations, regulatory reviews of DOE performance

  4. Effect of various supplementary cementitious materials on rheological properties of self-consolidating concrete

    OpenAIRE

    Saleh Ahari, Reza; Erdem, Tahir Kemal; Ramyar, Kambiz

    2015-01-01

    In design of self-consolidating concrete (SCC) for a given application, the mixture's rheological parameters should be adjusted to achieve a given profile of yield stress and plastic viscosity. Supplementary cementitious materials (SCM) can be useful for this adjustment in addition to their other advantages. In this study, the rheological properties of 57 SCC mixtures with various SCM were investigated for a constant slump flow value. For this aim, various amounts of silica fume (SF), metakao...

  5. Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

    KAUST Repository

    Gao, Kai

    2015-04-14

    It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both boundaries and the interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.

  6. Multi-scale and multi-orientation medical image analysis

    NARCIS (Netherlands)

    Haar Romenij, ter B.M.; Deserno, T.M.

    2011-01-01

    Inspired by multi-scale and multi-orientation mechanisms recognized in the first stages of our visual system, this chapter gives a tutorial overview of the basic principles. Images are discrete, measured data. The optimal aperture for an observation with as little artefacts as possible, is derived

  7. A multiscale mortar multipoint flux mixed finite element method

    KAUST Repository

    Wheeler, Mary Fanett

    2012-02-03

    In this paper, we develop a multiscale mortar multipoint flux mixed finite element method for second order elliptic problems. The equations in the coarse elements (or subdomains) are discretized on a fine grid scale by a multipoint flux mixed finite element method that reduces to cell-centered finite differences on irregular grids. The subdomain grids do not have to match across the interfaces. Continuity of flux between coarse elements is imposed via a mortar finite element space on a coarse grid scale. With an appropriate choice of polynomial degree of the mortar space, we derive optimal order convergence on the fine scale for both the multiscale pressure and velocity, as well as the coarse scale mortar pressure. Some superconvergence results are also derived. The algebraic system is reduced via a non-overlapping domain decomposition to a coarse scale mortar interface problem that is solved using a multiscale flux basis. Numerical experiments are presented to confirm the theory and illustrate the efficiency and flexibility of the method. © EDP Sciences, SMAI, 2012.

  8. Numerical methods for reliability and safety assessment multiscale and multiphysics systems

    CERN Document Server

    Hami, Abdelkhalak

    2015-01-01

    This book offers unique insight on structural safety and reliability by combining computational methods that address multiphysics problems, involving multiple equations describing different physical phenomena, and multiscale problems, involving discrete sub-problems that together  describe important aspects of a system at multiple scales. The book examines a range of engineering domains and problems using dynamic analysis, nonlinear methods, error estimation, finite element analysis, and other computational techniques. This book also: ·       Introduces novel numerical methods ·       Illustrates new practical applications ·       Examines recent engineering applications ·       Presents up-to-date theoretical results ·       Offers perspective relevant to a wide audience, including teaching faculty/graduate students, researchers, and practicing engineers

  9. Transient Thermal Response of Lightweight Cementitious Composites Made with Polyurethane Foam Waste

    Science.gov (United States)

    Kismi, M.; Poullain, P.; Mounanga, P.

    2012-07-01

    The development of low-cost lightweight aggregate (LWA) mortars and concretes presents many advantages, especially in terms of lightness and thermal insulation performances of structures. Low-cost LWA mainly comes from the recovery of vegetal or plastic wastes. This article focuses on the characterization of the thermal conductivity of innovative lightweight cementitious composites made with fine particles of rigid polyurethane (PU) foam waste. Five mortars were prepared with various mass substitution rates of cement with PU-foam particles. Their thermal conductivity was measured with two transient methods: the heating-film method and the hot-disk method. The incorporation of PU-foam particles causes a reduction of up to 18 % of the mortar density, accompanied by a significant improvement of the thermal insulating performance. The effect of segregation on the thermal properties of LWA mortars due to the differences of density among the cementitious matrix, sand, and LWA has also been quantified. The application of the hot-disk method reveals a gradient of thermal conductivity along the thickness of the specimens, which could be explained by a non-uniform repartition of fine PU-foam particles and mineral aggregates within the mortars. The results show a spatial variation of the thermal conductivity of the LWA mortars, ranging from 9 % to 19 %. However, this variation remains close to or even lower than that observed on a normal weight aggregate mortar. Finally, a self-consistent approach is proposed to estimate the thermal conductivity of PU-foam cement-based composites.

  10. A Combined In Vitro Imaging and Multi-Scale Modeling System for Studying the Role of Cell Matrix Interactions in Cutaneous Wound Healing.

    Directory of Open Access Journals (Sweden)

    Aribet M De Jesus

    Full Text Available Many cell types remodel the extracellular matrix of the tissues they inhabit in response to a wide range of environmental stimuli, including mechanical cues. Such is the case in dermal wound healing, where fibroblast migrate into and remodel the provisional fibrin matrix in a complex manner that depends in part on the local mechanical environment and the evolving multi-scale mechanical interactions of the system. In this study, we report on the development of an image-based multi-scale mechanical model that predicts the short-term (24 hours, structural reorganization of a fibrin gel by fibroblasts. These predictive models are based on an in vitro experimental system where clusters of fibroblasts (i.e., explants were spatially arranged into a triangular geometry onto the surface of fibrin gels that were subjected to either Fixed or Free in-plane mechanical constraints. Experimentally, regional differences in short-term structural remodeling and cell migration were observed for the two gel boundary conditions. A pilot experiment indicated that these small differences in the short-term remodeling of the fibrin gel translate into substantial differences in long-term (4 weeks remodeling, particularly in terms of collagen production. The multi-scale models were able to predict some regional differences in remodeling and qualitatively similar reorganization patterns for the two boundary conditions. However, other aspects of the model, such as the magnitudes and rates of deformation of gel, did not match the experiments. These discrepancies between model and experiment provide fertile ground for challenging model assumptions and devising new experiments to enhance our understanding of how this multi-scale system functions. These efforts will ultimately improve the predictions of the remodeling process, particularly as it relates to dermal wound healing and the reduction of patient scarring. Such models could be used to recommend patient

  11. Cement technology for borehole plugging: an interim report on permeability measurements of cementitious solids

    International Nuclear Information System (INIS)

    McDaniel, E.W.

    1980-01-01

    The permeability of borehole plug solids and plug-wall rock junctions is a property of major interest in the Borehole Plugging Program. This report describes the equipment and techniques used to determine the permeabilities of possible borehole plugging materials and presents results from tests on various cementitious solids and plug-rock combinations. The cementitious solids were made from mixtures of cement, sand, salt, fly ash, and water. Three different types of cement and four different fly ashes were used. Permeabilities ranged from a high value of 3 x 10 -4 darcy for a neat cement paste to a low of 5 x 10 -8 darcy for a saltcrete containing 30 wt % sodium chloride. Miniature boreholes were made in the following four different types of rock: Westerly granite, Dresser basalt, Sioux quartzite, and St. Cloud granodiorite. These small holes were plugged with a mix consisting of 23 wt % Type I Portland cement, 20 wt % bituminous fy ash, 43.2 wt % sand, and 13.8 wt % water. After curing for 91 days at ambient temperature, the permeability of the plug-wall rock junctions ranged from 3 x 10 -5 to -8 darcy. Three of the four miniature plugged boreholes exhibited permeabilities of < 10 microdarcys

  12. Desorption isotherms of cementitious materials: study of an accelerated protocol and estimation of RVE

    International Nuclear Information System (INIS)

    Wu, Qier

    2014-01-01

    In the framework of French radioactive waste management and storage, the durability evaluation and prediction of concrete structures requires the knowledge of desorption isotherm of concrete. The aim of the present study is to develop an accelerated experimental method to obtain desorption isotherm of cementitious materials more quickly and to estimate the Representative Volume Element (RVE) size related to the desorption isotherm of concrete. In order to ensure that experimental results can be statistically considered representative, a great amount of sliced samples of cementitious materials with three different thicknesses (1 mm, 2 mm and 3 mm) have been de-saturated. The effect of slice thickness and the saturation condition on the mass variation kinetics and the desorption isotherms is analyzed. The influence of the aggregate distribution on the water content and the water saturation degree is also analyzed. A method based on statistical analysis of water content and water saturation degree is proposed to estimate the RVE for water desorption experiment of concrete. The evolution of shrinkage with relative humidity is also followed for each material during the water desorption experiment. A protocol of cycle of rapid desaturation-re-saturation is applied and shows the existence of hysteresis between desorption and adsorption. (author)

  13. Wet-Treated MSWI Fly Ash Used as Supplementary Cementitious Material

    Directory of Open Access Journals (Sweden)

    Martin Keppert

    2015-01-01

    Full Text Available Municipal solid waste incineration (MSWI is a common technique in treatment of domestic waste. This technique annually produces approximately 25 Mt solid residues (i.e., bottom and fly ash worldwide which is also a major issue in current research. In this research we are concerned with reusing the fly ash (FA as supplementary cementitious material (SCM in concrete. Such application solves the problem with heavy metal immobilization as well. To remove the high content of undesired soluble salts, number of washing treatments has been applied. Chemical composition of FA has been examined before and after treatments. The impact of cement substitution by FA in concrete was evaluated by measurement of its compressive strength and durability.

  14. Cost-Effective Cementitious Material Compatible with Yucca Mountain Repository Geochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Dole, LR

    2004-12-17

    The current plans for the Yucca Mountain (YM) repository project (YMP) use steel structures to stabilize the disposal drifts and connecting tunnels that are collectively over 100 kilometers in length. The potential exist to reduce the underground construction cost by 100s of millions of dollars and improve the repository's performance. These economic and engineering goals can be achieved by using the appropriate cementitious materials to build out these tunnels. This report describes the required properties of YM compatible cements and reviews the literature that proves the efficacy of this approach. This report also describes a comprehensive program to develop and test materials for a suite of underground construction technologies.

  15. Cementitious waste option scoping study report

    International Nuclear Information System (INIS)

    Lee, A.E.; Taylor, D.D.

    1998-02-01

    A Settlement Agreement between the Department of Energy (DOE) and the State of Idaho mandates that all high-level radioactive waste (HLW) now stored at the Idaho Chemical Processing Plant (ICPP) on the Idaho National Engineering and Environmental Laboratory (INEEL) will be treated so that it is ready to be moved out of Idaho for disposal by a target date of 2035. This study investigates the nonseparations Cementitious Waste Option (CWO) as a means to achieve this goal. Under this option all liquid sodium-bearing waste (SBW) and existing HLW calcine would be recalcined with sucrose, grouted, canisterized, and interim stored as a mixed-HLW for eventual preparation and shipment off-Site for disposal. The CWO waste would be transported to a Greater Confinement Disposal Facility (GCDF) located in the southwestern desert of the US on the Nevada Test Site (NTS). All transport preparation, shipment, and disposal facility activities are beyond the scope of this study. CWO waste processing, packaging, and interim storage would occur over a 5-year period between 2013 and 2017. Waste transport and disposal would occur during the same time period

  16. Cementitious waste option scoping study report

    Energy Technology Data Exchange (ETDEWEB)

    Lee, A.E.; Taylor, D.D.

    1998-02-01

    A Settlement Agreement between the Department of Energy (DOE) and the State of Idaho mandates that all high-level radioactive waste (HLW) now stored at the Idaho Chemical Processing Plant (ICPP) on the Idaho National Engineering and Environmental Laboratory (INEEL) will be treated so that it is ready to be moved out of Idaho for disposal by a target date of 2035. This study investigates the nonseparations Cementitious Waste Option (CWO) as a means to achieve this goal. Under this option all liquid sodium-bearing waste (SBW) and existing HLW calcine would be recalcined with sucrose, grouted, canisterized, and interim stored as a mixed-HLW for eventual preparation and shipment off-Site for disposal. The CWO waste would be transported to a Greater Confinement Disposal Facility (GCDF) located in the southwestern desert of the US on the Nevada Test Site (NTS). All transport preparation, shipment, and disposal facility activities are beyond the scope of this study. CWO waste processing, packaging, and interim storage would occur over a 5-year period between 2013 and 2017. Waste transport and disposal would occur during the same time period.

  17. Acoustic Emission Monitoring of Cementitious Wasteforms

    International Nuclear Information System (INIS)

    Spasova, L.M.; Ojovan, M.I.

    2013-01-01

    A summary is presented of the potential of non-destructive acoustic emission (AE) method to be applied for structures immobilising nuclear wastes. The use and limitations of the method are discussed with given examples of experimental configurations and results obtained from AE monitoring and data analysis of two different processes addressing particular issues related to the nuclear waste immobilisation. These are (a) corrosion of aluminium, classified as intermediate level waste (ILW) in the UK, encapsulated in cementitious structures and (b) partial melting and solidification during cooling of granite at a pressure of 0.15 GPa which simulates the conditions in a deep borehole disposal of canisters of vitrified high level waste (HLW). Methodology for analysis of the collected data and characterisation of the potential AE sources is performed at different steps including simple signals count and more complex signal parameter-based approach and advanced signal processing. The AE method has been shown as a potential tool for monitoring and inspection of structures immobilising nuclear wastes in relation to the time progress of different interactions of the waste with the encapsulating matrix or the wasteform with the hosting environment for permanent disposal. (author)

  18. Flexural Behavior of High-Volume Steel Fiber Cementitious Composite Externally Reinforced with Basalt FRP Sheet

    OpenAIRE

    Seungwon Kim; Cheolwoo Park

    2016-01-01

    High-performance fiber-reinforced cementitious composites (HPFRCCs) are characterized by unique tensile strain hardening and multiple microcracking behaviors. The HPFRCC, which demonstrates remarkable properties such as strength, ductility, toughness, durability, stiffness, and thermal resistance, is a class of fiber cement composite with fine aggregates. It can withstand tensile stresses by forming distributed microcracks owing to the embedded fibers in the concrete, which improve the energy...

  19. Linear theory for filtering nonlinear multiscale systems with model error.

    Science.gov (United States)

    Berry, Tyrus; Harlim, John

    2014-07-08

    In this paper, we study filtering of multiscale dynamical systems with model error arising from limitations in resolving the smaller scale processes. In particular, the analysis assumes the availability of continuous-time noisy observations of all components of the slow variables. Mathematically, this paper presents new results on higher order asymptotic expansion of the first two moments of a conditional measure. In particular, we are interested in the application of filtering multiscale problems in which the conditional distribution is defined over the slow variables, given noisy observation of the slow variables alone. From the mathematical analysis, we learn that for a continuous time linear model with Gaussian noise, there exists a unique choice of parameters in a linear reduced model for the slow variables which gives the optimal filtering when only the slow variables are observed. Moreover, these parameters simultaneously give the optimal equilibrium statistical estimates of the underlying system, and as a consequence they can be estimated offline from the equilibrium statistics of the true signal. By examining a nonlinear test model, we show that the linear theory extends in this non-Gaussian, nonlinear configuration as long as we know the optimal stochastic parametrization and the correct observation model. However, when the stochastic parametrization model is inappropriate, parameters chosen for good filter performance may give poor equilibrium statistical estimates and vice versa; this finding is based on analytical and numerical results on our nonlinear test model and the two-layer Lorenz-96 model. Finally, even when the correct stochastic ansatz is given, it is imperative to estimate the parameters simultaneously and to account for the nonlinear feedback of the stochastic parameters into the reduced filter estimates. In numerical experiments on the two-layer Lorenz-96 model, we find that the parameters estimated online , as part of a filtering

  20. Residual-driven online generalized multiscale finite element methods

    KAUST Repository

    Chung, Eric T.; Efendiev, Yalchin R.; Leung, Wing Tat

    2015-01-01

    In the paper, theoretical and numerical results are presented. Our numerical results show that if the offline space is sufficiently large (in terms of the dimension) such that the coarse space contains all multiscale spectral basis functions that correspond to small eigenvalues, then the error reduction by adding online multiscale basis function is independent of the contrast. We discuss various ways computing online multiscale basis functions which include a use of small dimensional offline spaces.

  1. Heat structure coupling of CUPID and MARS for the multi-scale simulation of the passive auxiliary feedwater system

    International Nuclear Information System (INIS)

    Kyu Cho, Hyoung; Cho, Yun Je; Yoon, Han Young

    2014-01-01

    Graphical abstract: - Highlights: • PAFS is designed to replace a conventional active auxiliary feedwater system. • Multi-D T/H analysis code, CUPID was coupled with the 1-D system analysis code MARS. • The coupled CUPID and MARS was applied for the multi-scale analysis of the PAFS test facility. • The simulation result showed that the coupled code can reproduce important phenomena in PAFS. - Abstract: For the analysis of transient two-phase flows in nuclear reactor components, a three-dimensional thermal hydraulics code, named CUPID, has been developed. In the present study, the CUPID code was coupled with a system analysis code MARS in order to apply it for the multi-scale thermal-hydraulic analysis of the passive auxiliary feedwater system (PAFS). The PAFS is one of the advanced safety features adopted in the Advanced Power Reactor Plus (APR+), which is intended to completely replace the conventional active auxiliary feedwater system. For verification of the coupling and validation of the coupled code, the PASCAL test facility was simulated, which was constructed with an aim of validating the cooling and operational performance of the PAFS. The two-phase flow phenomena of the steam supply system including the condensation inside the heat exchanger tube were calculated by MARS while the natural circulation and the boil-off in the large water pool that contains the heat exchanger tube were simulated by CUPID. This paper presents the description of the PASCAL facility, the coupling method and the simulation results using the coupled code

  2. Innovation in use and research on cementitious material

    International Nuclear Information System (INIS)

    Scrivener, Karen L.; Kirkpatrick, R. James

    2008-01-01

    In this paper we discuss innovations in concrete technology which are currently being applied in the field-namely high and ultra high performance (strength), and self consolidating concrete. We discuss the factors which have enabled these developments and ongoing needs in these areas. The importance of sustainability as the major driver for future innovations and prospects for development of new cementitious materials with lower environmental impact is briefly discussed. Finally the importance of innovation in research is examined. The dramatic development in experimental and computational techniques over recent years opens up wide-ranging possibilities for understanding the micro- and nano- scale chemical and physical processes which underlie performance at a macroscopic level. The example of computational approaches at the atomic and molecular scale is presented in detail. In order to exploit the opportunities presented by such new techniques, there needs to be greater efforts to structure interdisciplinary, multi-group research

  3. Engineering Digestion: Multiscale Processes of Food Digestion.

    Science.gov (United States)

    Bornhorst, Gail M; Gouseti, Ourania; Wickham, Martin S J; Bakalis, Serafim

    2016-03-01

    Food digestion is a complex, multiscale process that has recently become of interest to the food industry due to the developing links between food and health or disease. Food digestion can be studied by using either in vitro or in vivo models, each having certain advantages or disadvantages. The recent interest in food digestion has resulted in a large number of studies in this area, yet few have provided an in-depth, quantitative description of digestion processes. To provide a framework to develop these quantitative comparisons, a summary is given here between digestion processes and parallel unit operations in the food and chemical industry. Characterization parameters and phenomena are suggested for each step of digestion. In addition to the quantitative characterization of digestion processes, the multiscale aspect of digestion must also be considered. In both food systems and the gastrointestinal tract, multiple length scales are involved in food breakdown, mixing, absorption. These different length scales influence digestion processes independently as well as through interrelated mechanisms. To facilitate optimized development of functional food products, a multiscale, engineering approach may be taken to describe food digestion processes. A framework for this approach is described in this review, as well as examples that demonstrate the importance of process characterization as well as the multiple, interrelated length scales in the digestion process. © 2016 Institute of Food Technologists®

  4. Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites

    Science.gov (United States)

    Fasanella, Nicholas A.

    Epoxy-composites are widely used in the aerospace industry. In order to improve upon stiffness and thermal conductivity; carbon nanotube additives to epoxies are being explored. This dissertation presents multiscale modeling techniques to study the engineering properties of single walled carbon nanotube (SWNT)-epoxy nanocomposites, consisting of pristine and covalently functionalized systems. Using Molecular Dynamics (MD), thermomechanical properties were calculated for a representative polymer unit cell. Finite Element (FE) and orientation distribution function (ODF) based methods were used in a multiscale framework to obtain macroscale properties. An epoxy network was built using the dendrimer growth approach. The epoxy model was verified by matching the experimental glass transition temperature, density, and dilatation. MD, via the constant valence force field (CVFF), was used to explore the mechanical and dilatometric effects of adding pristine and functionalized SWNTs to epoxy. Full stiffness matrices and linear coefficient of thermal expansion vectors were obtained. The Green-Kubo method was used to investigate the thermal conductivity as a function of temperature for the various nanocomposites. Inefficient phonon transport at the ends of nanotubes is an important factor in the thermal conductivity of the nanocomposites, and for this reason discontinuous nanotubes were modeled in addition to long nanotubes. To obtain continuum-scale elastic properties from the MD data, multiscale modeling was considered to give better control over the volume fraction of nanotubes, and investigate the effects of nanotube alignment. Two methods were considered; an FE based method, and an ODF based method. The FE method probabilistically assigned elastic properties of elements from the MD lattice results based on the desired volume fraction and alignment of the nanotubes. For the ODF method, a distribution function was generated based on the desired amount of nanotube alignment

  5. Cementitious Stabilization of Mixed Wastes with High Salt Loadings

    International Nuclear Information System (INIS)

    Spence, R.D.; Burgess, M.W.; Fedorov, V.V.; Downing, D.J.

    1999-01-01

    Salt loadings approaching 50 wt % were tolerated in cementitious waste forms that still met leach and strength criteria, addressing a Technology Deficiency of low salt loadings previously identified by the Mixed Waste Focus Area. A statistical design quantified the effect of different stabilizing ingredients and salt loading on performance at lower loadings, allowing selection of the more effective ingredients for studying the higher salt loadings. In general, the final waste form needed to consist of 25 wt % of the dry stabilizing ingredients to meet the criteria used and 25 wt % water to form a workable paste, leaving 50 wt % for waste solids. The salt loading depends on the salt content of the waste solids but could be as high as 50 wt % if all the waste solids are salt

  6. Multi-Scale Three-Dimensional Variational Data Assimilation System for Coastal Ocean Prediction

    Science.gov (United States)

    Li, Zhijin; Chao, Yi; Li, P. Peggy

    2012-01-01

    A multi-scale three-dimensional variational data assimilation system (MS-3DVAR) has been formulated and the associated software system has been developed for improving high-resolution coastal ocean prediction. This system helps improve coastal ocean prediction skill, and has been used in support of operational coastal ocean forecasting systems and field experiments. The system has been developed to improve the capability of data assimilation for assimilating, simultaneously and effectively, sparse vertical profiles and high-resolution remote sensing surface measurements into coastal ocean models, as well as constraining model biases. In this system, the cost function is decomposed into two separate units for the large- and small-scale components, respectively. As such, data assimilation is implemented sequentially from large to small scales, the background error covariance is constructed to be scale-dependent, and a scale-dependent dynamic balance is incorporated. This scheme then allows effective constraining large scales and model bias through assimilating sparse vertical profiles, and small scales through assimilating high-resolution surface measurements. This MS-3DVAR enhances the capability of the traditional 3DVAR for assimilating highly heterogeneously distributed observations, such as along-track satellite altimetry data, and particularly maximizing the extraction of information from limited numbers of vertical profile observations.

  7. Generalized multiscale finite element methods (GMsFEM)

    KAUST Repository

    Efendiev, Yalchin R.; Galvis, Juan; Hou, Thomasyizhao

    2013-01-01

    In this paper, we propose a general approach called Generalized Multiscale Finite Element Method (GMsFEM) for performing multiscale simulations for problems without scale separation over a complex input space. As in multiscale finite element methods (MsFEMs), the main idea of the proposed approach is to construct a small dimensional local solution space that can be used to generate an efficient and accurate approximation to the multiscale solution with a potentially high dimensional input parameter space. In the proposed approach, we present a general procedure to construct the offline space that is used for a systematic enrichment of the coarse solution space in the online stage. The enrichment in the online stage is performed based on a spectral decomposition of the offline space. In the online stage, for any input parameter, a multiscale space is constructed to solve the global problem on a coarse grid. The online space is constructed via a spectral decomposition of the offline space and by choosing the eigenvectors corresponding to the largest eigenvalues. The computational saving is due to the fact that the construction of the online multiscale space for any input parameter is fast and this space can be re-used for solving the forward problem with any forcing and boundary condition. Compared with the other approaches where global snapshots are used, the local approach that we present in this paper allows us to eliminate unnecessary degrees of freedom on a coarse-grid level. We present various examples in the paper and some numerical results to demonstrate the effectiveness of our method. © 2013 Elsevier Inc.

  8. Generalized multiscale finite element methods (GMsFEM)

    KAUST Repository

    Efendiev, Yalchin R.

    2013-10-01

    In this paper, we propose a general approach called Generalized Multiscale Finite Element Method (GMsFEM) for performing multiscale simulations for problems without scale separation over a complex input space. As in multiscale finite element methods (MsFEMs), the main idea of the proposed approach is to construct a small dimensional local solution space that can be used to generate an efficient and accurate approximation to the multiscale solution with a potentially high dimensional input parameter space. In the proposed approach, we present a general procedure to construct the offline space that is used for a systematic enrichment of the coarse solution space in the online stage. The enrichment in the online stage is performed based on a spectral decomposition of the offline space. In the online stage, for any input parameter, a multiscale space is constructed to solve the global problem on a coarse grid. The online space is constructed via a spectral decomposition of the offline space and by choosing the eigenvectors corresponding to the largest eigenvalues. The computational saving is due to the fact that the construction of the online multiscale space for any input parameter is fast and this space can be re-used for solving the forward problem with any forcing and boundary condition. Compared with the other approaches where global snapshots are used, the local approach that we present in this paper allows us to eliminate unnecessary degrees of freedom on a coarse-grid level. We present various examples in the paper and some numerical results to demonstrate the effectiveness of our method. © 2013 Elsevier Inc.

  9. Determination of Chloride Content in Cementitious Materials : From Fundamental Aspects to Application of Ag/AgCl Chloride Sensors

    NARCIS (Netherlands)

    Pargar, F.; Koleva, D.A.; van Breugel, K.

    2017-01-01

    This paper reports on the advantages and drawbacks of available test methods for the determination of chloride content in cementitious materials in general, and the application of Ag/AgCl chloride sensors in particular. The main factors that affect the reliability of a chloride sensor are presented.

  10. Iterative equalization for OFDM systems over wideband Multi-Scale Multi-Lag channels

    NARCIS (Netherlands)

    Xu, T.; Tang, Z.; Remis, R.; Leus, G.

    2012-01-01

    OFDM suffers from inter-carrier interference (ICI) when the channel is time varying. This article seeks to quantify the amount of interference resulting from wideband OFDM channels, which are assumed to follow the multi-scale multi-lag (MSML) model. The MSML channel model results in full channel

  11. A generalized multiscale finite element method for elastic wave propagation in fractured media

    KAUST Repository

    Chung, Eric T.

    2016-02-26

    In this paper, we consider elastic wave propagation in fractured media applying a linear-slip model to represent the effects of fractures on the wavefield. Fractured media, typically, are highly heterogeneous due to multiple length scales. Direct numerical simulations for wave propagation in highly heterogeneous fractured media can be computationally expensive and require some type of model reduction. We develop a multiscale model reduction technique that captures the complex nature of the media (heterogeneities and fractures) in the coarse scale system. The proposed method is based on the generalized multiscale finite element method, where the multiscale basis functions are constructed to capture the fine-scale information of the heterogeneous, fractured media and effectively reduce the degrees of freedom. These multiscale basis functions are coupled via the interior penalty discontinuous Galerkin method, which provides a block-diagonal mass matrix. The latter is needed for fast computation in an explicit time discretization, which is used in our simulations. Numerical results are presented to show the performance of the presented multiscale method for fractured media. We consider several cases where fractured media contain fractures of multiple lengths. Our numerical results show that the proposed reduced-order models can provide accurate approximations for the fine-scale solution.

  12. A generalized multiscale finite element method for elastic wave propagation in fractured media

    KAUST Repository

    Chung, Eric T.; Efendiev, Yalchin R.; Gibson, Richard L.; Vasilyeva, Maria

    2016-01-01

    In this paper, we consider elastic wave propagation in fractured media applying a linear-slip model to represent the effects of fractures on the wavefield. Fractured media, typically, are highly heterogeneous due to multiple length scales. Direct numerical simulations for wave propagation in highly heterogeneous fractured media can be computationally expensive and require some type of model reduction. We develop a multiscale model reduction technique that captures the complex nature of the media (heterogeneities and fractures) in the coarse scale system. The proposed method is based on the generalized multiscale finite element method, where the multiscale basis functions are constructed to capture the fine-scale information of the heterogeneous, fractured media and effectively reduce the degrees of freedom. These multiscale basis functions are coupled via the interior penalty discontinuous Galerkin method, which provides a block-diagonal mass matrix. The latter is needed for fast computation in an explicit time discretization, which is used in our simulations. Numerical results are presented to show the performance of the presented multiscale method for fractured media. We consider several cases where fractured media contain fractures of multiple lengths. Our numerical results show that the proposed reduced-order models can provide accurate approximations for the fine-scale solution.

  13. Transitions of the Multi-Scale Singularity Trees

    DEFF Research Database (Denmark)

    Somchaipeng, Kerawit; Sporring, Jon; Kreiborg, Sven

    2005-01-01

    Multi-Scale Singularity Trees(MSSTs) [10] are multi-scale image descriptors aimed at representing the deep structures of images. Changes in images are directly translated to changes in the deep structures; therefore transitions in MSSTs. Because MSSTs can be used to represent the deep structure...

  14. Multiscale Simulation of Breaking Wave Impacts

    DEFF Research Database (Denmark)

    Lindberg, Ole

    compare reasonably well. The incompressible and inviscid ALE-WLS model is coupled with the potential flow model of Engsig-Karup et al. [2009], to perform multiscale calculation of breaking wave impacts on a vertical breakwater. The potential flow model provides accurate calculation of the wave...... with a potential flow model to provide multiscale calculation of forces from breaking wave impacts on structures....

  15. OBJECT-ORIENTED CHANGE DETECTION BASED ON MULTI-SCALE APPROACH

    Directory of Open Access Journals (Sweden)

    Y. Jia

    2016-06-01

    Full Text Available The change detection of remote sensing images means analysing the change information quantitatively and recognizing the change types of the surface coverage data in different time phases. With the appearance of high resolution remote sensing image, object-oriented change detection method arises at this historic moment. In this paper, we research multi-scale approach for high resolution images, which includes multi-scale segmentation, multi-scale feature selection and multi-scale classification. Experimental results show that this method has a stronger advantage than the traditional single-scale method of high resolution remote sensing image change detection.

  16. The Cementitious Barriers Partnership Experimental Programs and Software Advancing DOE’s Waste Disposal/Tank Closure Efforts – 15436

    Energy Technology Data Exchange (ETDEWEB)

    Burns, Heather [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Flach, Greg [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Smith, Frank [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Langton, Christine [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Brown, Kevin [Vanderbilt Univ./CRESP, Nashville, TN (United States); Kosson, David [Vanderbilt Univ./CRESP, Nashville, TN (United States); Samson, Eric [SIMCO Technologies, Inc. (United States); Mallick, Pramod [US DOE, Washington, DC (United States)

    2015-01-27

    The U.S. Department of Energy Environmental Management (DOE-EM) Office of Tank Waste Management-sponsored Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. DOE needs in this area include the following to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex: long-term performance predictions, flow sheet development and flow sheet enhancements, and conceptual designs for new disposal facilities. The DOE-EM Cementitious Barriers Partnership is producing software and experimental programs resulting in new methods and data needed for end-users involved with environmental cleanup and waste disposal. Both the modeling tools and the experimental data have already benefited the DOE sites in the areas of performance assessments by increasing confidence backed up with modeling support, leaching methods, and transport properties developed for actual DOE materials. In 2014, the CBP Partnership released the CBP Software Toolbox –“Version 2.0” which provides concrete degradation models for 1) sulfate attack, 2) carbonation, and 3) chloride initiated rebar corrosion, and includes constituent leaching. These models are applicable and can be used by both DOE and the Nuclear Regulatory Commission (NRC) for service life and long-term performance evaluations and predictions of nuclear and radioactive waste containment structures across the DOE complex, including future SRS Saltstone and HLW tank performance assessments and special analyses, Hanford site HLW tank closure projects and other projects in which cementitious barriers are required, the Advanced Simulation Capability for Environmental Management (ASCEM) project which requires source terms from cementitious containment structures as input to their flow simulations, regulatory reviews of DOE performance

  17. Round robin test for define an accurate protocol to measure the pore fluid pH of low-pH cementitious materials

    International Nuclear Information System (INIS)

    Alonso, M.C.; Garcia Calvo, J.L.; Pettersson, S.; Puigdomenech, I.; Cunado, M.A.; Vuorio, M.; Weber, H.; Ueda, H.; Naito, M.; Walker, C.; Takeshi, Y.; Cau Dit Coumes, C.

    2012-01-01

    The present research belongs to an international project where several of the main nuclear waste management agencies have been involved. The main objective is the development of agreed procedures or protocols for measuring the pH value using low-pH cementitious products (LopHC). The Pore Fluid Expression (PFE) has been identified as reference method and Ex-situ Leaching methods (ELS) with two variants (filtering and without filtering the obtained suspension) have been identified as routine methods. Both methodologies are based on the extraction of the pore solution of the concrete before pH determination. The protocols employed were based on a broad literature review and in fitting the more critical parameters, such as the sample size, the carbonation affection, the leaching of cement hydrates during the measurement, etc. Moreover, the routine methods were validated with respect to the pore fluid expression results. It appears that the repeatability of the 3 pH measurement protocols is very good and that the results obtained with both ESL procedures agree well with the results given by the PFE technique in the case of low-pH cementitious materials and are acceptable in the case of cementitious materials with high pore fluid pH values, in that case some corrections considering the Ca content of the solution may be needed

  18. Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes

    Science.gov (United States)

    Field, Martin J.; Wymore, Troy W.

    2014-10-01

    The 2013 Nobel Prize in Chemistry was awarded for the development of multiscale models for complex chemical systems, whereas the 2013 Peace Prize was given to the Organisation for the Prohibition of Chemical Weapons for their efforts to eliminate chemical warfare agents. This review relates the two by introducing the field of multiscale modeling and highlighting its application to the study of the biological mechanisms by which selected chemical weapon agents exert their effects at an atomic level.

  19. Generalized multiscale finite element methods: Oversampling strategies

    KAUST Repository

    Efendiev, Yalchin R.; Galvis, Juan; Li, Guanglian; Presho, Michael

    2014-01-01

    In this paper, we propose oversampling strategies in the generalized multiscale finite element method (GMsFEM) framework. The GMsFEM, which has been recently introduced in Efendiev et al. (2013b) [Generalized Multiscale Finite Element Methods, J. Comput. Phys., vol. 251, pp. 116-135, 2013], allows solving multiscale parameter-dependent problems at a reduced computational cost by constructing a reduced-order representation of the solution on a coarse grid. The main idea of the method consists of (1) the construction of snapshot space, (2) the construction of the offline space, and (3) construction of the online space (the latter for parameter-dependent problems). In Efendiev et al. (2013b) [Generalized Multiscale Finite Element Methods, J. Comput. Phys., vol. 251, pp. 116-135, 2013], it was shown that the GMsFEM provides a flexible tool to solve multiscale problems with a complex input space by generating appropriate snapshot, offline, and online spaces. In this paper, we develop oversampling techniques to be used in this context (see Hou and Wu (1997) where oversampling is introduced for multiscale finite element methods). It is known (see Hou and Wu (1997)) that the oversampling can improve the accuracy of multiscale methods. In particular, the oversampling technique uses larger regions (larger than the target coarse block) in constructing local basis functions. Our motivation stems from the analysis presented in this paper, which shows that when using oversampling techniques in the construction of the snapshot space and offline space, GMsFEM will converge independent of small scales and high contrast under certain assumptions. We consider the use of a multiple eigenvalue problems to improve the convergence and discuss their relation to single spectral problems that use oversampled regions. The oversampling procedures proposed in this paper differ from those in Hou and Wu (1997). In particular, the oversampling domains are partially used in constructing local

  20. Self-Adaptive Event-Driven Simulation of Multi-Scale Plasma Systems

    Science.gov (United States)

    Omelchenko, Yuri; Karimabadi, Homayoun

    2005-10-01

    Multi-scale plasmas pose a formidable computational challenge. The explicit time-stepping models suffer from the global CFL restriction. Efficient application of adaptive mesh refinement (AMR) to systems with irregular dynamics (e.g. turbulence, diffusion-convection-reaction, particle acceleration etc.) may be problematic. To address these issues, we developed an alternative approach to time stepping: self-adaptive discrete-event simulation (DES). DES has origin in operations research, war games and telecommunications. We combine finite-difference and particle-in-cell techniques with this methodology by assuming two caveats: (1) a local time increment, dt for a discrete quantity f can be expressed in terms of a physically meaningful quantum value, df; (2) f is considered to be modified only when its change exceeds df. Event-driven time integration is self-adaptive as it makes use of causality rules rather than parametric time dependencies. This technique enables asynchronous flux-conservative update of solution in accordance with local temporal scales, removes the curse of the global CFL condition, eliminates unnecessary computation in inactive spatial regions and results in robust and fast parallelizable codes. It can be naturally combined with various mesh refinement techniques. We discuss applications of this novel technology to diffusion-convection-reaction systems and hybrid simulations of magnetosonic shocks.

  1. Incorporation mode effect of Nano-silica on the rheological and mechanical properties of cementitious pastes and cement mortars

    Science.gov (United States)

    Safi, B.; Aknouche, H.; Mechakra, H.; Aboutaleb, D.; Bouali, K.

    2018-04-01

    Previous research indicates that the inclusion of nanosilica (NS) modifies the properties of the fresh and hardened state, compared to the traditional mineral additions. NS decreases the setting times of the cement mortar compared to silica fume (SF) and reduce of required water while improving the cohesion of the mixtures in the fresh state. Some authors estimate that the appropriate percentage of Nano-silica should be small (1 to 5% by weight) because of difficulties caused by agglomeration to particles during mixing, while others indicate that 10% by weight, if adjustments are made to the formulation to avoid an excess of self-drying and micro cracks that could impede strength. For this purpose, the present work aim to see the effect of the introduction mode of the nanosilica on the rheological and physic mechanical properties of cement mortars. In this study, NS was used either powdered with cement or in solution with the superplasticizer (Superplasticizer doped in nanosilica). Results show that the use of nanosilica powder (replacing cement on the one hand) has a negative influence on the rheological parameters and the rheological behavior of cementitious pastes. However, the introduction of nanosilica in solution in the superplasticizer (SP) was significantly improved the rheological parameters and the rheological behavior of cementitious pastes. Indeed, more the dosage of NS-doped SP increases more the shear stress and viscosities of the cementitious pastes become more fluid and manageable. A significant reduction of shear stress and plastic viscosity were observed that due to the increase in superplasticizer. A dosage of 1.5% NS-doped SP gave adequate fluidity and the shear rate was lower.

  2. Analytical Model for the Probability Characteristics of a Crack Penetrating Capsules in Capsule-Based Self-Healing Cementitious Materials

    Directory of Open Access Journals (Sweden)

    Zhong LV

    2017-08-01

    Full Text Available Autonomous crack healing using pre-embedded capsules containing healing agent is becoming a promising approach to restore the strength of damaged structures. In addition to the material properties, the size and volume fraction of capsules influence crack healing in the matrix. Understanding the crack and capsule interaction is critical in the development and design of structures made of capsule-based self-healing materials. Continuing our previous study, in this contribution a more practical rupturing mode of capsules characterizing the rupturing manner of capsules fractured by cracks in cementitious materials is presented, i.e., penetrating mode. With the underlying assumption that a crack penetrating capsules undoubtedly leads to crack healing, geometrical probability theory is employed to develop the quantitative relationship between crack size and capsule size, capsule concentration in capsule-based self-healing virtual cementitious material. Moreover, an analytical expression of probability of a crack penetrating with randomly dispersed capsules is developed in two-dimensional material matrix setup. The influences of the induced rupturing modes of capsules embedded on the self-healing efficiency are analyzed. Much attention is paid to compare the penetrating probability and the hitting probability, in order to assist the designer to make a choice of the optimal rupturing modes of capsules embedded. The accuracy of results of the theoretical model is also compared with Monte-Carlo numerical analysis of crack interacting with capsules. It shows that the developed probability characteristics of a crack interaction with capsules for different rupturing modes is helpful to provide guidelines for designer working with capsule-based self-healing cementitious materials.DOI: http://dx.doi.org/10.5755/j01.ms.23.3.16888

  3. Cementitious stabilization of chromium, arsenic, and selenium in a cooling tower sludge

    International Nuclear Information System (INIS)

    Spence, R.D.; Gilliam, T.M.; Bleier, A.

    1995-01-01

    The Federal Facility Compliance Agreement (FFCA) establishes an aggressive schedule for conducting studies and treatment method development under the treatability exclusion of RCRA for those mixed wastes for which treatment methods and capabilities have yet to be defined. One of these wastes is a radioactive cooling tower sludge. This paper presents some results of a treatability study of the stabilization of this cooling tower sludge in cementitious waste forms. The sample of the cooling tower sludge obtained for this study was found to be not characteristically hazardous in regard to arsenic, barium, chromium, lead, and selenium, despite the waste codes associated with this waste. However, the scope of this study included spiking three RCRA metals to two orders of magnitude above the initial concentration to test the limits of cementitious stabilization. Chromium and arsenic were spiked at concentrations of 200, 2,000, and 20,000 mg/kg, and selenium was spiked at 100, 1,000, and 10,000 mg/kg (concentrations based on the metal in the sludge solids). Portland cement, Class F fly ash, and slag were selected as stabilizing agents in the present study. Perlite, a fine, porous volcanic rock commonly used as a filter aid, was used as a water-sorptive agent in this study in order to control bleed water for high water contents. The highly porous perlite dust absorbs large amounts of water by capillary action and does not present the handling and processing problems exhibited by clays used for bleed water control

  4. Utilization of Construction Waste Composite Powder Materials as Cementitious Materials in Small-Scale Prefabricated Concrete

    OpenAIRE

    Cuizhen Xue; Aiqin Shen; Yinchuan Guo; Tianqin He

    2016-01-01

    The construction and demolition wastes have increased rapidly due to the prosperity of infrastructure construction. For the sake of effectively reusing construction wastes, this paper studied the potential use of construction waste composite powder material (CWCPM) as cementitious materials in small-scale prefabricated concretes. Three types of such concretes, namely, C20, C25, and C30, were selected to investigate the influences of CWCPM on their working performances, mechanical properties, ...

  5. Advanced computational workflow for the multi-scale modeling of the bone metabolic processes.

    Science.gov (United States)

    Dao, Tien Tuan

    2017-06-01

    Multi-scale modeling of the musculoskeletal system plays an essential role in the deep understanding of complex mechanisms underlying the biological phenomena and processes such as bone metabolic processes. Current multi-scale models suffer from the isolation of sub-models at each anatomical scale. The objective of this present work was to develop a new fully integrated computational workflow for simulating bone metabolic processes at multi-scale levels. Organ-level model employs multi-body dynamics to estimate body boundary and loading conditions from body kinematics. Tissue-level model uses finite element method to estimate the tissue deformation and mechanical loading under body loading conditions. Finally, cell-level model includes bone remodeling mechanism through an agent-based simulation under tissue loading. A case study on the bone remodeling process located on the human jaw was performed and presented. The developed multi-scale model of the human jaw was validated using the literature-based data at each anatomical level. Simulation outcomes fall within the literature-based ranges of values for estimated muscle force, tissue loading and cell dynamics during bone remodeling process. This study opens perspectives for accurately simulating bone metabolic processes using a fully integrated computational workflow leading to a better understanding of the musculoskeletal system function from multiple length scales as well as to provide new informative data for clinical decision support and industrial applications.

  6. Revisiting of Multiscale Static Analysis of Notched Laminates Using the Generalized Method of Cells

    Science.gov (United States)

    Naghipour Ghezeljeh, Paria; Arnold, Steven M.; Pineda, Evan J.

    2016-01-01

    Composite material systems generally exhibit a range of behavior on different length scales (from constituent level to macro); therefore, a multiscale framework is beneficial for the design and engineering of these material systems. The complex nature of the observed composite failure during experiments suggests the need for a three-dimensional (3D) multiscale model to attain a reliable prediction. However, the size of a multiscale three-dimensional finite element model can become prohibitively large and computationally costly. Two-dimensional (2D) models are preferred due to computational efficiency, especially if many different configurations have to be analyzed for an in-depth damage tolerance and durability design study. In this study, various 2D and 3D multiscale analyses will be employed to conduct a detailed investigation into the tensile failure of a given multidirectional, notched carbon fiber reinforced polymer laminate. Threedimensional finite element analysis is typically considered more accurate than a 2D finite element model, as compared with experiments. Nevertheless, in the absence of adequate mesh refinement, large differences may be observed between a 2D and 3D analysis, especially for a shear-dominated layup. This observed difference has not been widely addressed in previous literature and is the main focus of this paper.

  7. An investigation of magnox sludge and alumino-ferric floc waste simulate, immobilised by a cementitious matrix

    International Nuclear Information System (INIS)

    Halley, D.G.

    1983-09-01

    Magnox sludge and alumino ferric floc simulates, prepared using non-radioactive tracers were immobilised by a cementitious system. Formulation design aimed at optimising pollutant leaching with permeability and compressive strength as secondary considerations. The behaviour of the products under accelerated weathering conditions was investigated. The study was divided into two parts: Formulation design in Phase I and the systematic testing of the optimum formulations under freeze-thaw, and hydration -dehydration conditions in Phase 2. Analytical method development for leachate analysis continued through both Phases. The Barnwood method of leach testing was used. The immobilised waste had good physical properties (i.e. high strength and low permeability) and a significant improvement was achieved during the course of the work in the leach rates of the tracers, particularly of caesium and strontium. (author)

  8. COMBS: open source python library for RVE generation - Application to microscale diffusion simulations in cementitious materials

    International Nuclear Information System (INIS)

    Bourcier, C.; Laucoin, E.; Dridi, W.; Chomat, L.; Bary, B.; Adam, E.

    2013-01-01

    In the context of radioactive waste storage and disposal, the knowledge of the concrete diffusivity is primordial in the numerical simulations of the long term behavior of these materials. COMBS is an open source python library, it is used to define the shapes of the inclusions, to insert them in the box featuring the representative volume element (RVE) of the cementitious medium, and to assess their diffusive properties. The algorithms developed in COMBS target a fast placement of the inclusions and a fast generation of the RVE shape and mesh. Two application cases are considered: the unaltered material diffusivity and the degraded material diffusivity. The first case of application focuses on the description of the capillary porosity. The second application case focuses on the description of the degradation of cementitious material (mineral and porosity) and the diffusive properties associated. The reliability of the analytical effective medium approximations (MT and SC) is confirmed from 3D finite elements (FE) calculations performed on a matrix-inclusions microstructure obtained by RVE generation with Combs. The results also show the need to take into account the percolation behavior

  9. Effects of carbonation, irradiation and temperature onto strontium immobilization into a cementitious matrix

    International Nuclear Information System (INIS)

    Bar-Nes, G.; Arbel-Haddad, M.; Chomat, L.; Poyet, S.; Mace, N.; Hossepied, C.

    2015-01-01

    In the present study, the decoupled effects of carbonation, irradiation and temperature on strontium immobilization in a CEM-I cement matrix are described. After 6 months of treatment, mineralogical characterization (X-ray diffraction - XRD and thermogravimetric analysis - TGA), leaching tests (according to ANSI.ANS-16.1 standard method) and sorption experiments were carried out. The mineralogical evolution was shown to be similar for samples submitted to irradiation at atmospheric conditions or carbonation at a controlled temperature of 40 C. degrees. The main mineralogical change during these two treatments is the formation of calcium carbonate; calcite is detected at the sample surface and the two carbonate metastable phases (aragonite and vaterite) in the depth of the sample. Although it was not possible to identify, by the techniques used, the association of Sr with any specific cementitious phase present in the investigated samples, the leaching results showed that the fraction of Sr leached from samples exposed to carbonation during their degradation process, was approximately 6 times lower compared to the corresponding samples degraded under inert conditions. The sorption experiments onto the hydrated cement paste show a small but significant retention of Sr in these matrices without allowing a possible identification of the phase responsible for the retention. Post leaching mineralogical characterization is to be performed in order to study the effect of the leaching process on the sample mineralogy and to locate the binding sites of the Sr ions within the cementitious paste. (authors)

  10. Training Systems Modelers through the Development of a Multi-scale Chagas Disease Risk Model

    Science.gov (United States)

    Hanley, J.; Stevens-Goodnight, S.; Kulkarni, S.; Bustamante, D.; Fytilis, N.; Goff, P.; Monroy, C.; Morrissey, L. A.; Orantes, L.; Stevens, L.; Dorn, P.; Lucero, D.; Rios, J.; Rizzo, D. M.

    2012-12-01

    The goal of our NSF-sponsored Division of Behavioral and Cognitive Sciences grant is to create a multidisciplinary approach to develop spatially explicit models of vector-borne disease risk using Chagas disease as our model. Chagas disease is a parasitic disease endemic to Latin America that afflicts an estimated 10 million people. The causative agent (Trypanosoma cruzi) is most commonly transmitted to humans by blood feeding triatomine insect vectors. Our objectives are: (1) advance knowledge on the multiple interacting factors affecting the transmission of Chagas disease, and (2) provide next generation genomic and spatial analysis tools applicable to the study of other vector-borne diseases worldwide. This funding is a collaborative effort between the RSENR (UVM), the School of Engineering (UVM), the Department of Biology (UVM), the Department of Biological Sciences (Loyola (New Orleans)) and the Laboratory of Applied Entomology and Parasitology (Universidad de San Carlos). Throughout this five-year study, multi-educational groups (i.e., high school, undergraduate, graduate, and postdoctoral) will be trained in systems modeling. This systems approach challenges students to incorporate environmental, social, and economic as well as technical aspects and enables modelers to simulate and visualize topics that would either be too expensive, complex or difficult to study directly (Yasar and Landau 2003). We launch this research by developing a set of multi-scale, epidemiological models of Chagas disease risk using STELLA® software v.9.1.3 (isee systems, inc., Lebanon, NH). We use this particular system dynamics software as a starting point because of its simple graphical user interface (e.g., behavior-over-time graphs, stock/flow diagrams, and causal loops). To date, high school and undergraduate students have created a set of multi-scale (i.e., homestead, village, and regional) disease models. Modeling the system at multiple spatial scales forces recognition that

  11. Radioactive waste-Portland cement systems: I, radionuclide distribution

    International Nuclear Information System (INIS)

    Jantzen, C.M.; Glasser, F.P.; Lachowski, E.E.

    1984-01-01

    Crystal chemical stabilization of radioactive wastes can be achieved during clinkering of, or with, ordinary portland cement. Waste loadings of 20 to 30 wt% are achieved by dilute solid solution of waste ions into cementitious host lattices. Higher waste loadings result in compatible noncementitious radiophases. The cementitious phases hydrate without loss of compressive strength. Crystallochemical relationships predict that the radionuclide partitioning in the anhydrous clinkered phases will be maintained in the hydration products. These cementitious hydroxylated radiophases would be in internal equilibrium under anticipated repository conditions. The radionuclide distributions observed are described in the context of established phase equilibria for commercial waste cement systems, but are applicable to transuranic, medium- and low-level wastes

  12. RBF Multiscale Collocation for Second Order Elliptic Boundary Value Problems

    KAUST Repository

    Farrell, Patricio

    2013-01-01

    In this paper, we discuss multiscale radial basis function collocation methods for solving elliptic partial differential equations on bounded domains. The approximate solution is constructed in a multilevel fashion, each level using compactly supported radial basis functions of smaller scale on an increasingly fine mesh. On each level, standard symmetric collocation is employed. A convergence theory is given, which builds on recent theoretical advances for multiscale approximation using compactly supported radial basis functions. We are able to show that the convergence is linear in the number of levels. We also discuss the condition numbers of the arising systems and the effect of simple, diagonal preconditioners, now proving rigorously previous numerical observations. © 2013 Society for Industrial and Applied Mathematics.

  13. Multi-Scale Scattering Transform in Music Similarity Measuring

    Science.gov (United States)

    Wang, Ruobai

    Scattering transform is a Mel-frequency spectrum based, time-deformation stable method, which can be used in evaluating music similarity. Compared with Dynamic time warping, it has better performance in detecting similar audio signals under local time-frequency deformation. Multi-scale scattering means to combine scattering transforms of different window lengths. This paper argues that, multi-scale scattering transform is a good alternative of dynamic time warping in music similarity measuring. We tested the performance of multi-scale scattering transform against other popular methods, with data designed to represent different conditions.

  14. Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Kai, E-mail: kaigao87@gmail.com [Department of Geology and Geophysics, Texas A& M University, College Station, TX 77843 (United States); Fu, Shubin, E-mail: shubinfu89@gmail.com [Department of Mathematics, Texas A& M University, College Station, TX 77843 (United States); Gibson, Richard L., E-mail: gibson@tamu.edu [Department of Geology and Geophysics, Texas A& M University, College Station, TX 77843 (United States); Chung, Eric T., E-mail: tschung@math.cuhk.edu.hk [Department of Mathematics, The Chinese University of Hong Kong, Shatin, NT (Hong Kong); Efendiev, Yalchin, E-mail: efendiev@math.tamu.edu [Department of Mathematics, Texas A& M University, College Station, TX 77843 (United States); Numerical Porous Media SRI Center (NumPor), King Abdullah University of Science and Technology, Thuwal (Saudi Arabia)

    2015-08-15

    It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.

  15. Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

    International Nuclear Information System (INIS)

    Gao, Kai; Fu, Shubin; Gibson, Richard L.; Chung, Eric T.; Efendiev, Yalchin

    2015-01-01

    It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system

  16. PENGARUH PENAMBAHAN SIKA GROUT PADA MORTAR SEBAGAI BAHAN GROUTING TERHADAP LEKATAN TULANGAN DALAM BETON DENGAN COPPER SLAG SEBAGAI CEMENTITIOUS

    Directory of Open Access Journals (Sweden)

    Mohammad Sulton

    2012-09-01

    Full Text Available Abstract: The Impact of Sika Grout Addition on Grouting Mortar Toward Concrete Reinforcement Stickness with Copper Slag as Cementitious. The aim of this research is to identify the impact of Sika Grout addition on grouting mortar toward concrete reinforcement stickness with copper slag as cementitious. The experiment result of this research shows that (1 the addition of Sika Grout 215 in grouting mortar can improve the reinforcement stickness; (2 the use of 100% Sika Grout 215 in grouting mortar produces maximum stickness; (3 the stickness of 100% Sika Grout 215 has 12.800 kg stronger (2,8% of improvement than those of using copper slag reinforcement (without grouting as 12.450 kg; (4 the use of less than 100% Sika Grout produces less stickness of no-grouting reinforcement; and (5 there is similar slip characteristic between  concrete reinforcement added with grouting and without grouting as 2,5 mm on outer part of the mortar.

  17. Multiscale Persistent Functions for Biomolecular Structure Characterization

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Kelin [Nanyang Technological University (Singapore). Division of Mathematical Sciences, School of Physical, Mathematical Sciences and School of Biological Sciences; Li, Zhiming [Central China Normal University, Wuhan (China). Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics; Mu, Lin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division

    2017-11-02

    Here in this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions (MRFs) with persistent homology analysis, so as to construct a series of multiscale persistent functions, particularly multiscale persistent entropies, for structure characterization. To clarify the fundamental idea of our method, the multiscale persistent entropy (MPE) model is discussed in great detail. Mathematically, unlike the previous persistent entropy (Chintakunta et al. in Pattern Recognit 48(2):391–401, 2015; Merelli et al. in Entropy 17(10):6872–6892, 2015; Rucco et al. in: Proceedings of ECCS 2014, Springer, pp 117–128, 2016), a special resolution parameter is incorporated into our model. Various scales can be achieved by tuning its value. Physically, our MPE can be used in conformational entropy evaluation. More specifically, it is found that our method incorporates in it a natural classification scheme. This is achieved through a density filtration of an MRF built from angular distributions. To further validate our model, a systematical comparison with the traditional entropy evaluation model is done. Additionally, it is found that our model is able to preserve the intrinsic topological features of biomolecular data much better than traditional approaches, particularly for resolutions in the intermediate range. Moreover, by comparing with traditional entropies from various grid sizes, bond angle-based methods and a persistent homology-based support vector machine method (Cang et al. in Mol Based Math Biol 3:140–162, 2015), we find that our MPE method gives the best results in terms of average true positive rate in a classic protein structure classification test. More interestingly, all-alpha and all-beta protein classes can be clearly separated from each other with zero error only in our model. Finally, a special protein structure index (PSI) is proposed, for the first

  18. Proceedings of the research conference on cementitious composites in decommissioning and waste management (RCWM2017)

    International Nuclear Information System (INIS)

    Sano, Yuichi; Ashida, Takashi

    2017-11-01

    Collaborative Laboratories for Advanced Decommissioning Science (CLADS) is responsible to promote international cooperation in the R and D activities on the decommissioning of Fukushima Daiichi Nuclear Power Station and to develop the necessary human resources. CLADS held the Research Conference on Cementitious Composites in Decommissioning and Waste Management (RCWM2017) on 20th and 21st June, 2017. This report compiles the abstracts and the presentation materials in the above conference. (author)

  19. Multiscale agent-based cancer modeling.

    Science.gov (United States)

    Zhang, Le; Wang, Zhihui; Sagotsky, Jonathan A; Deisboeck, Thomas S

    2009-04-01

    Agent-based modeling (ABM) is an in silico technique that is being used in a variety of research areas such as in social sciences, economics and increasingly in biomedicine as an interdisciplinary tool to study the dynamics of complex systems. Here, we describe its applicability to integrative tumor biology research by introducing a multi-scale tumor modeling platform that understands brain cancer as a complex dynamic biosystem. We summarize significant findings of this work, and discuss both challenges and future directions for ABM in the field of cancer research.

  20. Multiscale methods in computational fluid and solid mechanics

    NARCIS (Netherlands)

    Borst, de R.; Hulshoff, S.J.; Lenz, S.; Munts, E.A.; Brummelen, van E.H.; Wall, W.; Wesseling, P.; Onate, E.; Periaux, J.

    2006-01-01

    First, an attempt is made towards gaining a more systematic understanding of recent progress in multiscale modelling in computational solid and fluid mechanics. Sub- sequently, the discussion is focused on variational multiscale methods for the compressible and incompressible Navier-Stokes

  1. SU-F-18C-15: Model-Based Multiscale Noise Reduction On Low Dose Cone Beam Projection

    International Nuclear Information System (INIS)

    Yao, W; Farr, J

    2014-01-01

    Purpose: To improve image quality of low dose cone beam CT for patient positioning in radiation therapy. Methods: In low dose cone beam CT (CBCT) imaging systems, Poisson process governs the randomness of photon fluence at x-ray source and the detector because of the independent binomial process of photon absorption in medium. On a CBCT projection, the variance of fluence consists of the variance of noiseless imaging structure and that of Poisson noise, which is proportional to the mean (noiseless) of the fluence at the detector. This requires multiscale filters to smoothen noise while keeping the structure information of the imaged object. We used a mathematical model of Poisson process to design multiscale filters and established the balance of noise correction and structure blurring. The algorithm was checked with low dose kilo-voltage CBCT projections acquired from a Varian OBI system. Results: From the investigation of low dose CBCT of a Catphan phantom and patients, it showed that our model-based multiscale technique could efficiently reduce noise and meanwhile keep the fine structure of the imaged object. After the image processing, the number of visible line pairs in Catphan phantom scanned with 4 ms pulse time was similar to that scanned with 32 ms, and soft tissue structure from simulated 4 ms patient head-and-neck images was also comparable with scanned 20 ms ones. Compared with fixed-scale technique, the image quality from multiscale one was improved. Conclusion: Use of projection-specific multiscale filters can reach better balance on noise reduction and structure information loss. The image quality of low dose CBCT can be improved by using multiscale filters

  2. International Conference on Multiscale Methods and Partial Differential Equations.

    Energy Technology Data Exchange (ETDEWEB)

    Thomas Hou

    2006-12-12

    The International Conference on Multiscale Methods and Partial Differential Equations (ICMMPDE for short) was held at IPAM, UCLA on August 26-27, 2005. The conference brought together researchers, students and practitioners with interest in the theoretical, computational and practical aspects of multiscale problems and related partial differential equations. The conference provided a forum to exchange and stimulate new ideas from different disciplines, and to formulate new challenging multiscale problems that will have impact in applications.

  3. Changes in the Complexity of Heart Rate Variability with Exercise Training Measured by Multiscale Entropy-Based Measurements

    Directory of Open Access Journals (Sweden)

    Frederico Sassoli Fazan

    2018-01-01

    Full Text Available Quantifying complexity from heart rate variability (HRV series is a challenging task, and multiscale entropy (MSE, along with its variants, has been demonstrated to be one of the most robust approaches to achieve this goal. Although physical training is known to be beneficial, there is little information about the long-term complexity changes induced by the physical conditioning. The present study aimed to quantify the changes in physiological complexity elicited by physical training through multiscale entropy-based complexity measurements. Rats were subject to a protocol of medium intensity training ( n = 13 or a sedentary protocol ( n = 12 . One-hour HRV series were obtained from all conscious rats five days after the experimental protocol. We estimated MSE, multiscale dispersion entropy (MDE and multiscale SDiff q from HRV series. Multiscale SDiff q is a recent approach that accounts for entropy differences between a given time series and its shuffled dynamics. From SDiff q , three attributes (q-attributes were derived, namely SDiff q m a x , q m a x and q z e r o . MSE, MDE and multiscale q-attributes presented similar profiles, except for SDiff q m a x . q m a x showed significant differences between trained and sedentary groups on Time Scales 6 to 20. Results suggest that physical training increases the system complexity and that multiscale q-attributes provide valuable information about the physiological complexity.

  4. Variational multiscale models for charge transport.

    Science.gov (United States)

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  5. Variational multiscale models for charge transport

    Science.gov (United States)

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  6. Development of an accurate pH measurement methodology for the pore fluids of low pH cementitious materials

    International Nuclear Information System (INIS)

    Alonso, M. C.; Garcia Calvo, J. L.; Walker, C.

    2012-08-01

    The main objective of this project has been the development of an agreed set of protocols for the pH measurement of the pore fluid of a low pH cementitious material. Three protocols have been developed (Chapter 2), a reference method, based on pore fluid expression (PFE), and two routine methods with and without filtering, based on Ex Situ Leaching (ESL) procedures. Templates have been designed on which to record details of the pH measurement for the reference (PFE) method (Appendix C) and the routine (ESL) methods without and with filtering (Appendix D). Preliminary protocols were based on a broad review of the literature (Appendix A) and refined through a series of test experiments of the more critical parameters (Appendix B). After definition of the preliminary protocols, two phases of interlaboratory tests were performed. The first phase (Chapter 3) used the same low pH cement paste and enabled the nine participating laboratories to use, become familiar with and to identify any problems/uncertainties in the preliminary protocols. The reported pH values were subjected to a statistical analysis of the (within laboratory) repeatability and (between-laboratory) reproducibility and so provided a reliability test of the preliminary protocols. The second phase (Chapter 4) of interlaboratory tests used four different candidate low pH cementitious materials in the same nine laboratories, which allowed testing, validation and comparison of the reported pH values, which were obtained using the final protocols for the reference (PFE) and routine (ESL) methods by statistical analysis. The proposed final protocols (Chapter 2) have resulted in the reported pH values having low deviation and high reproducibility and repeatability. This will allow confidence in the pH value when selecting a candidate low pH cementitious material to be used in the engineered component of a high-level nuclear waste repository

  7. Development of an accurate pH measurement methodology for the pore fluids of low pH cementitious materials

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, M. C.; Garcia Calvo, J. L. [The Spanish National Research Council (CSIC), Madrid (Spain); Walker, C. [Japan Atomic Energy Agency (JAEA), Ibaraki (Japan)] [and others

    2012-08-15

    The main objective of this project has been the development of an agreed set of protocols for the pH measurement of the pore fluid of a low pH cementitious material. Three protocols have been developed (Chapter 2), a reference method, based on pore fluid expression (PFE), and two routine methods with and without filtering, based on Ex Situ Leaching (ESL) procedures. Templates have been designed on which to record details of the pH measurement for the reference (PFE) method (Appendix C) and the routine (ESL) methods without and with filtering (Appendix D). Preliminary protocols were based on a broad review of the literature (Appendix A) and refined through a series of test experiments of the more critical parameters (Appendix B). After definition of the preliminary protocols, two phases of interlaboratory tests were performed. The first phase (Chapter 3) used the same low pH cement paste and enabled the nine participating laboratories to use, become familiar with and to identify any problems/uncertainties in the preliminary protocols. The reported pH values were subjected to a statistical analysis of the (within laboratory) repeatability and (between-laboratory) reproducibility and so provided a reliability test of the preliminary protocols. The second phase (Chapter 4) of interlaboratory tests used four different candidate low pH cementitious materials in the same nine laboratories, which allowed testing, validation and comparison of the reported pH values, which were obtained using the final protocols for the reference (PFE) and routine (ESL) methods by statistical analysis. The proposed final protocols (Chapter 2) have resulted in the reported pH values having low deviation and high reproducibility and repeatability. This will allow confidence in the pH value when selecting a candidate low pH cementitious material to be used in the engineered component of a high-level nuclear waste repository.

  8. Simulated shift work in rats perturbs multiscale regulation of locomotor activity

    Science.gov (United States)

    Hsieh, Wan-Hsin; Escobar, Carolina; Yugay, Tatiana; Lo, Men-Tzung; Pittman-Polletta, Benjamin; Salgado-Delgado, Roberto; Scheer, Frank A. J. L.; Shea, Steven A.; Buijs, Ruud M.; Hu, Kun

    2014-01-01

    Motor activity possesses a multiscale regulation that is characterized by fractal activity fluctuations with similar structure across a wide range of timescales spanning minutes to hours. Fractal activity patterns are disturbed in animals after ablating the master circadian pacemaker (suprachiasmatic nucleus, SCN) and in humans with SCN dysfunction as occurs with aging and in dementia, suggesting the crucial role of the circadian system in the multiscale activity regulation. We hypothesized that the normal synchronization between behavioural cycles and the SCN-generated circadian rhythms is required for multiscale activity regulation. To test the hypothesis, we studied activity fluctuations of rats in a simulated shift work protocol that was designed to force animals to be active during the habitual resting phase of the circadian/daily cycle. We found that these animals had gradually decreased mean activity level and reduced 24-h activity rhythm amplitude, indicating disturbed circadian and behavioural cycles. Moreover, these animals had disrupted fractal activity patterns as characterized by more random activity fluctuations at multiple timescales from 4 to 12 h. Intriguingly, these activity disturbances exacerbated when the shift work schedule lasted longer and persisted even in the normal days (without forced activity) following the shift work. The disrupted circadian and fractal patterns resemble those of SCN-lesioned animals and of human patients with dementia, suggesting a detrimental impact of shift work on multiscale activity regulation. PMID:24829282

  9. Behaviour of cementitious materials: sulfates and temperature actions

    International Nuclear Information System (INIS)

    Barbarulo, Remi

    2002-09-01

    The research work presented in this Ph.D. thesis is related to the nuclear waste underground repository concept. Concrete could be used in such a repository, and would be subjected to variations of temperature in presence of sulfate, a situation that could induce expansion of concrete. The research was lead in three parts: an experimental study of the possibility of an internal sulfate attack on mortars; an experimental study and modeling of the chemical equilibriums of the CaO-SiO 2 -Al 2 O 3 -SO 3 -H 2 O system; and a modeling of the mechanisms of internal and external sulfate attacks, and the effect of temperature. The results show that mortars can develop expansions after a steam-cure during hydration, but also when a long steam-cure is applied to one-year-old mortars, which is a new point. Ettringite precipitation can be considered as responsible for these expansions. The experimental study of the CaO-SiO 2 -Al 2 O 3 -SO 3 -H 2 O system clarified the role of Calcium Silicate Hydrates (C-S-H) on chemical equilibriums of cementitious materials. Sulfate sorption on C-S-H has been studied in detail. The quantity of sulfate bound to the C-S-H mainly depends on the sulfate concentration in solution, on the Ca/Si ratio of the C-S-H and is not significantly influenced by temperature. Aluminium inclusion in the C-S-H seems to be a significant phenomenon. Temperature increases the calcium sulfo-aluminate solubilities and thus increases sulfates concentration in solution. A modeling of the chemical system is proposed. Simulations of external sulfate attack (15 mmol/L of Na 2 SO 4 ) predict ettringite precipitation at 20 and 85±C. Simulation of internal sulfate attack was performed at a local scale (a hydrated cement grain). An initial inhomogeneity can lead, after a thermal curing at 85±C, to ettringite precipitation in zones originally free from ettringite. This new-formed ettringite could be the origin of the expansions. (author) [fr

  10. Toward a global multi-scale heliophysics observatory

    Science.gov (United States)

    Semeter, J. L.

    2017-12-01

    We live within the only known stellar-planetary system that supports life. What we learn about this system is not only relevant to human society and its expanding reach beyond Earth's surface, but also to our understanding of the origins and evolution of life in the universe. Heliophysics is focused on solar-terrestrial interactions mediated by the magnetic and plasma environment surrounding the planet. A defining feature of energy flow through this environment is interaction across physical scales. A solar disturbance aimed at Earth can excite geospace variability on scales ranging from thousands of kilometers (e.g., global convection, region 1 and 2 currents, electrojet intensifications) to 10's of meters (e.g., equatorial spread-F, dispersive Alfven waves, plasma instabilities). Most "geospace observatory" concepts are focused on a single modality (e.g., HF/UHF radar, magnetometer, optical) providing a limited parameter set over a particular spatiotemporal resolution. Data assimilation methods have been developed to couple heterogeneous and distributed observations, but resolution has typically been prescribed a-priori and according to physical assumptions. This paper develops a conceptual framework for the next generation multi-scale heliophysics observatory, capable of revealing and quantifying the complete spectrum of cross-scale interactions occurring globally within the geospace system. The envisioned concept leverages existing assets, enlists citizen scientists, and exploits low-cost access to the geospace environment. Examples are presented where distributed multi-scale observations have resulted in substantial new insight into the inner workings of our stellar-planetary system.

  11. Multiscale analysis of heart rate dynamics: entropy and time irreversibility measures.

    Science.gov (United States)

    Costa, Madalena D; Peng, Chung-Kang; Goldberger, Ary L

    2008-06-01

    Cardiovascular signals are largely analyzed using traditional time and frequency domain measures. However, such measures fail to account for important properties related to multiscale organization and non-equilibrium dynamics. The complementary role of conventional signal analysis methods and emerging multiscale techniques, is, therefore, an important frontier area of investigation. The key finding of this presentation is that two recently developed multiscale computational tools--multiscale entropy and multiscale time irreversibility--are able to extract information from cardiac interbeat interval time series not contained in traditional methods based on mean, variance or Fourier spectrum (two-point correlation) techniques. These new methods, with careful attention to their limitations, may be useful in diagnostics, risk stratification and detection of toxicity of cardiac drugs.

  12. A multiscale numerical algorithm for heat transfer simulation between multidimensional CFD and monodimensional system codes

    Science.gov (United States)

    Chierici, A.; Chirco, L.; Da Vià, R.; Manservisi, S.; Scardovelli, R.

    2017-11-01

    Nowadays the rapidly-increasing computational power allows scientists and engineers to perform numerical simulations of complex systems that can involve many scales and several different physical phenomena. In order to perform such simulations, two main strategies can be adopted: one may develop a new numerical code where all the physical phenomena of interest are modelled or one may couple existing validated codes. With the latter option, the creation of a huge and complex numerical code is avoided but efficient methods for data exchange are required since the performance of the simulation is highly influenced by its coupling techniques. In this work we propose a new algorithm that can be used for volume and/or boundary coupling purposes for both multiscale and multiphysics numerical simulations. The proposed algorithm is used for a multiscale simulation involving several CFD domains and monodimensional loops. We adopt the overlapping domain strategy, so the entire flow domain is simulated with the system code. We correct the system code solution by matching averaged inlet and outlet fields located at the boundaries of the CFD domains that overlap parts of the monodimensional loop. In particular we correct pressure losses and enthalpy values with source-sink terms that are imposed in the system code equations. The 1D-CFD coupling is a defective one since the CFD code requires point-wise values on the coupling interfaces and the system code provides only averaged quantities. In particular we impose, as inlet boundary conditions for the CFD domains, the mass flux and the mean enthalpy that are calculated by the system code. With this method the mass balance is preserved at every time step of the simulation. The coupling between consecutive CFD domains is not a defective one since with the proposed algorithm we can interpolate the field solutions on the boundary interfaces. We use the MED data structure as the base structure where all the field operations are

  13. Multiscale Pressure-Balanced Structures in Three-dimensional Magnetohydrodynamic Turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Liping; Zhang, Lei; Feng, Xueshang [SIGMA Weather Group, State Key Laboratory for Space Weather, National Space Science Center, Chinese Academy of Sciences, 100190, Beijing (China); He, Jiansen; Tu, Chuanyi; Wang, Linghua [School of Earth and Space Sciences, Peking University, 100871 Beijing (China); Li, Shengtai [Theoretical Division, MS B284, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Marsch, Eckart [Institute for Experimental and Applied Physics, Christian Albrechts University at Kiel, D-24118 Kiel (Germany); Wang, Xin, E-mail: jshept@gmail.com [School of Space and Environment, Beihang University, 100191 Beijing (China)

    2017-02-10

    Observations of solar wind turbulence indicate the existence of multiscale pressure-balanced structures (PBSs) in the solar wind. In this work, we conduct a numerical simulation to investigate multiscale PBSs and in particular their formation in compressive magnetohydrodynamic turbulence. By the use of the higher-order Godunov code Athena, a driven compressible turbulence with an imposed uniform guide field is simulated. The simulation results show that both the magnetic pressure and the thermal pressure exhibit a turbulent spectrum with a Kolmogorov-like power law, and that in many regions of the simulation domain they are anticorrelated. The computed wavelet cross-coherence spectra of the magnetic pressure and the thermal pressure, as well as their space series, indicate the existence of multiscale PBSs, with the small PBSs being embedded in the large ones. These multiscale PBSs are likely to be related to the highly oblique-propagating slow-mode waves, as the traced multiscale PBS is found to be traveling in a certain direction at a speed consistent with that predicted theoretically for a slow-mode wave propagating in the same direction.

  14. 2D deblending using the multi-scale shaping scheme

    Science.gov (United States)

    Li, Qun; Ban, Xingan; Gong, Renbin; Li, Jinnuo; Ge, Qiang; Zu, Shaohuan

    2018-01-01

    Deblending can be posed as an inversion problem, which is ill-posed and requires constraint to obtain unique and stable solution. In blended record, signal is coherent, whereas interference is incoherent in some domains (e.g., common receiver domain and common offset domain). Due to the different sparsity, coefficients of signal and interference locate in different curvelet scale domains and have different amplitudes. Take into account the two differences, we propose a 2D multi-scale shaping scheme to constrain the sparsity to separate the blended record. In the domain where signal concentrates, the multi-scale scheme passes all the coefficients representing signal, while, in the domain where interference focuses, the multi-scale scheme suppresses the coefficients representing interference. Because the interference is suppressed evidently at each iteration, the constraint of multi-scale shaping operator in all scale domains are weak to guarantee the convergence of algorithm. We evaluate the performance of the multi-scale shaping scheme and the traditional global shaping scheme by using two synthetic and one field data examples.

  15. Block preconditioners for linear systems arising from multiscale collocation with compactly supported RBFs

    KAUST Repository

    Farrell, Patricio

    2015-04-30

    © 2015John Wiley & Sons, Ltd. Symmetric collocation methods with RBFs allow approximation of the solution of a partial differential equation, even if the right-hand side is only known at scattered data points, without needing to generate a grid. However, the benefit of a guaranteed symmetric positive definite block system comes at a high computational cost. This cost can be alleviated somewhat by considering compactly supported RBFs and a multiscale technique. But the condition number and sparsity will still deteriorate with the number of data points. Therefore, we study certain block diagonal and triangular preconditioners. We investigate ideal preconditioners and determine the spectra of the preconditioned matrices before proposing more practical preconditioners based on a restricted additive Schwarz method with coarse grid correction. Numerical results verify the effectiveness of the preconditioners.

  16. Development of low-pH cementitious materials for HLRW repositories. Resistance against ground waters aggression

    OpenAIRE

    Garcia Calvo, Jose Luis; Hidalgo, A.; Fernandez Luco, L.; Alonso Alonso, Maria Cruz

    2010-01-01

    One of the most accepted engineering construction concepts of underground repositories for high radioactive waste considers the use of low-pH cementitious materials. This paper deals with the design of those based on Ordinary Portland Cements with high contents of silica fume and/or fly ashes that modify most of the concrete “standard” properties, the pore fluid composition and the microstructure of the hydrated products. Their resistance to long-term groundwater aggression is also evaluated....

  17. Bioaccessibility of nutrients and micronutrients from dispersed food systems: impact of the multiscale bulk and interfacial structures.

    Science.gov (United States)

    Marze, Sébastien

    2013-01-01

    Many food systems are dispersed systems, that is, they possess at least two immiscible phases. This is generally due to the coexistence of domains with different physicochemical properties separated by many interfaces which control the apparent thermodynamic equilibrium. This feature was and is still largely studied to design pharmaceutical delivery systems. In food science, the recent intensification of in vitro digestion tests to complement the in vivo ones holds promises in the identification of the key parameters controlling the bioaccessibility of nutrients and micronutrients. In this review, we present the developments of in vitro digestion tests for dispersed food systems (mainly emulsions, dispersions and gels). We especially highlight the evidences detailing the roles of the constituting multiscale structures. In a perspective section, we show the potential of structured interfaces to allow controlled bioaccessibility.

  18. Multiscale modeling and simulation of brain blood flow

    Energy Technology Data Exchange (ETDEWEB)

    Perdikaris, Paris, E-mail: parisp@mit.edu [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Grinberg, Leopold, E-mail: leopoldgrinberg@us.ibm.com [IBM T.J Watson Research Center, 1 Rogers St, Cambridge, Massachusetts 02142 (United States); Karniadakis, George Em, E-mail: george-karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912 (United States)

    2016-02-15

    The aim of this work is to present an overview of recent advances in multi-scale modeling of brain blood flow. In particular, we present some approaches that enable the in silico study of multi-scale and multi-physics phenomena in the cerebral vasculature. We discuss the formulation of continuum and atomistic modeling approaches, present a consistent framework for their concurrent coupling, and list some of the challenges that one needs to overcome in achieving a seamless and scalable integration of heterogeneous numerical solvers. The effectiveness of the proposed framework is demonstrated in a realistic case involving modeling the thrombus formation process taking place on the wall of a patient-specific cerebral aneurysm. This highlights the ability of multi-scale algorithms to resolve important biophysical processes that span several spatial and temporal scales, potentially yielding new insight into the key aspects of brain blood flow in health and disease. Finally, we discuss open questions in multi-scale modeling and emerging topics of future research.

  19. Methods to assess radioisotope migration in cementitious media using radial diffusion and advection

    International Nuclear Information System (INIS)

    Hinchliff, J.; Felipe-Sotero, M.; Evans, N.D.M.; Read, D.; Drury, D.

    2012-01-01

    One of the primary aims of this project is to understand how a range of isotopes associated with radioactive wastes, move through the cementitious media potentially present in a geological disposal facility (GDF). This paper describes the development of experimental methods that use radial flow from intact cylinders of cementitious material to evaluate the potential for diffusion and advection of relevant isotopes through Nirex reference vault backfill (NRVB). The small scale and cost effectiveness of the approach means that multiple experiments can be undertaken encompassing the full range of physical (and chemical) variations. The radial flow experimental method uses small pre-cast cylinders of the matrix under investigation. For diffusion an appropriate concentration of the isotope of interest ( 90 Sr in the present experiments) is introduced into a cavity in the centre of the cylinder, which is then sealed, and placed in a solution previously equilibrated with the matrix. The increase in concentration of the isotope in the external solution is then determined at defined time intervals. For advection 90 Sr is similarly introduced into the central core of the cylinder and then equilibrated water is forced under nitrogen pressure, from the central core to the outside of the cylinder where it is collected in a tray prior to analysis. Both experimental set ups and results have been modelled using conventional numerical solutions and the simulation package GoldSim. Concerning diffusion experiments the modelled data reproduces the observed data effectively with a right diffusivity value of 9*10 -11 m 2 /s. Concerning advection results are more mitigated and need further investigation

  20. Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

    Science.gov (United States)

    Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

    2017-04-01

    This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

  1. Towards practical multiscale approach for analysis of reinforced concrete structures

    Science.gov (United States)

    Moyeda, Arturo; Fish, Jacob

    2017-12-01

    We present a novel multiscale approach for analysis of reinforced concrete structural elements that overcomes two major hurdles in utilization of multiscale technologies in practice: (1) coupling between material and structural scales due to consideration of large representative volume elements (RVE), and (2) computational complexity of solving complex nonlinear multiscale problems. The former is accomplished using a variant of computational continua framework that accounts for sizeable reinforced concrete RVEs by adjusting the location of quadrature points. The latter is accomplished by means of reduced order homogenization customized for structural elements. The proposed multiscale approach has been verified against direct numerical simulations and validated against experimental results.

  2. Multiscale Representations Phase II

    National Research Council Canada - National Science Library

    Bar-Yam, Yaneer

    2004-01-01

    .... Multiscale analysis provides an analytic tool that can be applied to evaluating force capabilities as well as the relevance of designs for technological innovations to support force structures and their modernization...

  3. Multiscale Embedded Gene Co-expression Network Analysis.

    Directory of Open Access Journals (Sweden)

    Won-Min Song

    2015-11-01

    Full Text Available Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3, the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA by: i introducing quality control of co-expression similarities, ii parallelizing embedded network construction, and iii developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs. We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA. MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma.

  4. Multiscale Embedded Gene Co-expression Network Analysis.

    Science.gov (United States)

    Song, Won-Min; Zhang, Bin

    2015-11-01

    Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma.

  5. Multiscale synchrony behaviors of paired financial time series by 3D multi-continuum percolation

    Science.gov (United States)

    Wang, M.; Wang, J.; Wang, B. T.

    2018-02-01

    Multiscale synchrony behaviors and nonlinear dynamics of paired financial time series are investigated, in an attempt to study the cross correlation relationships between two stock markets. A random stock price model is developed by a new system called three-dimensional (3D) multi-continuum percolation system, which is utilized to imitate the formation mechanism of price dynamics and explain the nonlinear behaviors found in financial time series. We assume that the price fluctuations are caused by the spread of investment information. The cluster of 3D multi-continuum percolation represents the cluster of investors who share the same investment attitude. In this paper, we focus on the paired return series, the paired volatility series, and the paired intrinsic mode functions which are decomposed by empirical mode decomposition. A new cross recurrence quantification analysis is put forward, combining with multiscale cross-sample entropy, to investigate the multiscale synchrony of these paired series from the proposed model. The corresponding research is also carried out for two China stock markets as comparison.

  6. Approaches to control the quality of cementitious PFA grouts for nuclear waste encapsulation

    Energy Technology Data Exchange (ETDEWEB)

    Rice, G.; Miles, N.; Farris, S. [University of Nottingham, Nottingham (United Kingdom). Nottingham Mining & Minerals Centre

    2007-05-15

    Pulverised Fuel Ash (PFA) is combined with Ordinary Portland Cement (OPC) powder and water to form cementitious grouts for use in various aspects of nuclear waste encapsulation. Whilst specific PFA supplies in the United Kingdom currently deliver adequate grout performance it is also clear that some alternative supplies result in inferior performance, leading to concern over the long term availability of suitable raw material. This paper presents the results of an investigation into the characteristics of PFA that affect critical aspects of grout performance and identifies strategies that could be used to ensure high quality PFA supplies in the future.

  7. Experimental Study on Fibre-reinforced Cementitious Matrix Confined Concrete Columns under Axial Compression

    Directory of Open Access Journals (Sweden)

    Lan Zeng

    2017-03-01

    Full Text Available Poor fire resistance of fibre-reinforced polymer (FRP restricts its further application in construction structures. In this paper, a novel fibre-reinforced cementitious matrix confined concrete column (FRCMCC using fireproof grout as the fibre matrix was developed, and experiments were conducted to establish its performance and analyse the mechanical properties under axial compression. The test results show that its failure mode was more moderate compared to the traditional fibre-reinforced resinous matrix confined concrete column (FRRMCC, and the concrete columns confined with multi-layer fibres and end reinforcement could provide both good strength and ductility.

  8. Studies of ancient concrete as analogs of cementitious sealing materials for a repository in tuff

    Energy Technology Data Exchange (ETDEWEB)

    Roy, D.M.; Langton, C.A.

    1989-03-01

    The durability of ancient cementitious materials has been investigated to provide data applicable to determining the resistance to weathering of concrete materials for sealing a repository for storage of high-level radioactive waste. Because tuff and volcanic ash are used in the concretes in the vicinity of Rome, the results are especially applicable to a waste repository in tuff. Ancient mortars, plasters, and concretes collected from Rome, Ostia, and Cosa dating to the third century BC show remarkable durability. The aggregates used in the mortars, plasters, and concretes included basic volcanic and pyroclastic rocks (including tuff), terra-cotta, carbonates, sands, and volcanic ash. The matrices of ancient cementitious materials have been characterized and classified into four categories: (1) hydraulic hydrated lime and hydrated lime cements, (2) hydraulic aluminous and ferruginous hydrated lime cements ({plus_minus} siliceous components), (3) pozzolana/hydrated lime cements, and (4) gypsum cements. Most of the materials investigated are in category (3). The materials were characterized to elucidate aspects of the technology that produced them and their response to the environmental exposure throughout their centuries of existence. Their remarkable properties are the result of a combination of chemical, mineralogical, and microstructural factors. Their durability was found to be affected by the matrix mineralogy, particle size, and porosity; aggregate type, grading and proportioning; and the methodology of placement. 30 refs.

  9. Obtaining cementitious material from municipal solid waste

    Directory of Open Access Journals (Sweden)

    Macías, A.

    2007-06-01

    Full Text Available The primary purpose of the present study was to determine the viability of using incinerator ash and slag from municipal solid waste as a secondary source of cementitious materials. The combustion products used were taken from two types of Spanish MSW incinerators, one located at Valdemingómez, in Madrid, and the other in Melilla, with different incineration systems: one with fluidised bed combustion and other with mass burn waterwall. The effect of temperature (from 800 to 1,200 ºC on washed and unwashed incinerator residue was studied, in particular with regard to phase formation in washed products with a high NaCl and KCl content. The solid phases obtained were characterized by X-ray diffraction and BET-N2 specific surface procedures.El principal objetivo del trabajo ha sido determinar la viabilidad del uso de las cenizas y escorias procedentes de la incineración de residuos sólidos urbanos, como materia prima secundaria para la obtención de fases cementantes. Para ello se han empleado los residuos generados en dos tipos de incineradoras españolas de residuos sólidos urbanos: la incineradora de Valdemingómez y la incineradora de Melilla. Se ha estudiado la transformación de los residuos, sin tratamiento previo, en función de la temperatura de calentamiento (desde 800 ºC hasta 1.200 ºC, así como la influencia del lavado de los residuos con alto contenido en NaCl y KCl en la formación de fases obtenidas a las diferentes temperaturas de calcinación. Las fases obtenidas fueron caracterizadas por difracción de rayos X y área superficial por el método BET-N2.

  10. Multi-scale salient feature extraction on mesh models

    KAUST Repository

    Yang, Yongliang; Shen, ChaoHui

    2012-01-01

    We present a new method of extracting multi-scale salient features on meshes. It is based on robust estimation of curvature on multiple scales. The coincidence between salient feature and the scale of interest can be established straightforwardly, where detailed feature appears on small scale and feature with more global shape information shows up on large scale. We demonstrate this multi-scale description of features accords with human perception and can be further used for several applications as feature classification and viewpoint selection. Experiments exhibit that our method as a multi-scale analysis tool is very helpful for studying 3D shapes. © 2012 Springer-Verlag.

  11. Study on high density multi-scale calculation technique

    International Nuclear Information System (INIS)

    Sekiguchi, S.; Tanaka, Y.; Nakada, H.; Nishikawa, T.; Yamamoto, N.; Yokokawa, M.

    2004-01-01

    To understand degradation of nuclear materials under irradiation, it is essential to know as much about each phenomenon observed from multi-scale points of view; they are micro-scale in atomic-level, macro-level in structural scale and intermediate level. In this study for application to meso-scale materials (100A ∼ 2μm), computer technology approaching from micro- and macro-scales was developed including modeling and computer application using computational science and technology method. And environmental condition of grid technology for multi-scale calculation was prepared. The software and MD (molecular dynamics) stencil for verifying the multi-scale calculation were improved and their movement was confirmed. (A. Hishinuma)

  12. Adaptive multiscale processing for contrast enhancement

    Science.gov (United States)

    Laine, Andrew F.; Song, Shuwu; Fan, Jian; Huda, Walter; Honeyman, Janice C.; Steinbach, Barbara G.

    1993-07-01

    This paper introduces a novel approach for accomplishing mammographic feature analysis through overcomplete multiresolution representations. We show that efficient representations may be identified from digital mammograms within a continuum of scale space and used to enhance features of importance to mammography. Choosing analyzing functions that are well localized in both space and frequency, results in a powerful methodology for image analysis. We describe methods of contrast enhancement based on two overcomplete (redundant) multiscale representations: (1) Dyadic wavelet transform (2) (phi) -transform. Mammograms are reconstructed from transform coefficients modified at one or more levels by non-linear, logarithmic and constant scale-space weight functions. Multiscale edges identified within distinct levels of transform space provide a local support for enhancement throughout each decomposition. We demonstrate that features extracted from wavelet spaces can provide an adaptive mechanism for accomplishing local contrast enhancement. We suggest that multiscale detection and local enhancement of singularities may be effectively employed for the visualization of breast pathology without excessive noise amplification.

  13. New methods to quantify the cracking performance of cementitious systems made with internal curing

    Science.gov (United States)

    Schlitter, John L.

    The use of high performance concretes that utilize low water-cement ratios have been promoted for use in infrastructure based on their potential to increase durability and service life because they are stronger and less porous. Unfortunately, these benefits are not always realized due to the susceptibility of high performance concrete to undergo early age cracking caused by shrinkage. This problem is widespread and effects federal, state, and local budgets that must maintain or replace deterioration caused by cracking. As a result, methods to reduce or eliminate early age shrinkage cracking have been investigated. Internal curing is one such method in which a prewetted lightweight sand is incorporated into the concrete mixture to provide internal water as the concrete cures. This action can significantly reduce or eliminate shrinkage and in some cases causes a beneficial early age expansion. Standard laboratory tests have been developed to quantify the shrinkage cracking potential of concrete. Unfortunately, many of these tests may not be appropriate for use with internally cured mixtures and only provide limited amounts of information. Most standard tests are not designed to capture the expansive behavior of internally cured mixtures. This thesis describes the design and implementation of two new testing devices that overcome the limitations of current standards. The first device discussed in this thesis is called the dual ring. The dual ring is a testing device that quantifies the early age restrained shrinkage performance of cementitious mixtures. The design of the dual ring is based on the current ASTM C 1581-04 standard test which utilizes one steel ring to restrain a cementitious specimen. The dual ring overcomes two important limitations of the standard test. First, the standard single ring test cannot restrain the expansion that takes place at early ages which is not representative of field conditions. The dual ring incorporates a second restraining ring

  14. A Multiscale Model for Virus Capsid Dynamics

    Directory of Open Access Journals (Sweden)

    Changjun Chen

    2010-01-01

    Full Text Available Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows.

  15. A multiscale model for virus capsid dynamics.

    Science.gov (United States)

    Chen, Changjun; Saxena, Rishu; Wei, Guo-Wei

    2010-01-01

    Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows.

  16. Toward the multiscale nature of stress corrosion cracking

    Directory of Open Access Journals (Sweden)

    Xiaolong Liu

    2018-02-01

    Full Text Available This article reviews the multiscale nature of stress corrosion cracking (SCC observed by high-resolution characterizations in austenite stainless steels and Ni-base superalloys in light water reactors (including boiling water reactors, pressurized water reactors, and supercritical water reactors with related opinions. A new statistical summary and comparison of observed degradation phenomena at different length scales is included. The intrinsic causes of this multiscale nature of SCC are discussed based on existing evidence and related opinions, ranging from materials theory to practical processing technologies. Questions of interest are then discussed to improve bottom-up understanding of the intrinsic causes. Last, a multiscale modeling and simulation methodology is proposed as a promising interdisciplinary solution to understand the intrinsic causes of the multiscale nature of SCC in light water reactors, based on a review of related supporting application evidence.

  17. Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

    Science.gov (United States)

    Liu, Xuan; Furrer, David; Kosters, Jared; Holmes, Jack

    2018-01-01

    Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost

  18. Bioreceptivity evaluation of cementitious materials designed to stimulate biological growth.

    Science.gov (United States)

    Manso, Sandra; De Muynck, Willem; Segura, Ignacio; Aguado, Antonio; Steppe, Kathy; Boon, Nico; De Belie, Nele

    2014-05-15

    Ordinary Portland cement (OPC), the most used binder in construction, presents some disadvantages in terms of pollution (CO2 emissions) and visual impact. For this reason, green roofs and façades have gain considerable attention in the last decade as a way to integrate nature in cities. These systems, however, suffer from high initial and maintenance costs. An alternative strategy to obtain green facades is the direct natural colonisation of the cementitious construction materials constituting the wall, a phenomenon governed by the bioreceptivity of such material. This work aims at assessing the suitability of magnesium phosphate cement (MPC) materials to allow a rapid natural colonisation taking carbonated OPC samples as a reference material. For that, the aggregate size, the w/c ratio and the amount of cement paste of mortars made of both binders were modified. The assessment of the different bioreceptivities was conducted by means of an accelerated algal fouling test. MPC samples exhibited a faster fouling compared to OPC samples, which could be mainly attributed to the lower pH of the MPC binder. In addition to the binder, the fouling rate was governed by the roughness and the porosity of the material. MPC mortar with moderate porosity and roughness appears to be the most feasible material to be used for the development of green concrete walls. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Multiscale geometric modeling of macromolecules I: Cartesian representation

    Science.gov (United States)

    Xia, Kelin; Feng, Xin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

    2014-01-01

    This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) representation. Molecular surface (MS) contains non-smooth geometric singularities, such as cusps, tips and self-intersecting facets, which often lead to computational instabilities in molecular simulations, and violate the physical principle of surface free energy minimization. Variational multiscale surface definitions are proposed based on geometric flows and solvation analysis of biomolecular systems. Our approach leads to geometric and potential driven Laplace-Beltrami flows for biomolecular surface evolution and formation. The resulting surfaces are free of geometric singularities and minimize the total free energy of the biomolecular system. High order partial differential equation (PDE)-based nonlinear filters are employed for EMDB data processing. We show the efficacy of this approach in feature-preserving noise reduction. After the construction of protein multiresolution surfaces, we explore the analysis and characterization of surface morphology by using a variety of curvature definitions. Apart from the classical Gaussian curvature and mean curvature, maximum curvature, minimum curvature, shape index, and curvedness are also applied to macromolecular surface analysis for the first time. Our curvature analysis is uniquely coupled to the analysis of electrostatic surface potential, which is a by-product of our variational multiscale solvation models. As an expository investigation, we particularly emphasize the numerical algorithms and computational protocols for practical applications of the above multiscale geometric models. Such information may otherwise be scattered over the vast literature on this topic. Based on the curvature and electrostatic analysis from our multiresolution surfaces, we introduce a new concept, the

  20. Multiscale geometric modeling of macromolecules I: Cartesian representation

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Kelin [Department of Mathematics, Michigan State University, MI 48824 (United States); Feng, Xin [Department of Computer Science and Engineering, Michigan State University, MI 48824 (United States); Chen, Zhan [Department of Mathematics, Michigan State University, MI 48824 (United States); Tong, Yiying [Department of Computer Science and Engineering, Michigan State University, MI 48824 (United States); Wei, Guo-Wei, E-mail: wei@math.msu.edu [Department of Mathematics, Michigan State University, MI 48824 (United States); Department of Biochemistry and Molecular Biology, Michigan State University, MI 48824 (United States)

    2014-01-15

    This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) representation. Molecular surface (MS) contains non-smooth geometric singularities, such as cusps, tips and self-intersecting facets, which often lead to computational instabilities in molecular simulations, and violate the physical principle of surface free energy minimization. Variational multiscale surface definitions are proposed based on geometric flows and solvation analysis of biomolecular systems. Our approach leads to geometric and potential driven Laplace–Beltrami flows for biomolecular surface evolution and formation. The resulting surfaces are free of geometric singularities and minimize the total free energy of the biomolecular system. High order partial differential equation (PDE)-based nonlinear filters are employed for EMDB data processing. We show the efficacy of this approach in feature-preserving noise reduction. After the construction of protein multiresolution surfaces, we explore the analysis and characterization of surface morphology by using a variety of curvature definitions. Apart from the classical Gaussian curvature and mean curvature, maximum curvature, minimum curvature, shape index, and curvedness are also applied to macromolecular surface analysis for the first time. Our curvature analysis is uniquely coupled to the analysis of electrostatic surface potential, which is a by-product of our variational multiscale solvation models. As an expository investigation, we particularly emphasize the numerical algorithms and computational protocols for practical applications of the above multiscale geometric models. Such information may otherwise be scattered over the vast literature on this topic. Based on the curvature and electrostatic analysis from our multiresolution surfaces, we introduce a new concept, the

  1. Nano-modification to improve the ductility of cementitious composites

    International Nuclear Information System (INIS)

    Yeşilmen, Seda; Al-Najjar, Yazin; Balav, Mohammad Hatam; Şahmaran, Mustafa; Yıldırım, Gürkan; Lachemi, Mohamed

    2015-01-01

    Effect of nano-sized mineral additions on ductility of engineered cementitious composites (ECC) containing high volumes of fly ash was investigated at different hydration degrees. Various properties of ECC mixtures with different mineral additions were compared in terms of microstructural properties of matrix, fiber-matrix interface, and fiber surface to assess improvements in ductility. Microstructural characterization was made by measuring pore size distributions through mercury intrusion porosimetry (MIP). Hydration characteristics were assessed using thermogravimetric analysis/differential thermal analysis (TGA/DTA), and fiber-matrix interface and fiber surface characteristics were assessed using scanning electron microscopy (SEM) through a period of 90 days. Moreover, compressive and flexural strength developments were monitored for the same period. Test results confirmed that mineral additions could significantly improve both flexural strength and ductility of ECC, especially at early ages. Cheaper Nano-CaCO 3 was more effective compared to nano-silica. However, the crystal structure of CaCO 3 played a very important role in the range of expected improvements

  2. Time-Varying, Multi-Scale Adaptive System Reliability Analysis of Lifeline Infrastructure Networks

    Energy Technology Data Exchange (ETDEWEB)

    Gearhart, Jared Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kurtz, Nolan Scot [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-09-01

    The majority of current societal and economic needs world-wide are met by the existing networked, civil infrastructure. Because the cost of managing such infrastructure is high and increases with time, risk-informed decision making is essential for those with management responsibilities for these systems. To address such concerns, a methodology that accounts for new information, deterioration, component models, component importance, group importance, network reliability, hierarchical structure organization, and efficiency concerns has been developed. This methodology analyzes the use of new information through the lens of adaptive Importance Sampling for structural reliability problems. Deterioration, multi-scale bridge models, and time-variant component importance are investigated for a specific network. Furthermore, both bridge and pipeline networks are studied for group and component importance, as well as for hierarchical structures in the context of specific networks. Efficiency is the primary driver throughout this study. With this risk-informed approach, those responsible for management can address deteriorating infrastructure networks in an organized manner.

  3. Peridynamic Multiscale Finite Element Methods

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Timothy [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bond, Stephen D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Littlewood, David John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Moore, Stan Gerald [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-12-01

    The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic and local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the

  4. Generalization Performance of Regularized Ranking With Multiscale Kernels.

    Science.gov (United States)

    Zhou, Yicong; Chen, Hong; Lan, Rushi; Pan, Zhibin

    2016-05-01

    The regularized kernel method for the ranking problem has attracted increasing attentions in machine learning. The previous regularized ranking algorithms are usually based on reproducing kernel Hilbert spaces with a single kernel. In this paper, we go beyond this framework by investigating the generalization performance of the regularized ranking with multiscale kernels. A novel ranking algorithm with multiscale kernels is proposed and its representer theorem is proved. We establish the upper bound of the generalization error in terms of the complexity of hypothesis spaces. It shows that the multiscale ranking algorithm can achieve satisfactory learning rates under mild conditions. Experiments demonstrate the effectiveness of the proposed method for drug discovery and recommendation tasks.

  5. Multiscale simulations of anisotropic particles combining molecular dynamics and Green's function reaction dynamics

    Science.gov (United States)

    Vijaykumar, Adithya; Ouldridge, Thomas E.; ten Wolde, Pieter Rein; Bolhuis, Peter G.

    2017-03-01

    The modeling of complex reaction-diffusion processes in, for instance, cellular biochemical networks or self-assembling soft matter can be tremendously sped up by employing a multiscale algorithm which combines the mesoscopic Green's Function Reaction Dynamics (GFRD) method with explicit stochastic Brownian, Langevin, or deterministic molecular dynamics to treat reactants at the microscopic scale [A. Vijaykumar, P. G. Bolhuis, and P. R. ten Wolde, J. Chem. Phys. 143, 214102 (2015)]. Here we extend this multiscale MD-GFRD approach to include the orientational dynamics that is crucial to describe the anisotropic interactions often prevalent in biomolecular systems. We present the novel algorithm focusing on Brownian dynamics only, although the methodology is generic. We illustrate the novel algorithm using a simple patchy particle model. After validation of the algorithm, we discuss its performance. The rotational Brownian dynamics MD-GFRD multiscale method will open up the possibility for large scale simulations of protein signalling networks.

  6. Algorithmic foundation of multi-scale spatial representation

    CERN Document Server

    Li, Zhilin

    2006-01-01

    With the widespread use of GIS, multi-scale representation has become an important issue in the realm of spatial data handling. However, no book to date has systematically tackled the different aspects of this discipline. Emphasizing map generalization, Algorithmic Foundation of Multi-Scale Spatial Representation addresses the mathematical basis of multi-scale representation, specifically, the algorithmic foundation.Using easy-to-understand language, the author focuses on geometric transformations, with each chapter surveying a particular spatial feature. After an introduction to the essential operations required for geometric transformations as well as some mathematical and theoretical background, the book describes algorithms for a class of point features/clusters. It then examines algorithms for individual line features, such as the reduction of data points, smoothing (filtering), and scale-driven generalization, followed by a discussion of algorithms for a class of line features including contours, hydrog...

  7. Impact of cementitious materials decalcification on transfer properties: application to radioactive waste deep repository; Influence de la decalcification de materiaux cimentaires sur les proprietes de transfert: application au stockage profond de dechets radioactifs

    Energy Technology Data Exchange (ETDEWEB)

    Perlot, C

    2005-09-15

    Cementitious materials have been selected to compose the engineering barrier system (EBS) of the French radioactive waste deep repository, because of concrete physico-chemical properties: the hydrates of the cementitious matrix and the pH of the pore solution contribute to radionuclides retention; furthermore the compactness of these materials limits elements transport. The confinement capacity of the system has to be assessed while a period at least equivalent to waste activity (up to 100.000 years). His durability was sustained by the evolution of transfer properties in accordance with cementitious materials decalcification, alteration that expresses structure long-term behavior. Then, two degradation modes were carried out, taking into account the different physical and chemical solicitations imposed by the host formation. The first mode, a static one, was an accelerated decalcification test using nitrate ammonium solution. It replicates the EBS alteration dues to underground water. Degradation kinetic was estimated by the amount of calcium leached and the measurement of the calcium hydroxide dissolution front. To evaluate the decalcification impact, samples were characterized before and after degradation in term of microstructure (porosity, pores size distribution) and of transfer properties (diffusivity, gas and water permeability). The influence of cement nature (ordinary Portland cement, blended cement) and aggregates type (lime or siliceous) was observed: experiments were repeated on different mortars mixes. On this occasion, an essential reflection on this test metrology was led. The second mode, a dynamical degradation, was performed with an environmental permeameter. It recreates the EBS solicitations ensured during the re-saturation period, distinguished by the hydraulic pressure imposed by the geologic layer and the waste exothermicity. This apparatus, based on triaxial cell functioning, allows applying on samples pressure drop between 2 and 10 MPa and

  8. PARTNERSHIP FOR THE DEVELOPMENT OF NEXT GENERATION SIMULATION TOOLS TO EVALUATE CEMENTITIOUS BARRIERS AND MATERIALS USED IN NUCLEAR APPLICATION - 8388

    International Nuclear Information System (INIS)

    Langton, C; Richard Dimenna, R

    2008-01-01

    The US DOE has initiated a multidisciplinary cross cutting project to develop a reasonable and credible set of tools to predict the structural, hydraulic and chemical performance of cement barriers used in nuclear applications over extended time frames (e.g., > 100 years for operating facilities and > 1000 years for waste management). A partnership that combines DOE, NRC, academia, private sector, and international expertise has been formed to accomplish the project objectives by integrating existing information and realizing advancements where necessary. The set of simulation tools and data developed under this project will be used to evaluate and predict the behavior of cementitious barriers used in near surface engineered waste disposal systems, e.g., waste forms, containment structures, entombments and environmental remediation, including decontamination and decommissioning (D and D) activities. The simulation tools will also support analysis of structural concrete components of nuclear facilities (spent fuel pools, dry spent fuel storage units, and recycling facilities, e.g., fuel fabrication, separations processes). Simulation parameters will be obtained from prior literature and will be experimentally measured under this project, as necessary, to demonstrate application of the simulation tools for three prototype applications (waste form in concrete vault, high level waste tank grouting, and spent fuel pool). Test methods and data needs to support use of the simulation tools for future applications will be defined. This is a national issue that affects all waste disposal sites that use cementitious waste forms and structures, decontamination and decommissioning activities, service life determination of existing structures, and design of future public and private nuclear facilities. The problem is difficult because it requires projecting conditions and responses over extremely long times. Current performance assessment analyses show that engineered barriers

  9. Conformal-Based Surface Morphing and Multi-Scale Representation

    Directory of Open Access Journals (Sweden)

    Ka Chun Lam

    2014-05-01

    Full Text Available This paper presents two algorithms, based on conformal geometry, for the multi-scale representations of geometric shapes and surface morphing. A multi-scale surface representation aims to describe a 3D shape at different levels of geometric detail, which allows analyzing or editing surfaces at the global or local scales effectively. Surface morphing refers to the process of interpolating between two geometric shapes, which has been widely applied to estimate or analyze deformations in computer graphics, computer vision and medical imaging. In this work, we propose two geometric models for surface morphing and multi-scale representation for 3D surfaces. The basic idea is to represent a 3D surface by its mean curvature function, H, and conformal factor function λ, which uniquely determine the geometry of the surface according to Riemann surface theory. Once we have the (λ, H parameterization of the surface, post-processing of the surface can be done directly on the conformal parameter domain. In particular, the problem of multi-scale representations of shapes can be reduced to the signal filtering on the λ and H parameters. On the other hand, the surface morphing problem can be transformed to an interpolation process of two sets of (λ, H parameters. We test the proposed algorithms on 3D human face data and MRI-derived brain surfaces. Experimental results show that our proposed methods can effectively obtain multi-scale surface representations and give natural surface morphing results.

  10. The Evaluation of Material Properties of Low-pH Cement Grout for the Application of Cementitious Materials to Deep Radioactive Waste Repository Tunnels

    International Nuclear Information System (INIS)

    Kim, Jin Seop; Kwon, S. K.; Cho, W. J.; Kim, G. W.

    2009-12-01

    Considering the current construction technology and research status of deep repository tunnels for radioactive waste disposal, it is inevitable to use cementitious materials in spite of serious concern about their long-term environmental stability. Thus, it is an emerging task to develop low pH cementitious materials. This study reviews the state of the technology on low pH cements developed in Sweden, Switzerland, France, and Japan as well as in Finland which is constructing a real deep repository site for high-level radioactive waste disposal. Considering the physical and chemical stability of bentonite which acts as a buffer material, a low pH cement limits to pH ≤11 and pozzolan-type admixtures are used to lower the pH of cement. To attain this pH requirement, silica fume, which is one of the most promising admixtures, should occupy at least 40 wt% of total dry materials in cement and the Ca/Si ratio should be maintained below 0.8 in cement. Additionally, selective super-plasticizer needs to be used because a high amount of water is demanded from the use of a large amount of silica fume. In this report, the state of the technology on application of cementitious materials to deep repository tunnels for radioactive waste disposal was analysed. And the material properties of low-pH and high-pH cement grouts were evaluated base on the grout recipes of ONKALO in Finlan

  11. Nonlinear dynamics of the complex multi-scale network

    Science.gov (United States)

    Makarov, Vladimir V.; Kirsanov, Daniil; Goremyko, Mikhail; Andreev, Andrey; Hramov, Alexander E.

    2018-04-01

    In this paper, we study the complex multi-scale network of nonlocally coupled oscillators for the appearance of chimera states. Chimera is a special state in which, in addition to the asynchronous cluster, there are also completely synchronous parts in the system. We show that the increase of nodes in subgroups leads to the destruction of the synchronous interaction within the common ring and to the narrowing of the chimera region.

  12. Multiscale computer modeling in biomechanics and biomedical engineering

    CERN Document Server

    2013-01-01

    This book reviews the state-of-the-art in multiscale computer modeling, in terms of both accomplishments and challenges. The information in the book is particularly useful for biomedical engineers, medical physicists and researchers in systems biology, mathematical biology, micro-biomechanics and biomaterials who are interested in how to bridge between traditional biomedical engineering work at the organ and tissue scales, and the newer arenas of cellular and molecular bioengineering.

  13. Technical performance of cementitious grouting materials for ONKALO. Laboratory tests 2006

    International Nuclear Information System (INIS)

    Raivio, P.; Hansen, J.

    2007-09-01

    During 2006 the development of high and low-pH cementitious grouts for fractures > 100 μm designed for the ONKALO rock was continued within the LPHTEK/IMAproject. The main focus in laboratory was to study high pH micro cement grouts. The low pH (≥ 11.0) of the cementitious grout material is required in deep repository as natural pH plume deriving from pure cement paste is very high and moves via ground water circulation in bedrock. This may be deleterious to the protective covers of nuclear waste. The objective to study high pH grouts in laboratory was to optimise their composition and to get preliminary test results. Low pH grouts based on Portland cement + micro silica were also studied further in laboratory to understand their behaviour more thoroughly in different conditions and due to quality changes in materials and to compare the laboratory results with the field results. Alternative fine-grained glass material was briefly studied to replace silica in low pH grout. Low and high pH rock bolt mortars were also developed and tested to get the preliminary test results. The results of the 2006 laboratory work are presented in this report. The high pH micro cement mix U1 with no silica, mix 5/5 with moderate silica and low pH mix P308B rich in silica show generally good properties at fresh and hardening stage at +12 deg C. Lower temperature gives weaker strength build-up with all the mixes and weakens especially the Marsh fluidity and penetration ability of the mixes 5/5 and P308B as bulk density rises a little at lower temperature. Cement quality variation and insufficient mixing may also weaken the properties of all mixes. Deformation of the hardened mixes was observed in laboratory tests. This may weaken their durability if cracks are formed in the grouts at later ages and need to be studied more thoroughly. (orig.)

  14. Analysis of crude oil markets with improved multiscale weighted permutation entropy

    Science.gov (United States)

    Niu, Hongli; Wang, Jun; Liu, Cheng

    2018-03-01

    Entropy measures are recently extensively used to study the complexity property in nonlinear systems. Weighted permutation entropy (WPE) can overcome the ignorance of the amplitude information of time series compared with PE and shows a distinctive ability to extract complexity information from data having abrupt changes in magnitude. Improved (or sometimes called composite) multi-scale (MS) method possesses the advantage of reducing errors and improving the accuracy when applied to evaluate multiscale entropy values of not enough long time series. In this paper, we combine the merits of WPE and improved MS to propose the improved multiscale weighted permutation entropy (IMWPE) method for complexity investigation of a time series. Then it is validated effective through artificial data: white noise and 1 / f noise, and real market data of Brent and Daqing crude oil. Meanwhile, the complexity properties of crude oil markets are explored respectively of return series, volatility series with multiple exponents and EEMD-produced intrinsic mode functions (IMFs) which represent different frequency components of return series. Moreover, the instantaneous amplitude and frequency of Brent and Daqing crude oil are analyzed by the Hilbert transform utilized to each IMF.

  15. Multi-scale Material Parameter Identification Using LS-DYNA® and LS-OPT®

    Energy Technology Data Exchange (ETDEWEB)

    Stander, Nielen; Basudhar, Anirban; Basu, Ushnish; Gandikota, Imtiaz; Savic, Vesna; Sun, Xin; Choi, Kyoo Sil; Hu, Xiaohua; Pourboghrat, F.; Park, Taejoon; Mapar, Aboozar; Kumar, Shavan; Ghassemi-Armaki, Hassan; Abu-Farha, Fadi

    2015-09-14

    Test Ban Treaty of 1996 which banned surface testing of nuclear devices [1]. This had the effect that experimental work was reduced from large scale tests to multiscale experiments to provide material models with validation at different length scales. In the subsequent years industry realized that multi-scale modeling and simulation-based design were transferable to the design optimization of any structural system. Horstemeyer [1] lists a number of advantages of the use of multiscale modeling. Among these are: the reduction of product development time by alleviating costly trial-and-error iterations as well as the reduction of product costs through innovations in material, product and process designs. Multi-scale modeling can reduce the number of costly large scale experiments and can increase product quality by providing more accurate predictions. Research tends to be focussed on each particular length scale, which enhances accuracy in the long term. This paper serves as an introduction to the LS-OPT and LS-DYNA methodology for multi-scale modeling. It mainly focuses on an approach to integrate material identification using material models of different length scales. As an example, a multi-scale material identification strategy, consisting of a Crystal Plasticity (CP) material model and a homogenized State Variable (SV) model, is discussed and the parameter identification of the individual material models of different length scales is demonstrated. The paper concludes with thoughts on integrating the multi-scale methodology into the overall vehicle design.

  16. A multiscale quantum mechanics/electromagnetics method for device simulations.

    Science.gov (United States)

    Yam, ChiYung; Meng, Lingyi; Zhang, Yu; Chen, GuanHua

    2015-04-07

    Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics. In the quantum mechanics/electromagnetics (QM/EM) method, the regions of the system where active electron scattering processes take place are treated quantum mechanically, while the surroundings are described by Maxwell's equations and a semiclassical drift-diffusion model. The QM model and the EM model are solved, respectively, in different regions of the system in a self-consistent manner. Potential distributions and current densities at the interface between QM and EM regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. The method is illustrated in the simulation of several realistic systems. In the case of junctionless field-effect transistors, transfer characteristics are obtained and a good agreement between experiments and simulations is achieved. Optical properties of a tandem photovoltaic cell are studied and the simulations demonstrate that multiple QM regions are coupled through the classical EM model. Finally, the study of a carbon nanotube-based molecular device shows the accuracy and efficiency of the QM/EM method.

  17. Influence of supplementary cementitious materials on the properties of concrete for secondary protection barrier in radioactive waste repositories

    Czech Academy of Sciences Publication Activity Database

    Koťátková, J.; Čáchová, M.; Bezdička, Petr; Vejmelková, E.; Konvalinka, P.; Zemanová, L.; Černý, R.

    2018-01-01

    Roč. 760, SI (2018), s. 96-101 ISSN 1662-9795. [Special Concrete and Composites 2017 /14./. Lísek, 10.10.2017-11.10.2017] R&D Projects: GA ČR(CZ) GA17-11635S Institutional support: RVO:61388980 Keywords : Basic physical properties * Mechanical properties * Repository * Secondary protection barrier * Supplementary cementitious materials * Thermal properties Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry

  18. Coupled hygrothermal, electrochemical, and mechanical modelling for deterioration prediction in reinforced cementitious materials

    DEFF Research Database (Denmark)

    Michel, Alexander; Geiker, Mette Rica; Lepech, M.

    2017-01-01

    In this paper a coupled hygrothermal, electrochemical, and mechanical modelling approach for the deterioration prediction in cementitious materials is briefly outlined. Deterioration prediction is thereby based on coupled modelling of (i) chemical processes including among others transport of hea......, i.e. information, such as such as corrosion current density, damage state of concrete cover, etc., are constantly exchanged between the models....... and matter as well as phase assemblage on the nano and micro scale, (ii) corrosion of steel including electrochemical processes at the reinforcement surface, and (iii) material performance including corrosion- and load-induced damages on the meso and macro scale. The individual FEM models are fully coupled...

  19. Mechanical behavior of cementitious composites with processed sugar cane bagasse ashes

    International Nuclear Information System (INIS)

    Bezerra, Augusto C.S.; Saraiva, Sergio L.C.; Sena, Natalia O.; Pereira, Gabriela M.; Rodrigues, Conrado S.; Ferreira, Maria C.N.F.; Castro, Laurenn W.A.; Silva, Marcos V.M.S.; Gomes, Romero C.; Aguilar, Maria T.P.

    2014-01-01

    Sugar cane bagasse is waste from the sugar and ethanol industry and is primarily intended for burning in boilers to generate energy. As waste from the cogeneration of energy, sugar cane bagasse ashes (SCBA) are produced with no honorable destination. This paper studies the use of SCBA to partially replace Portland cement in producing cementitious composites. The ashes were processed by reburning and grinding, and after processing were characterized by a scanning electron microscope, x-ray diffraction, laser granulometry, and x-ray fluorescence spectrometry. After characterization, cement compounds were fashioned, replacing 0, 10, 20 and 30% of the cement with SCBA. The composites were mechanically evaluated by means of compression strength tests, tensile strength tests by bending. The results proved significant, indicating the possible use of SCBA when added to the cement on manufacture. (author)

  20. Development of low-pH cementitious materials for HLRW repositories

    International Nuclear Information System (INIS)

    Garcia Calvo, J.L.; Hidalgo, A.; Alonso, C.; Fernandez Luco, L.

    2010-01-01

    One of the most accepted engineering construction concepts of underground repositories for high radioactive waste considers the use of low-pH cementitious materials. This paper deals with the design of those based on Ordinary Portland Cements with high contents of silica fume and/or fly ashes that modify most of the concrete 'standard' properties, the pore fluid composition and the microstructure of the hydrated products. Their resistance to long-term groundwater aggression is also evaluated. The results show that the use of OPC cement binders with high silica content produces low-pH pore waters and the microstructure of these cement pastes is different from the conventional OPC ones, generating C-S-H gels with lower CaO/SiO 2 ratios that possibly bind alkali ions. Leaching tests show a good resistance of low-pH concretes against groundwater aggression although an altered front can be observed.

  1. Finding Multi-scale Connectivity in Our Geospace Observational System: A New Perspective for Total Electron Content Data Through Network Analysis

    Science.gov (United States)

    McGranaghan, R. M.; Mannucci, A. J.; Verkhoglyadova, O. P.; Malik, N.

    2017-12-01

    How do we evolve beyond current traditional methods in order to innovate into the future? In what disruptive innovations will the next frontier of space physics and aeronomy (SPA) be grounded? We believe the answer to these compelling, yet equally challenging, questions lies in a shift of focus: from a narrow, field-specific view to a radically inclusive, interdisciplinary new modus operandi at the intersection of SPA and the information and data sciences. Concretely addressing these broader themes, we present results from a novel technique for knowledge discovery in the magnetosphere-ionosphere-thermosphere (MIT) system: complex network analysis (NA). We share findings from the first NA of ionospheric total electron content (TEC) data, including hemispheric and interplanetary magnetic field clock angle dependencies [1]. Our work shows that NA complements more traditional approaches for the investigation of TEC structure and dynamics, by both reaffirming well-established understanding, giving credence to the method, and identifying new connections, illustrating the exciting potential. We contextualize these new results through a discussion of the potential of data-driven discovery in the MIT system when innovative data science techniques are embraced. We address implications and potentially disruptive data analysis approaches for SPA in terms of: 1) the future of the geospace observational system; 2) understanding multi-scale phenomena; and 3) machine learning. [1] McGranaghan, R. M., A. J. Mannucci, O. Verkhoglyadova, and N. Malik (2017), Finding multiscale connectivity in our geospace observational system: Network analysis of total electron content, J. Geophys. Res. Space Physics, 122, doi:10.1002/2017JA024202.

  2. Quantifying moisture transport in cementitious materials using neutron radiography

    Science.gov (United States)

    Lucero, Catherine L.

    A portion of the concrete pavements in the US have recently been observed to have premature joint deterioration. This damage is caused in part by the ingress of fluids, like water, salt water, or deicing salts. The ingress of these fluids can damage concrete when they freeze and expand or can react with the cementitious matrix causing damage. To determine the quality of concrete for assessing potential service life it is often necessary to measure the rate of fluid ingress, or sorptivity. Neutron imaging is a powerful method for quantifying fluid penetration since it can describe where water has penetrated, how quickly it has penetrated and the volume of water in the concrete or mortar. Neutrons are sensitive to light atoms such as hydrogen and thus clearly detect water at high spatial and temporal resolution. It can be used to detect small changes in moisture content and is ideal for monitoring wetting and drying in mortar exposed to various fluids. This study aimed at developing a method to accurately estimate moisture content in mortar. The common practice is to image the material dry as a reference before exposing to fluid and normalizing subsequent images to the reference. The volume of water can then be computed using the Beer-Lambert law. This method can be limiting because it requires exact image alignment between the reference image and all subsequent images. A model of neutron attenuation in a multi-phase cementitious composite was developed to be used in cases where a reference image is not available. The attenuation coefficients for water, un-hydrated cement, and sand were directly calculated from the neutron images. The attenuation coefficient for the hydration products was then back-calculated. The model can estimate the degree of saturation in a mortar with known mixture proportions without using a reference image for calculation. Absorption in mortars exposed to various fluids (i.e., deionized water and calcium chloride solutions) were investigated

  3. Multiscale Modeling of Ceramic Matrix Composites

    Science.gov (United States)

    Bednarcyk, Brett A.; Mital, Subodh K.; Pineda, Evan J.; Arnold, Steven M.

    2015-01-01

    Results of multiscale modeling simulations of the nonlinear response of SiC/SiC ceramic matrix composites are reported, wherein the microstructure of the ceramic matrix is captured. This micro scale architecture, which contains free Si material as well as the SiC ceramic, is responsible for residual stresses that play an important role in the subsequent thermo-mechanical behavior of the SiC/SiC composite. Using the novel Multiscale Generalized Method of Cells recursive micromechanics theory, the microstructure of the matrix, as well as the microstructure of the composite (fiber and matrix) can be captured.

  4. Expanded Large-Scale Forcing Properties Derived from the Multiscale Data Assimilation System and Its Application to Single-Column Models

    Science.gov (United States)

    Feng, S.; Li, Z.; Liu, Y.; Lin, W.; Toto, T.; Vogelmann, A. M.; Fridlind, A. M.

    2013-12-01

    We present an approach to derive large-scale forcing that is used to drive single-column models (SCMs) and cloud resolving models (CRMs)/large eddy simulation (LES) for evaluating fast physics parameterizations in climate models. The forcing fields are derived by use of a newly developed multi-scale data assimilation (MS-DA) system. This DA system is developed on top of the NCEP Gridpoint Statistical Interpolation (GSI) System and is implemented in the Weather Research and Forecasting (WRF) model at a cloud resolving resolution of 2 km. This approach has been applied to the generation of large scale forcing for a set of Intensive Operation Periods (IOPs) over the Atmospheric Radiation Measurement (ARM) Climate Research Facility's Southern Great Plains (SGP) site. The dense ARM in-situ observations and high-resolution satellite data effectively constrain the WRF model. The evaluation shows that the derived forcing displays accuracies comparable to the existing continuous forcing product and, overall, a better dynamic consistency with observed cloud and precipitation. One important application of this approach is to derive large-scale hydrometeor forcing and multiscale forcing, which is not provided in the existing continuous forcing product. It is shown that the hydrometeor forcing poses an appreciable impact on cloud and precipitation fields in the single-column model simulations. The large-scale forcing exhibits a significant dependency on domain-size that represents SCM grid-sizes. Subgrid processes often contribute a significant component to the large-scale forcing, and this contribution is sensitive to the grid-size and cloud-regime.

  5. Multi-Scale Models for the Scale Interaction of Organized Tropical Convection

    Science.gov (United States)

    Yang, Qiu

    Assessing the upscale impact of organized tropical convection from small spatial and temporal scales is a research imperative, not only for having a better understanding of the multi-scale structures of dynamical and convective fields in the tropics, but also for eventually helping in the design of new parameterization strategies to improve the next-generation global climate models. Here self-consistent multi-scale models are derived systematically by following the multi-scale asymptotic methods and used to describe the hierarchical structures of tropical atmospheric flows. The advantages of using these multi-scale models lie in isolating the essential components of multi-scale interaction and providing assessment of the upscale impact of the small-scale fluctuations onto the large-scale mean flow through eddy flux divergences of momentum and temperature in a transparent fashion. Specifically, this thesis includes three research projects about multi-scale interaction of organized tropical convection, involving tropical flows at different scaling regimes and utilizing different multi-scale models correspondingly. Inspired by the observed variability of tropical convection on multiple temporal scales, including daily and intraseasonal time scales, the goal of the first project is to assess the intraseasonal impact of the diurnal cycle on the planetary-scale circulation such as the Hadley cell. As an extension of the first project, the goal of the second project is to assess the intraseasonal impact of the diurnal cycle over the Maritime Continent on the Madden-Julian Oscillation. In the third project, the goals are to simulate the baroclinic aspects of the ITCZ breakdown and assess its upscale impact on the planetary-scale circulation over the eastern Pacific. These simple multi-scale models should be useful to understand the scale interaction of organized tropical convection and help improve the parameterization of unresolved processes in global climate models.

  6. Asymptotic Expansion Homogenization for Multiscale Nuclear Fuel Analysis

    International Nuclear Information System (INIS)

    2015-01-01

    Engineering scale nuclear fuel performance simulations can benefit by utilizing high-fidelity models running at a lower length scale. Lower length-scale models provide a detailed view of the material behavior that is used to determine the average material response at the macroscale. These lower length-scale calculations may provide insight into material behavior where experimental data is sparse or nonexistent. This multiscale approach is especially useful in the nuclear field, since irradiation experiments are difficult and expensive to conduct. The lower length-scale models complement the experiments by influencing the types of experiments required and by reducing the total number of experiments needed. This multiscale modeling approach is a central motivation in the development of the BISON-MARMOT fuel performance codes at Idaho National Laboratory. These codes seek to provide more accurate and predictive solutions for nuclear fuel behavior. One critical aspect of multiscale modeling is the ability to extract the relevant information from the lower length-scale sim- ulations. One approach, the asymptotic expansion homogenization (AEH) technique, has proven to be an effective method for determining homogenized material parameters. The AEH technique prescribes a system of equations to solve at the microscale that are used to compute homogenized material constants for use at the engineering scale. In this work, we employ AEH to explore the effect of evolving microstructural thermal conductivity and elastic constants on nuclear fuel performance. We show that the AEH approach fits cleanly into the BISON and MARMOT codes and provides a natural, multidimensional homogenization capability.

  7. EEMD-based multiscale ICA method for slewing bearing fault detection and diagnosis

    Science.gov (United States)

    Žvokelj, Matej; Zupan, Samo; Prebil, Ivan

    2016-05-01

    A novel multivariate and multiscale statistical process monitoring method is proposed with the aim of detecting incipient failures in large slewing bearings, where subjective influence plays a minor role. The proposed method integrates the strengths of the Independent Component Analysis (ICA) multivariate monitoring approach with the benefits of Ensemble Empirical Mode Decomposition (EEMD), which adaptively decomposes signals into different time scales and can thus cope with multiscale system dynamics. The method, which was named EEMD-based multiscale ICA (EEMD-MSICA), not only enables bearing fault detection but also offers a mechanism of multivariate signal denoising and, in combination with the Envelope Analysis (EA), a diagnostic tool. The multiscale nature of the proposed approach makes the method convenient to cope with data which emanate from bearings in complex real-world rotating machinery and frequently represent the cumulative effect of many underlying phenomena occupying different regions in the time-frequency plane. The efficiency of the proposed method was tested on simulated as well as real vibration and Acoustic Emission (AE) signals obtained through conducting an accelerated run-to-failure lifetime experiment on a purpose-built laboratory slewing bearing test stand. The ability to detect and locate the early-stage rolling-sliding contact fatigue failure of the bearing indicates that AE and vibration signals carry sufficient information on the bearing condition and that the developed EEMD-MSICA method is able to effectively extract it, thereby representing a reliable bearing fault detection and diagnosis strategy.

  8. Physics-based hybrid method for multiscale transport in porous media

    Science.gov (United States)

    Yousefzadeh, Mehrdad; Battiato, Ilenia

    2017-09-01

    Despite advancements in the development of multiscale models for flow and reactive transport in porous media, the accurate, efficient and physics-based coupling of multiple scales in hybrid models remains a major theoretical and computational challenge. Improving the predictivity of macroscale predictions by means of multiscale algorithms relative to classical at-scale models is the primary motivation for the development of multiscale simulators. Yet, very few are the quantitative studies that explicitly address the predictive capability of multiscale coupling algorithms as it is still generally not possible to have a priori estimates of the errors that are present when complex flow processes are modeled. We develop a nonintrusive pore-/continuum-scale hybrid model whose coupling error is bounded by the upscaling error, i.e. we build a predictive tightly coupled multiscale scheme. This is accomplished by slightly enlarging the subdomain where continuum-scale equations are locally invalid and analytically defining physics-based coupling conditions at the interfaces separating the two computational sub-domains, while enforcing state variable and flux continuity. The proposed multiscale coupling approach retains the advantages of domain decomposition approaches, including the use of existing solvers for each subdomain, while it gains flexibility in the choice of the numerical discretization method and maintains the coupling errors bounded by the upscaling error. We implement the coupling in finite volumes and test the proposed method by modeling flow and transport through a reactive channel and past an array of heterogeneously reactive cylinders.

  9. The trend of the multi-scale temporal variability of precipitation in Colorado River Basin

    Science.gov (United States)

    Jiang, P.; Yu, Z.

    2011-12-01

    Hydrological problems like estimation of flood and drought frequencies under future climate change are not well addressed as a result of the disability of current climate models to provide reliable prediction (especially for precipitation) shorter than 1 month. In order to assess the possible impacts that multi-scale temporal distribution of precipitation may have on the hydrological processes in Colorado River Basin (CRB), a comparative analysis of multi-scale temporal variability of precipitation as well as the trend of extreme precipitation is conducted in four regions controlled by different climate systems. Multi-scale precipitation variability including within-storm patterns and intra-annual, inter-annual and decadal variabilities will be analyzed to explore the possible trends of storm durations, inter-storm periods, average storm precipitation intensities and extremes under both long-term natural climate variability and human-induced warming. Further more, we will examine the ability of current climate models to simulate the multi-scale temporal variability and extremes of precipitation. On the basis of these analyses, a statistical downscaling method will be developed to disaggregate the future precipitation scenarios which will provide a more reliable and finer temporal scale precipitation time series for hydrological modeling. Analysis results and downscaling results will be presented.

  10. Replacement of quartz in cementitious composites using PET particles:A statistical analysis of the physical and mechanical properties

    OpenAIRE

    Detomi, Anine Cristina; Filho, Sergio Luiz Moni Ribeiro; Panzera, Túlio H C; Schiavon, Marco Antonio; Silva, Vania R V; Scarpa, Fabrizio

    2016-01-01

    This work investigates the mechanical behavior of cementitious composites (mortar) when quartz inclusions are totally or partially replaced with polyethylene terephthalate (PET) particles. A full factorial design is performed to identify the effect of the water/cement ratio and the range of quartz particles size used in the replacement on the different mechanical and physical parameters (bulk density, apparent porosity, water absorption, oxygen permeability, compressive strength, and modulus ...

  11. Mechanical Properties of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling and Experiments

    Science.gov (United States)

    Hadden, C. M.; Klimek-McDonald, D. R.; Pineda, E. J.; King, J. A.; Reichanadter, A. M.; Miskioglu, I.; Gowtham, S.; Odegard, G. M.

    2015-01-01

    Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.

  12. Mechanical Properties of Graphene Nanoplatelet Carbon Fiber Epoxy Hybrid Composites: Multiscale Modeling and Experiments

    Science.gov (United States)

    Hadden, Cameron M.; Klimek-McDonald, Danielle R.; Pineda, Evan J.; King, Julie A.; Reichanadter, Alex M.; Miskioglu, Ibrahim; Gowtham, S.; Odegard, Gregory M.

    2015-01-01

    Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.

  13. Multiscale finite element methods for high-contrast problems using local spectral basis functions

    KAUST Repository

    Efendiev, Yalchin

    2011-02-01

    In this paper we study multiscale finite element methods (MsFEMs) using spectral multiscale basis functions that are designed for high-contrast problems. Multiscale basis functions are constructed using eigenvectors of a carefully selected local spectral problem. This local spectral problem strongly depends on the choice of initial partition of unity functions. The resulting space enriches the initial multiscale space using eigenvectors of local spectral problem. The eigenvectors corresponding to small, asymptotically vanishing, eigenvalues detect important features of the solutions that are not captured by initial multiscale basis functions. Multiscale basis functions are constructed such that they span these eigenfunctions that correspond to small, asymptotically vanishing, eigenvalues. We present a convergence study that shows that the convergence rate (in energy norm) is proportional to (H/Λ*)1/2, where Λ* is proportional to the minimum of the eigenvalues that the corresponding eigenvectors are not included in the coarse space. Thus, we would like to reach to a larger eigenvalue with a smaller coarse space. This is accomplished with a careful choice of initial multiscale basis functions and the setup of the eigenvalue problems. Numerical results are presented to back-up our theoretical results and to show higher accuracy of MsFEMs with spectral multiscale basis functions. We also present a hierarchical construction of the eigenvectors that provides CPU savings. © 2010.

  14. Engineering feasibility for the fabrication and emplacement of cementitious repository materials: results from the EC-ESDRED project

    International Nuclear Information System (INIS)

    Alonso, Maria Cruz; Garcia-Sineriz, Jose Luis

    2012-01-01

    Maria Cruz Alonso of the Spanish National Research Council gave a presentation that summarised relevant findings on cementitious materials from the EC ESDRED (Engineering Studies and Demonstration of Repository Designs) Project. Concrete will be used for different purposes during the construction of geologic repositories for radioactive waste. These purposes include grouting, tunnel and drift lining, and tunnel plugging and sealing. Although some of the concrete may be removed before repository closure, a significant amount of concrete will remain in the repository. An important concern regarding the use of cementitious materials in geologic repositories for HLW and spent fuel is their interaction with the bentonite buffer, backfill material, and the host rock close to the repository near-field. For this reason, the ESDRED project has developed a low-pH concrete formulation as an alternative to standard ordinary Portland cement (OPC) concrete formulations with the aim of reducing the interaction of the cementitious materials with the near-field components. The main functional requirement required in the development of the low-pH material was a pore fluid pH < 11, which is considered acceptable for preventing or reducing the alteration of the bentonite EBS. Other functional requirements considered in the development of the low-pH concrete were: - Hydraulic conductivity. - Mechanical properties. - Durability. - Workability and pumpability. - Slumping. - Peak hydration temperature. - Thermal conductivity. - Use of organic components. - Use of other products. The development of the low-pH concrete involved laboratory work, as well as field testing at the Aespoe underground research laboratory (URL) in Sweden, and in the Grimsel URL and at the Hagerbach site in Switzerland. The ESDRED project demonstrated that low-pH cements can be formulated and used for production of concrete plugs and rock support. OPC can be used as the cement included in low-pH blends, but at least

  15. A computational systems biology software platform for multiscale modeling and simulation: Integrating whole-body physiology, disease biology, and molecular reaction networks

    Directory of Open Access Journals (Sweden)

    Thomas eEissing

    2011-02-01

    Full Text Available Today, in silico studies and trial simulations already complement experimental approaches in pharmaceutical R&D and have become indispensable tools for decision making and communication with regulatory agencies. While biology is multi-scale by nature, project work and software tools usually focus on isolated aspects of drug action, such as pharmacokinetics at the organism scale or pharmacodynamic interaction on the molecular level. We present a modeling and simulation software platform consisting of PK-Sim® and MoBi® capable of building and simulating models that integrate across biological scales. A prototypical multiscale model for the progression of a pancreatic tumor and its response to pharmacotherapy is constructed and virtual patients are treated with a prodrug activated by hepatic metabolization. Tumor growth is driven by signal transduction leading to cell cycle transition and proliferation. Free tumor concentrations of the active metabolite inhibit Raf kinase in the signaling cascade and thereby cell cycle progression. In a virtual clinical study, the individual therapeutic outcome of the chemotherapeutic intervention is simulated for a large population with heterogeneous genomic background. Thereby, the platform allows efficient model building and integration of biological knowledge and prior data from all biological scales. Experimental in vitro model systems can be linked with observations in animal experiments and clinical trials. The interplay between patients, diseases, and drugs and topics with high clinical relevance such as the role of pharmacogenomics, drug-drug or drug-metabolite interactions can be addressed using this mechanistic, insight driven multiscale modeling approach.

  16. Computational design and multiscale modeling of a nanoactuator using DNA actuation

    International Nuclear Information System (INIS)

    Hamdi, Mustapha

    2009-01-01

    Developments in the field of nano-biodevices coupling nanostructures and biological components are of great interest in medical nanorobotics. As the fundamentals of bio/non-bio interaction processes are still poorly understood in the design of these devices, design tools and multiscale dynamics modeling approaches are necessary at the fabrication pre-project stage. This paper proposes a new concept of optimized carbon nanotube based servomotor design for drug delivery and biomolecular transport applications. The design of an encapsulated DNA-multi-walled carbon nanotube actuator is prototyped using multiscale modeling. The system is parametrized by using a quantum level approach and characterized by using a molecular dynamics simulation. Based on the analysis of the simulation results, a servo nanoactuator using ionic current feedback is simulated and analyzed for application as a drug delivery carrier.

  17. Multiscale Finite Element Methods for Flows on Rough Surfaces

    KAUST Repository

    Efendiev, Yalchin

    2013-01-01

    In this paper, we present the Multiscale Finite Element Method (MsFEM) for problems on rough heterogeneous surfaces. We consider the diffusion equation on oscillatory surfaces. Our objective is to represent small-scale features of the solution via multiscale basis functions described on a coarse grid. This problem arises in many applications where processes occur on surfaces or thin layers. We present a unified multiscale finite element framework that entails the use of transformations that map the reference surface to the deformed surface. The main ingredients of MsFEM are (1) the construction of multiscale basis functions and (2) a global coupling of these basis functions. For the construction of multiscale basis functions, our approach uses the transformation of the reference surface to a deformed surface. On the deformed surface, multiscale basis functions are defined where reduced (1D) problems are solved along the edges of coarse-grid blocks to calculate nodalmultiscale basis functions. Furthermore, these basis functions are transformed back to the reference configuration. We discuss the use of appropriate transformation operators that improve the accuracy of the method. The method has an optimal convergence if the transformed surface is smooth and the image of the coarse partition in the reference configuration forms a quasiuniform partition. In this paper, we consider such transformations based on harmonic coordinates (following H. Owhadi and L. Zhang [Comm. Pure and Applied Math., LX(2007), pp. 675-723]) and discuss gridding issues in the reference configuration. Numerical results are presented where we compare the MsFEM when two types of deformations are used formultiscale basis construction. The first deformation employs local information and the second deformation employs a global information. Our numerical results showthat one can improve the accuracy of the simulations when a global information is used. © 2013 Global-Science Press.

  18. Fatigue of multiscale composites with secondary nanoplatelet reinforcement: 3D computational analysis

    DEFF Research Database (Denmark)

    Dai, Gaoming; Mishnaevsky, Leon, Jr.

    2014-01-01

    3D numerical simulations of fatigue damage of multiscale fiber reinforced polymer composites with secondary nanoclay reinforcement are carried out. Macro–micro FE models of the multiscale composites are generated automatically using Python based software. The effect of the nanoclay reinforcement....... Multiscale composites with exfoliated nanoreinforcement and aligned nanoplatelets ensure the better fatigue resistance than those with intercalated/clustered and randomly oriented nanoreinforcement....

  19. Multiscale Phase Inversion of Seismic Data

    KAUST Repository

    Fu, Lei

    2017-12-02

    We present a scheme for multiscale phase inversion (MPI) of seismic data that is less sensitive to the unmodeled physics of wave propagation and a poor starting model than standard full waveform inversion (FWI). To avoid cycle-skipping, the multiscale strategy temporally integrates the traces several times, i.e. high-order integration, to produce low-boost seismograms that are used as input data for the initial iterations of MPI. As the iterations proceed, higher frequencies in the data are boosted by using integrated traces of lower order as the input data. The input data are also filtered into different narrow frequency bands for the MPI implementation. At low frequencies, we show that MPI with windowed reflections approximates wave equation inversion of the reflection traveltimes, except no traveltime picking is needed. Numerical results with synthetic acoustic data show that MPI is more robust than conventional multiscale FWI when the initial model is far from the true model. Results from synthetic viscoacoustic and elastic data show that MPI is less sensitive than FWI to some of the unmodeled physics. Inversion of marine data shows that MPI is more robust and produces modestly more accurate results than FWI for this data set.

  20. Quantifying complexity of financial short-term time series by composite multiscale entropy measure

    Science.gov (United States)

    Niu, Hongli; Wang, Jun

    2015-05-01

    It is significant to study the complexity of financial time series since the financial market is a complex evolved dynamic system. Multiscale entropy is a prevailing method used to quantify the complexity of a time series. Due to its less reliability of entropy estimation for short-term time series at large time scales, a modification method, the composite multiscale entropy, is applied to the financial market. To qualify its effectiveness, its applications in the synthetic white noise and 1 / f noise with different data lengths are reproduced first in the present paper. Then it is introduced for the first time to make a reliability test with two Chinese stock indices. After conducting on short-time return series, the CMSE method shows the advantages in reducing deviations of entropy estimation and demonstrates more stable and reliable results when compared with the conventional MSE algorithm. Finally, the composite multiscale entropy of six important stock indices from the world financial markets is investigated, and some useful and interesting empirical results are obtained.

  1. MORTAR INCORPORATING SUPPLEMENTARY CEMENTITIOUS MATERIALS: STRENGTH, ISOTHERMAL CALORIMETRY AND ACIDS ATTACK

    Directory of Open Access Journals (Sweden)

    Y. Senhadji

    2016-05-01

    Full Text Available Supplementary cementitious materials (SCMs prove to be effective to meet most of the requirements of durable concrete and leads to a significant reduction in CO2 emissions. This research studies the effect different SCMs (natural pozzolan (PN/ limestone fine (FC at various remplacement levels on the physical and mechano-chemical resistance of blended mortar. The paper primarily deals with the characteristics of these materials, including heat of hydration, strength and effects of aggressive chemical environments (using sulphuric acid and nitric acid. Over 6 mixes were made and compared to the control mix. Tests were conducted at different ages up to 360 days. The experimental results in general showed that Algerian mineral admixtures (PN/FC were less vulnerable to nitric and sulphuric acid attack and improved the properties of mortars, but at different rates depending on the quantity of binder.

  2. Multiscale modeling of θ' precipitation in Al-Cu binary alloys

    International Nuclear Information System (INIS)

    Vaithyanathan, V.; Wolverton, C.; Chen, L.Q.

    2004-01-01

    We present a multiscale model for studying the growth and coarsening of θ' precipitates in Al-Cu alloys. Our approach utilizes a novel combination of the mesoscale phase-field method with atomistic approaches such as first-principles total energy and linear response calculations, as well as a mixed-space cluster expansion coupled with Monte Carlo simulations. We give quantitative first-principles predictions of: (i) bulk energetics of the Al-Cu solid solution and θ ' precipitate phases, (ii) interfacial energies of the coherent and semi-coherent θ ' /Al interfaces, and (iii) stress-free misfit strains and coherency strain energies of the θ ' /Al system. These first-principles data comprise all the necessary energetic information to construct our phase-field model of microstructural evolution. Using our multiscale approach, we elucidate the effects of various energetic contributions on the equilibrium shape of θ ' precipitates, finding that both the elastic energy and interfacial energy anisotropy contributions play critical roles in determining the aspect ratio of θ ' precipitates. Additionally, we have performed a quantitative study of the morphology of two-dimensional multi-precipitate microstructures during growth and coarsening, and compared the calculated results with experimentally observed morphologies. Our multiscale first-principles/phase-field method is completely general and should therefore be applicable to a wide variety of problems in microstructural evolution

  3. Characterization and application of automated in-vacuum PIXE/EBS system for direct analysis of chloride and sulfate ions attack in cementitious materials

    Science.gov (United States)

    Rihawy, M. S.; Alwazzeh, M.; Abbas, K.

    2018-01-01

    Ion beam analysis (IBA) techniques (Particle Induced X-ray Emission, PIXE and Elastic Backscattering Spectrometry, EBS), were applied to investigate chloride and sulfate ions diffusion into laboratory prepared mortar samples. Development and characterization of an automated in-vacuum macro PIXE/EBS system is thoroughly discussed. Depth profile information of both chloride and sulfate ions in laboratory prepared mortar samples, after immersion in sea water for nine months, was rapidly and easily obtained at fairly low cost and with standardless analysis, demonstrating the value of the application of IBA to elemental depth profiling in cementitious materials. Chloride and sulfate depth profiles were obtained for two sets of mortar samples, one prepared with different water/cement (W/C) ratios and the other with different sand/cement (S/C) ratios. Results showed higher diffusion rates of both chloride and sulfate ions when both ratios are increased. Additionally, the W/C ratio has a stronger influence in both sulfate and chloride penetration than the S/C ratio, and chloride ions penetrate faster than sulfates. Advantages and limitations of applying IBA techniques in this investigation are discussed. The comparison between PIXE and other X-ray based analytical techniques, namely X-ray fluorescence (XRF) and energy and wavelength dispersive X-rays (EDX/WDX), as well as other traditional wet chemical methods is reviewed, and industrial applications are discussed.

  4. On a multiscale approach for filter efficiency simulations

    KAUST Repository

    Iliev, Oleg

    2014-07-01

    Filtration in general, and the dead end depth filtration of solid particles out of fluid in particular, is intrinsic multiscale problem. The deposition (capturing of particles) essentially depends on local velocity, on microgeometry (pore scale geometry) of the filtering medium and on the diameter distribution of the particles. The deposited (captured) particles change the microstructure of the porous media what leads to change of permeability. The changed permeability directly influences the velocity field and pressure distribution inside the filter element. To close the loop, we mention that the velocity influences the transport and deposition of particles. In certain cases one can evaluate the filtration efficiency considering only microscale or only macroscale models, but in general an accurate prediction of the filtration efficiency requires multiscale models and algorithms. This paper discusses the single scale and the multiscale models, and presents a fractional time step discretization algorithm for the multiscale problem. The velocity within the filter element is computed at macroscale, and is used as input for the solution of microscale problems at selected locations of the porous medium. The microscale problem is solved with respect to transport and capturing of individual particles, and its solution is postprocessed to provide permeability values for macroscale computations. Results from computational experiments with an oil filter are presented and discussed.

  5. Randomized Oversampling for Generalized Multiscale Finite Element Methods

    KAUST Repository

    Calo, Victor M.

    2016-03-23

    In this paper, we develop efficient multiscale methods for flows in heterogeneous media. We use the generalized multiscale finite element (GMsFEM) framework. GMsFEM approximates the solution space locally using a few multiscale basis functions. This approximation selects an appropriate snapshot space and a local spectral decomposition, e.g., the use of oversampled regions, in order to achieve an efficient model reduction. However, the successful construction of snapshot spaces may be costly if too many local problems need to be solved in order to obtain these spaces. We use a moderate quantity of local solutions (or snapshot vectors) with random boundary conditions on oversampled regions with zero forcing to deliver an efficient methodology. Motivated by the randomized algorithm presented in [P. G. Martinsson, V. Rokhlin, and M. Tygert, A Randomized Algorithm for the approximation of Matrices, YALEU/DCS/TR-1361, Yale University, 2006], we consider a snapshot space which consists of harmonic extensions of random boundary conditions defined in a domain larger than the target region. Furthermore, we perform an eigenvalue decomposition in this small space. We study the application of randomized sampling for GMsFEM in conjunction with adaptivity, where local multiscale spaces are adaptively enriched. Convergence analysis is provided. We present representative numerical results to validate the method proposed.

  6. An infrared small target detection method based on multiscale local homogeneity measure

    Science.gov (United States)

    Nie, Jinyan; Qu, Shaocheng; Wei, Yantao; Zhang, Liming; Deng, Lizhen

    2018-05-01

    Infrared (IR) small target detection plays an important role in the field of image detection area owing to its intrinsic characteristics. This paper presents a multiscale local homogeneity measure (MLHM) for infrared small target detection, which can enhance the performance of IR small target detection system. Firstly, intra-patch homogeneity of the target itself and the inter-patch heterogeneity between target and the local background regions are integrated to enhance the significant of small target. Secondly, a multiscale measure based on local regions is proposed to obtain the most appropriate response. Finally, an adaptive threshold method is applied to small target segmentation. Experimental results on three different scenarios indicate that the MLHM has good performance under the interference of strong noise.

  7. Non-linear multivariate and multiscale monitoring and signal denoising strategy using Kernel Principal Component Analysis combined with Ensemble Empirical Mode Decomposition method

    Science.gov (United States)

    Žvokelj, Matej; Zupan, Samo; Prebil, Ivan

    2011-10-01

    The article presents a novel non-linear multivariate and multiscale statistical process monitoring and signal denoising method which combines the strengths of the Kernel Principal Component Analysis (KPCA) non-linear multivariate monitoring approach with the benefits of Ensemble Empirical Mode Decomposition (EEMD) to handle multiscale system dynamics. The proposed method which enables us to cope with complex even severe non-linear systems with a wide dynamic range was named the EEMD-based multiscale KPCA (EEMD-MSKPCA). The method is quite general in nature and could be used in different areas for various tasks even without any really deep understanding of the nature of the system under consideration. Its efficiency was first demonstrated by an illustrative example, after which the applicability for the task of bearing fault detection, diagnosis and signal denosing was tested on simulated as well as actual vibration and acoustic emission (AE) signals measured on purpose-built large-size low-speed bearing test stand. The positive results obtained indicate that the proposed EEMD-MSKPCA method provides a promising tool for tackling non-linear multiscale data which present a convolved picture of many events occupying different regions in the time-frequency plane.

  8. Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth

    International Nuclear Information System (INIS)

    Cruz, Roberto de la; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

    2017-01-01

    The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction–diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction–diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge

  9. Significance of steel electrical resistance method in the evaluation of reinforcement corrosion in cementitious systems

    Directory of Open Access Journals (Sweden)

    Krajci, L.

    2004-06-01

    Full Text Available The suitable detection system of steel reinforcement corrosion in concrete structures contributes to the reduction of their maintenance costs. Method of steel electrical resistance represents non-destructive monitoring of steel in cementitious systems. Specially prepared and arranged test specimen of steel as a corrosion sensor is embedded in mortar specimen. Verification tests of this method based on chloride corrosion of steel in mortars as well as its visual inspection are introduced. Significance of steel electrical resistance method lies in the expression of steel corrosion by these quantitative parameters: reduction of cross-section of steel, thickness of corroded layer and loss of weight of steel material. This method is an integral method that allows the indirect determination of mentioned corrosion characteristics. The comparison of verified method with gravimetric evaluation of steel corrosion gives a good correspondence. Test results on mortars with calcium chloride dosages between 0.5% and 4.0% by weight of cement prove high sensitiveness and reliability of steel electrical resistance method.

    La utilización de un sistema de detección de la corrosión de las armaduras en estructuras de hormigón puede contribuir a la reducción de sus costes de mantenimiento. El método de la resistencia eléctrica del acero consiste en la monitorización no-destructiva realizada sobre el acero en sistemas cementantes. Dentro de la muestra de mortero se coloca el sistema de detección, especialmente preparado y fijado, actuando como un sensor de la corrosión. En este trabajo se presentan ensayos de verificación de este método, junto con inspecciones visuales, en morteros sometidos a corrosión de armaduras por efecto de los cloruros. La efectividad de este método de la resistencia eléctrica del acero se expresa, en la corrosión de armaduras, de acuerdo a los siguientes parámetros cuantitativos: reducción de la sección transversal del

  10. Study on cementitious properties of steel slag

    Directory of Open Access Journals (Sweden)

    Zhu G.

    2013-01-01

    Full Text Available The converter steel slag chemical and mineral components in China’s main steel plants have been analysed in the present paper. The electronic microscope, energy spectrum analysis, X-ray diffraction analysis confirmed the main mineral compositions in the converter slag. Converter slag of different components were grounded to obtain a powder with specific surface area over 400m2/kg, making them to take place some part of the cement in the concrete as the admixture and carry out the standard tests. The results indicate that the converter slag can be used as cementitious materials for construction. Furthermore, physical mechanic and durability tests on the concrete that certain amount of cement be substituted by converter steel slag powder from different steel plants are carried out, the results show that the concrete with partial substitution of steel slag powder has the advantages of higher later period strength, better frost resistance, good wear resistance and lower hydration heat, etc. This study can be used as the technical basis for “Steel Slag Powder Used For Cement And Concrete”, “Steel Slag Portland Cement”, “Low Heat Portland Steel Slag Cement”, “Steel Slag Road Cement” in China, as well as a driving force to the works of steel slag utilization with high-value addition, circular economy, energy conservation and discharge reduction in the iron and steel industry.

  11. Multi-Scale Dissemination of Time Series Data

    DEFF Research Database (Denmark)

    Guo, Qingsong; Zhou, Yongluan; Su, Li

    2013-01-01

    In this paper, we consider the problem of continuous dissemination of time series data, such as sensor measurements, to a large number of subscribers. These subscribers fall into multiple subscription levels, where each subscription level is specified by the bandwidth constraint of a subscriber......, which is an abstract indicator for both the physical limits and the amount of data that the subscriber would like to handle. To handle this problem, we propose a system framework for multi-scale time series data dissemination that employs a typical tree-based dissemination network and existing time...

  12. Multiscale Space-Time Computational Methods for Fluid-Structure Interactions

    Science.gov (United States)

    2015-09-13

    thermo-fluid analysis of a ground vehicle and its tires ST-SI Computational Analysis of a Vertical - Axis Wind Turbine We have successfully...of a vertical - axis wind turbine . Multiscale Compressible-Flow Computation with Particle Tracking We have successfully tested the multiscale...Tezduyar, Spenser McIntyre, Nikolay Kostov, Ryan Kolesar, Casey Habluetzel. Space–time VMS computation of wind - turbine rotor and tower aerodynamics

  13. A spectral multiscale hybridizable discontinuous Galerkin method for second order elliptic problems

    KAUST Repository

    Efendiev, Yalchin R.

    2015-08-01

    We design a multiscale model reduction framework within the hybridizable discontinuous Galerkin finite element method. Our approach uses local snapshot spaces and local spectral decomposition following the concept of Generalized Multiscale Finite Element Methods. We propose several multiscale finite element spaces on the coarse edges that provide a reduced dimensional approximation for numerical traces within the HDG framework. We provide a general framework for systematic construction of multiscale trace spaces. Using local snapshots, we avoid high dimensional representation of trace spaces and use some local features of the solution space in constructing a low dimensional trace space. We investigate the solvability and numerically study the performance of the proposed method on a representative number of numerical examples.

  14. Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

    Science.gov (United States)

    Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.

    2016-01-01

    Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

  15. Multiscale high-order/low-order (HOLO) algorithms and applications

    International Nuclear Information System (INIS)

    Chacón, L.; Chen, G.; Knoll, D.A.; Newman, C.; Park, H.; Taitano, W.; Willert, J.A.; Womeldorff, G.

    2017-01-01

    We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

  16. Multiscale high-order/low-order (HOLO) algorithms and applications

    Energy Technology Data Exchange (ETDEWEB)

    Chacón, L., E-mail: chacon@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chen, G.; Knoll, D.A.; Newman, C.; Park, H.; Taitano, W. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Willert, J.A. [Institute for Defense Analyses, Alexandria, VA 22311 (United States); Womeldorff, G. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2017-02-01

    We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

  17. Multiscale time-dependent density functional theory: Demonstration for plasmons.

    Science.gov (United States)

    Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J

    2017-08-07

    Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.

  18. Analysis of complex time series using refined composite multiscale entropy

    International Nuclear Information System (INIS)

    Wu, Shuen-De; Wu, Chiu-Wen; Lin, Shiou-Gwo; Lee, Kung-Yen; Peng, Chung-Kang

    2014-01-01

    Multiscale entropy (MSE) is an effective algorithm for measuring the complexity of a time series that has been applied in many fields successfully. However, MSE may yield an inaccurate estimation of entropy or induce undefined entropy because the coarse-graining procedure reduces the length of a time series considerably at large scales. Composite multiscale entropy (CMSE) was recently proposed to improve the accuracy of MSE, but it does not resolve undefined entropy. Here we propose a refined composite multiscale entropy (RCMSE) to improve CMSE. For short time series analyses, we demonstrate that RCMSE increases the accuracy of entropy estimation and reduces the probability of inducing undefined entropy.

  19. Acoustics of multiscale sorptive porous materials

    Science.gov (United States)

    Venegas, R.; Boutin, C.; Umnova, O.

    2017-08-01

    This paper investigates sound propagation in multiscale rigid-frame porous materials that support mass transfer processes, such as sorption and different types of diffusion, in addition to the usual visco-thermo-inertial interactions. The two-scale asymptotic method of homogenization for periodic media is successively used to derive the macroscopic equations describing sound propagation through the material. This allowed us to conclude that the macroscopic mass balance is significantly modified by sorption, inter-scale (micro- to/from nanopore scales) mass diffusion, and inter-scale (pore to/from micro- and nanopore scales) pressure diffusion. This modification is accounted for by the dynamic compressibility of the effective saturating fluid that presents atypical properties that lead to slower speed of sound and higher sound attenuation, particularly at low frequencies. In contrast, it is shown that the physical processes occurring at the micro-nano-scale do not affect the macroscopic fluid flow through the material. The developed theory is exemplified by introducing an analytical model for multiscale sorptive granular materials, which is experimentally validated by comparing its predictions with acoustic measurements on granular activated carbons. Furthermore, we provide empirical evidence supporting an alternative method for measuring sorption and mass diffusion properties of multiscale sorptive materials using sound waves.

  20. Contribution to the study of multi-physical phenomena in cementitious materials

    International Nuclear Information System (INIS)

    Bary, B.

    2010-09-01

    This document is a synthesis of the applied research studies undertaken by the author during ten years, first at the University of Marne-La-Vallee during the period 1999-2002, then at the CEA. These studies concern the modeling and the numerical simulations of the cementitious materials behavior subjected on the one hand to moderate thermomechanical and hydric loadings, and on the other hand to chemical attacks due to the migration of calcium, carbonate and sulfate ions. The developed approaches may be viewed as multi-physical in the sense that the models used for describing the behavior couple various fields and phenomena such as mechanics, thermal, hydric and ionic transfers, and chemistry. In addition, analytical up-scaling techniques are applied to estimate the physical properties associated with these phenomena (mechanical, hydraulic and diffusive parameters) as a function of the microstructure and the hydric state of the material. (author)

  1. Multi-scale graph-cut algorithm for efficient water-fat separation.

    Science.gov (United States)

    Berglund, Johan; Skorpil, Mikael

    2017-09-01

    To improve the accuracy and robustness to noise in water-fat separation by unifying the multiscale and graph cut based approaches to B 0 -correction. A previously proposed water-fat separation algorithm that corrects for B 0 field inhomogeneity in 3D by a single quadratic pseudo-Boolean optimization (QPBO) graph cut was incorporated into a multi-scale framework, where field map solutions are propagated from coarse to fine scales for voxels that are not resolved by the graph cut. The accuracy of the single-scale and multi-scale QPBO algorithms was evaluated against benchmark reference datasets. The robustness to noise was evaluated by adding noise to the input data prior to water-fat separation. Both algorithms achieved the highest accuracy when compared with seven previously published methods, while computation times were acceptable for implementation in clinical routine. The multi-scale algorithm was more robust to noise than the single-scale algorithm, while causing only a small increase (+10%) of the reconstruction time. The proposed 3D multi-scale QPBO algorithm offers accurate water-fat separation, robustness to noise, and fast reconstruction. The software implementation is freely available to the research community. Magn Reson Med 78:941-949, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  2. Aging linear viscoelasticity of matrix-inclusion composite materials featuring ellipsoidal inclusions

    OpenAIRE

    LAVERGNE, Francis; SAB, Karam; SANAHUJA, Julien; BORNERT, Michel; TOULEMONDE, Charles

    2016-01-01

    A multi-scale homogenization scheme is proposed to estimate the time-dependent strains of fiber-reinforced concrete. This material is modeled as an aging linear viscoelastic composite material featuring ellipsoidal inclusions embedded in a viscoelastic cementitious matrix characterized by a time-dependent Poisson's ratio. To this end, the homogenization scheme proposed in Lavergne et al. [1] is adapted to the case of a time-dependent Poisson's ratio and it is successfully validated on a non-a...

  3. MULTISCALE TENSOR ANISOTROPIC FILTERING OF FLUORESCENCE MICROSCOPY FOR DENOISING MICROVASCULATURE.

    Science.gov (United States)

    Prasath, V B S; Pelapur, R; Glinskii, O V; Glinsky, V V; Huxley, V H; Palaniappan, K

    2015-04-01

    Fluorescence microscopy images are contaminated by noise and improving image quality without blurring vascular structures by filtering is an important step in automatic image analysis. The application of interest here is to automatically extract the structural components of the microvascular system with accuracy from images acquired by fluorescence microscopy. A robust denoising process is necessary in order to extract accurate vascular morphology information. For this purpose, we propose a multiscale tensor with anisotropic diffusion model which progressively and adaptively updates the amount of smoothing while preserving vessel boundaries accurately. Based on a coherency enhancing flow with planar confidence measure and fused 3D structure information, our method integrates multiple scales for microvasculature preservation and noise removal membrane structures. Experimental results on simulated synthetic images and epifluorescence images show the advantage of our improvement over other related diffusion filters. We further show that the proposed multiscale integration approach improves denoising accuracy of different tensor diffusion methods to obtain better microvasculature segmentation.

  4. Multi-Scale Modelling of the Gamma Radiolysis of Nitrate Solutions

    OpenAIRE

    Horne, Gregory; Donoclift, Thomas; Sims, Howard E.; M. Orr, Robin; Pimblott, Simon

    2016-01-01

    A multi-scale modelling approach has been developed for the extended timescale long-term radiolysis of aqueous systems. The approach uses a combination of stochastic track structure and track chemistry as well as deterministic homogeneous chemistry techniques and involves four key stages; radiation track structure simulation, the subsequent physicochemical processes, nonhomogeneous diffusion-reaction kinetic evolution, and homogeneous bulk chemistry modelling. The first three components model...

  5. Multiscale phase inversion of seismic marine data

    KAUST Repository

    Fu, Lei

    2017-08-17

    We test the feasibility of applying multiscale phase inversion (MPI) to seismic marine data. To avoid cycle-skipping, the multiscale strategy temporally integrates the traces several times, i.e. high-order integration, to produce low-boost seismograms that are used as input data for the initial iterations of MPI. As the iterations proceed, higher frequencies in the data are boosted by using integrated traces of lower order as the input data. Results with synthetic data and field data from the Gulf of Mexico produce robust and accurate results if the model does not contain strong velocity contrasts such as salt-sediment interfaces.

  6. Multiscale analysis of damage using dual and primal domain decomposition techniques

    NARCIS (Netherlands)

    Lloberas-Valls, O.; Everdij, F.P.X.; Rixen, D.J.; Simone, A.; Sluys, L.J.

    2014-01-01

    In this contribution, dual and primal domain decomposition techniques are studied for the multiscale analysis of failure in quasi-brittle materials. The multiscale strategy essentially consists in decomposing the structure into a number of nonoverlapping domains and considering a refined spatial

  7. Wavelet-based multiscale analysis of minimum toe clearance variability in the young and elderly during walking.

    Science.gov (United States)

    Khandoker, Ahsan H; Karmakar, Chandan K; Begg, Rezaul K; Palaniswami, Marimuthu

    2007-01-01

    As humans age or are influenced by pathology of the neuromuscular system, gait patterns are known to adjust, accommodating for reduced function in the balance control system. The aim of this study was to investigate the effectiveness of a wavelet based multiscale analysis of a gait variable [minimum toe clearance (MTC)] in deriving indexes for understanding age-related declines in gait performance and screening of balance impairments in the elderly. MTC during walking on a treadmill for 30 healthy young, 27 healthy elderly and 10 falls risk elderly subjects with a history of tripping falls were analyzed. The MTC signal from each subject was decomposed to eight detailed signals at different wavelet scales by using the discrete wavelet transform. The variances of detailed signals at scales 8 to 1 were calculated. The multiscale exponent (beta) was then estimated from the slope of the variance progression at successive scales. The variance at scale 5 was significantly (ppathological conditions. Early detection of gait pattern changes due to ageing and balance impairments using wavelet-based multiscale analysis might provide the opportunity to initiate preemptive measures to be undertaken to avoid injurious falls.

  8. Multiscale scenarios for nature futures

    CSIR Research Space (South Africa)

    Rosa, IMD