WorldWideScience

Sample records for material model modelling

  1. Modeling multiphase materials processes

    CERN Document Server

    Iguchi, Manabu

    2010-01-01

    ""Modeling Multiphase Materials Processes: Gas-Liquid Systems"" describes the methodology and application of physical and mathematical modeling to multi-phase flow phenomena in materials processing. The book focuses on systems involving gas-liquid interaction, the most prevalent in current metallurgical processes. The performance characteristics of these processes are largely dependent on transport phenomena. This volume covers the inherent characteristics that complicate the modeling of transport phenomena in such systems, including complex multiphase structure, intense turbulence, opacity of

  2. Thermal fatigue. Materials modelling

    International Nuclear Information System (INIS)

    Siegele, D.; Fingerhuth, J.; Mrovec, M.

    2012-01-01

    In the framework of the ongoing joint research project 'Thermal Fatigue - Basics of the system-, outflow- and material-characteristics of piping under thermal fatigue' funded by the German Federal Ministry of Education and Research (BMBF) fundamental numerical and experimental investigations on the material behavior under transient thermal-mechanical stress conditions (high cycle fatigue V HCF and low cycle fatigue - LCF) are carried out. The primary objective of the research is the further development of simulation methods applied in safety evaluations of nuclear power plant components. In this context the modeling of crack initiation and growth inside the material structure induced by varying thermal loads are of particular interest. Therefore, three scientific working groups organized in three sub-projects of the joint research project are dealing with numerical modeling and simulation at different levels ranging from atomistic to micromechanics and continuum mechanics, and in addition corresponding experimental data for the validation of the numerical results and identification of the parameters of the associated material models are provided. The present contribution is focused on the development and experimental validation of material models and methods to characterize the damage evolution and the life cycle assessment as a result of thermal cyclic loading. The individual purposes of the subprojects are as following: - Material characterization, Influence of temperature and surface roughness on fatigue endurances, biaxial thermo-mechanical behavior, experiments on structural behavior of cruciform specimens and scatter band analysis (IfW Darmstadt) - Life cycle assessment with micromechanical material models (MPA Stuttgart) - Life cycle assessment with atomistic and damage-mechanical material models associated with material tests under thermal fatigue (Fraunhofer IWM, Freiburg) - Simulation of fatigue crack growth, opening and closure of a short crack under

  3. Multifunctional materials and modeling

    CERN Document Server

    Korepanov, M A; Zaikov, Gennady E; Haghi, A K

    2015-01-01

    This important book presents a valuable collection of new research and new trends in nanomaterials, mesoscopy, quantum chemistry, and chemical physics processes. It highlights the development of nanomaterials as well as investigation of combustion and explosion processes. It highlights new trends in processes and methods of the treatment of polymeric materials and also covers material modification, including super small quantities of metal/carbon nanocomposites as well as new information on the modeling of processes and quantum calculations. Nonlinear kinetic appearances and their applications are highlighted as well. The chapters are divided into three major sections: computational modeling, surface and interface investigations, and nanochemistry, nanomaterials, and nanostructured materials.

  4. Modelling of thermoelectric materials

    DEFF Research Database (Denmark)

    Bjerg, Lasse

    In order to discover new good thermoelectric materials, there are essentially two ways. One way is to go to the laboratory, synthesise a new material, and measure the thermoelectric properties. The amount of compounds, which can be investigated this way is limited because the process is time...... consuming. Another approach is to model the thermoelectric properties of a material on a computer. Several crystal structures can be investigated this way without use of much man power. I have chosen the latter approach. Using density functional theory I am able to calculate the band structure of a material....... This band structure I can then use to calculate the thermoelectric properties of the material. With these results I have investigated several materials and found the optimum theoretical doping concentration. If materials with these doping concentrations be synthesised, considerably better thermoelectric...

  5. Realistic Material Appearance Modelling

    Czech Academy of Sciences Publication Activity Database

    Haindl, Michal; Filip, Jiří; Hatka, Martin

    2010-01-01

    Roč. 2010, č. 81 (2010), s. 13-14 ISSN 0926-4981 R&D Projects: GA ČR GA102/08/0593 Institutional research plan: CEZ:AV0Z10750506 Keywords : bidirectional texture function * texture modelling Subject RIV: BD - Theory of Information http:// library .utia.cas.cz/separaty/2010/RO/haindl-realistic material appearance modelling.pdf

  6. Material Modelling - Composite Approach

    DEFF Research Database (Denmark)

    Nielsen, Lauge Fuglsang

    1997-01-01

    is successfully justified comparing predicted results with experimental data obtained in the HETEK-project on creep, relaxation, and shrinkage of very young concretes cured at a temperature of T = 20^o C and a relative humidity of RH = 100%. The model is also justified comparing predicted creep, shrinkage......, and internal stresses caused by drying shrinkage with experimental results reported in the literature on the mechanical behavior of mature concretes. It is then concluded that the model presented applied in general with respect to age at loading.From a stress analysis point of view the most important finding...... in this report is that cement paste and concrete behave practically as linear-viscoelastic materials from an age of approximately 10 hours. This is a significant age extension relative to earlier studies in the literature where linear-viscoelastic behavior is only demonstrated from ages of a few days. Thus...

  7. Materials Informatics: Statistical Modeling in Material Science.

    Science.gov (United States)

    Yosipof, Abraham; Shimanovich, Klimentiy; Senderowitz, Hanoch

    2016-12-01

    Material informatics is engaged with the application of informatic principles to materials science in order to assist in the discovery and development of new materials. Central to the field is the application of data mining techniques and in particular machine learning approaches, often referred to as Quantitative Structure Activity Relationship (QSAR) modeling, to derive predictive models for a variety of materials-related "activities". Such models can accelerate the development of new materials with favorable properties and provide insight into the factors governing these properties. Here we provide a comparison between medicinal chemistry/drug design and materials-related QSAR modeling and highlight the importance of developing new, materials-specific descriptors. We survey some of the most recent QSAR models developed in materials science with focus on energetic materials and on solar cells. Finally we present new examples of material-informatic analyses of solar cells libraries produced from metal oxides using combinatorial material synthesis. Different analyses lead to interesting physical insights as well as to the design of new cells with potentially improved photovoltaic parameters. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Aerospace Materials Process Modelling

    Science.gov (United States)

    1988-08-01

    Cooling Transformation diagram ( CCT diagram ) When a IT diagram is used in the heat process modelling, we suppose that a sudden cooling (instantaneous...processes. CE, chooses instead to study thermo-mechanical properties referring to a CCT diagram . This is thinked to be more reliable to give a true...k , mm-_____sml l ml A I 1 III 12.4 This determination is however based on the following approximations: i) A CCT diagram is valid only for the

  9. Global nuclear material control model

    International Nuclear Information System (INIS)

    Dreicer, J.S.; Rutherford, D.A.

    1996-01-01

    The nuclear danger can be reduced by a system for global management, protection, control, and accounting as part of a disposition program for special nuclear materials. The development of an international fissile material management and control regime requires conceptual research supported by an analytical and modeling tool that treats the nuclear fuel cycle as a complete system. Such a tool must represent the fundamental data, information, and capabilities of the fuel cycle including an assessment of the global distribution of military and civilian fissile material inventories, a representation of the proliferation pertinent physical processes, and a framework supportive of national or international perspective. They have developed a prototype global nuclear material management and control systems analysis capability, the Global Nuclear Material Control (GNMC) model. The GNMC model establishes the framework for evaluating the global production, disposition, and safeguards and security requirements for fissile nuclear material

  10. Modelling of buffer material behaviour

    International Nuclear Information System (INIS)

    Boergesson, L.

    1988-12-01

    Some material models of smectite rich buffer material suited for nuclear waste isolation are accounted for in the report. The application of these models in finite element calculations of some scenarios and performance are also shown. The rock shear scenario has been closely studied with comparisons between calculated and measured results. Sensitivity analyses of the effect of changing the density of the clay and the rate of shear have been performed as well as one calculation using a hollow steel cylinder. Material models and finite element calculations of canister settlement, thermomechanical effects and swelling are also accounted for. The report shows the present state of the work to establish material models and calculation tools which can be used at the final design of the repository. (31 illustrations)

  11. Constitutive model for porous materials

    International Nuclear Information System (INIS)

    Weston, A.M.; Lee, E.L.

    1982-01-01

    A simple pressure versus porosity compaction model is developed to calculate the response of granular porous bed materials to shock impact. The model provides a scheme for calculating compaction behavior when relatively limited material data are available. While the model was developed to study porous explosives and propellants, it has been applied to a much wider range of materials. The early development of porous material models, such as that of Hermann, required empirical dynamic compaction data. Erkman and Edwards successfully applied the early theory to unreacted porous high explosives using a Gruneisen equation of state without yield behavior and without trapped gas in the pores. Butcher included viscoelastic rate dependance in pore collapse. The theoretical treatment of Carroll and Holt is centered on the collapse of a circular pore and includes radial inertia terms and a complex set of stress, strain and strain rate constitutive parameters. Unfortunately data required for these parameters are generally not available. The model described here is also centered on the collapse of a circular pore, but utilizes a simpler elastic-plastic static equilibrium pore collapse mechanism without strain rate dependence, or radial inertia terms. It does include trapped gas inside the pore, a solid material flow stress that creates both a yield point and a variation in solid material pressure with radius. The solid is described by a Mie-Gruneisen type EOS. Comparisons show that this model will accurately estimate major mechanical features which have been observed in compaction experiments

  12. Hierarchical modeling of active materials

    International Nuclear Information System (INIS)

    Taya, Minoru

    2003-01-01

    Intelligent (or smart) materials are increasingly becoming key materials for use in actuators and sensors. If an intelligent material is used as a sensor, it can be embedded in a variety of structure functioning as a health monitoring system to make their life longer with high reliability. If an intelligent material is used as an active material in an actuator, it plays a key role of making dynamic movement of the actuator under a set of stimuli. This talk intends to cover two different active materials in actuators, (1) piezoelectric laminate with FGM microstructure, (2) ferromagnetic shape memory alloy (FSMA). The advantage of using the FGM piezo laminate is to enhance its fatigue life while maintaining large bending displacement, while that of use in FSMA is its fast actuation while providing a large force and stroke capability. Use of hierarchical modeling of the above active materials is a key design step in optimizing its microstructure for enhancement of their performance. I will discuss briefly hierarchical modeling of the above two active materials. For FGM piezo laminate, we will use both micromechanical model and laminate theory, while for FSMA, the modeling interfacing nano-structure, microstructure and macro-behavior is discussed. (author)

  13. Materials Analysis and Modeling of Underfill Materials.

    Energy Technology Data Exchange (ETDEWEB)

    Wyatt, Nicholas B [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Chambers, Robert S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-08-01

    The thermal-mechanical properties of three potential underfill candidate materials for PBGA applications are characterized and reported. Two of the materials are a formulations developed at Sandia for underfill applications while the third is a commercial product that utilizes a snap-cure chemistry to drastically reduce cure time. Viscoelastic models were calibrated and fit using the property data collected for one of the Sandia formulated materials. Along with the thermal-mechanical analyses performed, a series of simple bi-material strip tests were conducted to comparatively analyze the relative effects of cure and thermal shrinkage amongst the materials under consideration. Finally, current knowledge gaps as well as questions arising from the present study are identified and a path forward presented.

  14. Model-to-model interface for multiscale materials modeling

    Energy Technology Data Exchange (ETDEWEB)

    Antonelli, Perry Edward [Iowa State Univ., Ames, IA (United States)

    2017-12-17

    A low-level model-to-model interface is presented that will enable independent models to be linked into an integrated system of models. The interface is based on a standard set of functions that contain appropriate export and import schemas that enable models to be linked with no changes to the models themselves. These ideas are presented in the context of a specific multiscale material problem that couples atomistic-based molecular dynamics calculations to continuum calculations of fluid ow. These simulations will be used to examine the influence of interactions of the fluid with an adjacent solid on the fluid ow. The interface will also be examined by adding it to an already existing modeling code, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and comparing it with our own molecular dynamics code.

  15. Modelling Hospital Materials Management Processes

    Directory of Open Access Journals (Sweden)

    Raffaele Iannone

    2013-06-01

    integrated and detailed analysis and description model for hospital materials management data and tasks, which is able to tackle information from patient requirements to usage, from replenishment requests to supplying and handling activities. The model takes account of medical risk reduction, traceability and streamlined processes perspectives. Second, the paper translates this information into a business process model and mathematical formalization.The study provides a useful guide to the various relevant technology‐related, management and business issues, laying the foundations of an efficient reengineering of the supply chain to reduce healthcare costs and improve the quality of care.

  16. HYPERELASTIC MODELS FOR GRANULAR MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    Humrickhouse, Paul W; Corradini, Michael L

    2009-01-29

    A continuum framework for modeling of dust mobilization and transport, and the behavior of granular systems in general, has been reviewed, developed and evaluated for reactor design applications. The large quantities of micron-sized particles expected in the international fusion reactor design, ITER, will accumulate into piles and layers on surfaces, which are large relative to the individual particle size; thus, particle-particle, rather than particle-surface, interactions will determine the behavior of the material in bulk, and a continuum approach is necessary and justified in treating the phenomena of interest; e.g., particle resuspension and transport. The various constitutive relations that characterize these solid particle interactions in dense granular flows have been discussed previously, but prior to mobilization their behavior is not even fluid. Even in the absence of adhesive forces between particles, dust or sand piles can exist in static equilibrium under gravity and other forces, e.g., fluid shear. Their behavior is understood to be elastic, though not linear. The recent “granular elasticity” theory proposes a non-linear elastic model based on “Hertz contacts” between particles; the theory identifies the Coulomb yield condition as a requirement for thermodynamic stability, and has successfully reproduced experimental results for stress distributions in sand piles. The granular elasticity theory is developed and implemented in a stand- alone model and then implemented as part of a finite element model, ABAQUS, to determine the stress distributions in dust piles subjected to shear by a fluid flow. We identify yield with the onset of mobilization, and establish, for a given dust pile and flow geometry, the threshold pressure (force) conditions on the surface due to flow required to initiate it. While the granular elasticity theory applies strictly to cohesionless granular materials, attractive forces are clearly important in the interaction of

  17. Numerical modelling in material physics

    International Nuclear Information System (INIS)

    Proville, L.

    2004-12-01

    The author first briefly presents his past research activities: investigation of a dislocation sliding in solid solution by molecular dynamics, modelling of metal film growth by phase field and Monte Carlo kinetics, phase field model for surface self-organisation, phase field model for the Al 3 Zr alloy, calculation of anharmonic photons, mobility of bipolarons in superconductors. Then, he more precisely reports the mesoscopic modelling in phase field, and some atomistic modelling (dislocation sliding, Monte Carlo simulation of metal surface growth, anharmonic network optical spectrum modelling)

  18. Modeling Non-Linear Material Properties in Composite Materials

    Science.gov (United States)

    2016-06-28

    Technical Report ARWSB-TR-16013 MODELING NON-LINEAR MATERIAL PROPERTIES IN COMPOSITE MATERIALS Michael F. Macri Andrew G...REPORT TYPE Technical 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE MODELING NON-LINEAR MATERIAL PROPERTIES IN COMPOSITE MATERIALS ...systems are increasingly incorporating composite materials into their design. Many of these systems subject the composites to environmental conditions

  19. A BRDF statistical model applying to space target materials modeling

    Science.gov (United States)

    Liu, Chenghao; Li, Zhi; Xu, Can; Tian, Qichen

    2017-10-01

    In order to solve the problem of poor effect in modeling the large density BRDF measured data with five-parameter semi-empirical model, a refined statistical model of BRDF which is suitable for multi-class space target material modeling were proposed. The refined model improved the Torrance-Sparrow model while having the modeling advantages of five-parameter model. Compared with the existing empirical model, the model contains six simple parameters, which can approximate the roughness distribution of the material surface, can approximate the intensity of the Fresnel reflectance phenomenon and the attenuation of the reflected light's brightness with the azimuth angle changes. The model is able to achieve parameter inversion quickly with no extra loss of accuracy. The genetic algorithm was used to invert the parameters of 11 different samples in the space target commonly used materials, and the fitting errors of all materials were below 6%, which were much lower than those of five-parameter model. The effect of the refined model is verified by comparing the fitting results of the three samples at different incident zenith angles in 0° azimuth angle. Finally, the three-dimensional modeling visualizations of these samples in the upper hemisphere space was given, in which the strength of the optical scattering of different materials could be clearly shown. It proved the good describing ability of the refined model at the material characterization as well.

  20. EPR-based material modelling of soils

    Science.gov (United States)

    Faramarzi, Asaad; Alani, Amir M.

    2013-04-01

    In the past few decades, as a result of the rapid developments in computational software and hardware, alternative computer aided pattern recognition approaches have been introduced to modelling many engineering problems, including constitutive modelling of materials. The main idea behind pattern recognition systems is that they learn adaptively from experience and extract various discriminants, each appropriate for its purpose. In this work an approach is presented for developing material models for soils based on evolutionary polynomial regression (EPR). EPR is a recently developed hybrid data mining technique that searches for structured mathematical equations (representing the behaviour of a system) using genetic algorithm and the least squares method. Stress-strain data from triaxial tests are used to train and develop EPR-based material models for soil. The developed models are compared with some of the well-known conventional material models and it is shown that EPR-based models can provide a better prediction for the behaviour of soils. The main benefits of using EPR-based material models are that it provides a unified approach to constitutive modelling of all materials (i.e., all aspects of material behaviour can be implemented within a unified environment of an EPR model); it does not require any arbitrary choice of constitutive (mathematical) models. In EPR-based material models there are no material parameters to be identified. As the model is trained directly from experimental data therefore, EPR-based material models are the shortest route from experimental research (data) to numerical modelling. Another advantage of EPR-based constitutive model is that as more experimental data become available, the quality of the EPR prediction can be improved by learning from the additional data, and therefore, the EPR model can become more effective and robust. The developed EPR-based material models can be incorporated in finite element (FE) analysis.

  1. Integrated modelling in materials and process technology

    DEFF Research Database (Denmark)

    Hattel, Jesper Henri

    2008-01-01

    Integrated modelling of entire process sequences and the subsequent in-service conditions, and multiphysics modelling of the single process steps are areas that increasingly support optimisation of manufactured parts. In the present paper, three different examples of modelling manufacturing...... processes from the viewpoint of combined materials and process modelling are presented: solidification of thin walled ductile cast iron, integrated modelling of spray forming and multiphysics modelling of friction stir welding. The fourth example describes integrated modelling applied to a failure analysis...

  2. Modeling of materials supply, demand and prices

    Science.gov (United States)

    1982-01-01

    The societal, economic, and policy tradeoffs associated with materials processing and utilization, are discussed. The materials system provides the materials engineer with the system analysis required for formulate sound materials processing, utilization, and resource development policies and strategies. Materials system simulation and modeling research program including assessments of materials substitution dynamics, public policy implications, and materials process economics was expanded. This effort includes several collaborative programs with materials engineers, economists, and policy analysts. The technical and socioeconomic issues of materials recycling, input-output analysis, and technological change and productivity are examined. The major thrust areas in materials systems research are outlined.

  3. Fatigue modeling of materials with complex microstructures

    DEFF Research Database (Denmark)

    Qing, Hai; Mishnaevsky, Leon

    2011-01-01

    with the phenomenological model of fatigue damage growth. As a result, the fatigue lifetime of materials with complex structures can be determined as a function of the parameters of their structures. As an example, the fatigue lifetimes of wood modeled as a cellular material with multilayered, fiber reinforced walls were...

  4. Computer modelling of microporous materials

    NARCIS (Netherlands)

    Catlow, C.R.A.; Santen, van R.A.; Smit, B.

    2004-01-01

    Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the

  5. An improved interfacial bonding model for material interface modeling

    Science.gov (United States)

    Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

    2016-01-01

    An improved interfacial bonding model was proposed from potential function point of view to investigate interfacial interactions in polycrystalline materials. It characterizes both attractive and repulsive interfacial interactions and can be applied to model different material interfaces. The path dependence of work-of-separation study indicates that the transformation of separation work is smooth in normal and tangential direction and the proposed model guarantees the consistency of the cohesive constitutive model. The improved interfacial bonding model was verified through a simple compression test in a standard hexagonal structure. The error between analytical solutions and numerical results from the proposed model is reasonable in linear elastic region. Ultimately, we investigated the mechanical behavior of extrafibrillar matrix in bone and the simulation results agreed well with experimental observations of bone fracture. PMID:28584343

  6. Advancing Material Models for Automotive Forming Simulations

    International Nuclear Information System (INIS)

    Vegter, H.; An, Y.; Horn, C.H.L.J. ten; Atzema, E.H.; Roelofsen, M.E.

    2005-01-01

    Simulations in automotive industry need more advanced material models to achieve highly reliable forming and springback predictions. Conventional material models implemented in the FEM-simulation models are not capable to describe the plastic material behaviour during monotonic strain paths with sufficient accuracy. Recently, ESI and Corus co-operate on the implementation of an advanced material model in the FEM-code PAMSTAMP 2G. This applies to the strain hardening model, the influence of strain rate, and the description of the yield locus in these models. A subsequent challenge is the description of the material after a change of strain path.The use of advanced high strength steels in the automotive industry requires a description of plastic material behaviour of multiphase steels. The simplest variant is dual phase steel consisting of a ferritic and a martensitic phase. Multiphase materials also contain a bainitic phase in addition to the ferritic and martensitic phase. More physical descriptions of strain hardening than simple fitted Ludwik/Nadai curves are necessary.Methods to predict plastic behaviour of single-phase materials use a simple dislocation interaction model based on the formed cells structures only. At Corus, a new method is proposed to predict plastic behaviour of multiphase materials have to take hard phases into account, which deform less easily. The resulting deformation gradients create geometrically necessary dislocations. Additional micro-structural information such as morphology and size of hard phase particles or grains is necessary to derive the strain hardening models for this type of materials.Measurements available from the Numisheet benchmarks allow these models to be validated. At Corus, additional measured values are available from cross-die tests. This laboratory test can attain critical deformations by large variations in blank size and processing conditions. The tests are a powerful tool in optimising forming simulations prior

  7. Geochemistry Model Validation Report: Material Degradation and Release Model

    Energy Technology Data Exchange (ETDEWEB)

    H. Stockman

    2001-09-28

    The purpose of this Analysis and Modeling Report (AMR) is to validate the Material Degradation and Release (MDR) model that predicts degradation and release of radionuclides from a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. This AMR is prepared according to ''Technical Work Plan for: Waste Package Design Description for LA'' (Ref. 17). The intended use of the MDR model is to estimate the long-term geochemical behavior of waste packages (WPs) containing U. S . Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The model is intended to predict (1) the extent to which criticality control material, such as gadolinium (Gd), will remain in the WP after corrosion of the initial WP, (2) the extent to which fissile Pu and uranium (U) will be carried out of the degraded WP by infiltrating water, and (3) the chemical composition and amounts of minerals and other solids left in the WP. The results of the model are intended for use in criticality calculations. The scope of the model validation report is to (1) describe the MDR model, and (2) compare the modeling results with experimental studies. A test case based on a degrading Pu-ceramic WP is provided to help explain the model. This model does not directly feed the assessment of system performance. The output from this model is used by several other models, such as the configuration generator, criticality, and criticality consequence models, prior to the evaluation of system performance. This document has been prepared according to AP-3.10Q, ''Analyses and Models'' (Ref. 2), and prepared in accordance with the technical work plan (Ref. 17).

  8. Geochemistry Model Validation Report: Material Degradation and Release Model

    International Nuclear Information System (INIS)

    Stockman, H.

    2001-01-01

    The purpose of this Analysis and Modeling Report (AMR) is to validate the Material Degradation and Release (MDR) model that predicts degradation and release of radionuclides from a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. This AMR is prepared according to ''Technical Work Plan for: Waste Package Design Description for LA'' (Ref. 17). The intended use of the MDR model is to estimate the long-term geochemical behavior of waste packages (WPs) containing U. S . Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The model is intended to predict (1) the extent to which criticality control material, such as gadolinium (Gd), will remain in the WP after corrosion of the initial WP, (2) the extent to which fissile Pu and uranium (U) will be carried out of the degraded WP by infiltrating water, and (3) the chemical composition and amounts of minerals and other solids left in the WP. The results of the model are intended for use in criticality calculations. The scope of the model validation report is to (1) describe the MDR model, and (2) compare the modeling results with experimental studies. A test case based on a degrading Pu-ceramic WP is provided to help explain the model. This model does not directly feed the assessment of system performance. The output from this model is used by several other models, such as the configuration generator, criticality, and criticality consequence models, prior to the evaluation of system performance. This document has been prepared according to AP-3.10Q, ''Analyses and Models'' (Ref. 2), and prepared in accordance with the technical work plan (Ref. 17)

  9. Macroscopic properties of model disordered materials

    International Nuclear Information System (INIS)

    Knackstedt, M.A.; Roberts, A.P.

    1996-01-01

    Disordered materials are ubiquitous in nature and in industry. Soils, sedimentary rocks, wood, bone, polymer composites, foams, catalysts, gels, concretes and ceramics have properties that depend on material structure. Present techniques for predicting properties are limited by the theoretical and computational difficulty of incorporating a realistic description of material structure. A general model for microstructure was recently proposed by Berk [Berk, Phys.Rev.A, 44 5069 (1991)]. The model is based on level cuts of a Gaussian random field with arbitrary spectral density. The freedom in specifying the parameters of the model allows the modeling of physical materials with diverse morphological characteristics. We have shown that the model qualitatively accounts for the principal features of a wider variety of disordered materials including geologic media, membranes, polymer blends, ceramics and foams. Correlation functions are derived for the model microstructure. From this characterisation we derive mechanical and conductive properties of the materials. Excellent agreement with experimentally measured properties of disordered solids is obtained. The agreement provides a strong hint that it is now possible to correlate effective physical properties of porous solids to microstructure. Simple extensions to modelling properties of non-porous multicomponent blends; metal alloys, ceramics, metal/matrix and polymer composites are also discussed

  10. Problems in physical modeling of magnetic materials

    International Nuclear Information System (INIS)

    Della Torre, E.

    2004-01-01

    Physical modeling of magnetic materials should give insights into the basic processes involved and should be able to extrapolate results to new situations that the models were not necessarily intended to solve. Thus, for example, if a model is designed to describe a static magnetization curve, it should also be able to describe aspects of magnetization dynamics. Both micromagnetic modeling and Preisach modeling, the two most popular magnetic models, fulfill this requirement, but in the process of fulfilling this requirement, they both had to be modified in some ways. Hence, we should view physical modeling as an iterative process whereby we start with some simple assumptions and refine them as reality requires. In the process of refining these assumptions, we should try to appeal to physical arguments for the modifications, if we are to come up with good models. If we consider phenomenological models, on the other hand, that is as axiomatic models requiring no physical justification, we can follow them logically to see the end and examine the consequences of their assumptions. In this way, we can learn the properties, limitations and achievements of the particular model. Physical and phenomenological models complement each other in furthering our understanding of the behavior of magnetic materials

  11. Thermodynamic and kinetic modelling: creep resistant materials

    DEFF Research Database (Denmark)

    Hald, John; Korcakova, L.; Danielsen, Hilmar Kjartansson

    2008-01-01

    The use of thermodynamic and kinetic modelling of microstructure evolution in materials exposed to high temperatures in power plants is demonstrated with two examples. Precipitate stability in martensitic 9–12%Cr steels is modelled including equilibrium phase stability, growth of Laves phase part...

  12. Material modeling of biofilm mechanical properties.

    Science.gov (United States)

    Laspidou, C S; Spyrou, L A; Aravas, N; Rittmann, B E

    2014-05-01

    A biofilm material model and a procedure for numerical integration are developed in this article. They enable calculation of a composite Young's modulus that varies in the biofilm and evolves with deformation. The biofilm-material model makes it possible to introduce a modeling example, produced by the Unified Multi-Component Cellular Automaton model, into the general-purpose finite-element code ABAQUS. Compressive, tensile, and shear loads are imposed, and the way the biofilm mechanical properties evolve is assessed. Results show that the local values of Young's modulus increase under compressive loading, since compression results in the voids "closing," thus making the material stiffer. For the opposite reason, biofilm stiffness decreases when tensile loads are imposed. Furthermore, the biofilm is more compliant in shear than in compression or tension due to the how the elastic shear modulus relates to Young's modulus. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. Materials and techniques for model construction

    Science.gov (United States)

    Wigley, D. A.

    1985-01-01

    The problems confronting the designer of models for cryogenic wind tunnel models are discussed with particular reference to the difficulties in obtaining appropriate data on the mechanical and physical properties of candidate materials and their fabrication technologies. The relationship between strength and toughness of alloys is discussed in the context of maximizing both and avoiding the problem of dimensional and microstructural instability. All major classes of materials used in model construction are considered in some detail and in the Appendix selected numerical data is given for the most relevant materials. The stepped-specimen program to investigate stress-induced dimensional changes in alloys is discussed in detail together with interpretation of the initial results. The methods used to bond model components are considered with particular reference to the selection of filler alloys and temperature cycles to avoid microstructural degradation and loss of mechanical properties.

  14. Modeling ready biodegradability of fragrance materials.

    Science.gov (United States)

    Ceriani, Lidia; Papa, Ester; Kovarich, Simona; Boethling, Robert; Gramatica, Paola

    2015-06-01

    In the present study, quantitative structure activity relationships were developed for predicting ready biodegradability of approximately 200 heterogeneous fragrance materials. Two classification methods, classification and regression tree (CART) and k-nearest neighbors (kNN), were applied to perform the modeling. The models were validated with multiple external prediction sets, and the structural applicability domain was verified by the leverage approach. The best models had good sensitivity (internal ≥80%; external ≥68%), specificity (internal ≥80%; external 73%), and overall accuracy (≥75%). Results from the comparison with BIOWIN global models, based on group contribution method, show that specific models developed in the present study perform better in prediction than BIOWIN6, in particular for the correct classification of not readily biodegradable fragrance materials. © 2015 SETAC.

  15. Material Models for the Human Torso Finite Element Model

    Science.gov (United States)

    2018-04-04

    44-mm standard for body armors required ballistic tests of armor backed by Roma Plastilina clay . The scope has expanded to include hard armors as...conditions were not fully considered, and that the connections between the clay -backed deflections and goat lethality were preliminary results... viscosity component needed to represent organic tissue in the Mat77 material model. Material characterizations from the published literature were drawn

  16. A simulation model for material accounting systems

    International Nuclear Information System (INIS)

    Coulter, C.A.; Thomas, K.E.

    1987-01-01

    A general-purpose model that was developed to simulate the operation of a chemical processing facility for nuclear materials has been extended to describe material measurement and accounting procedures as well. The model now provides descriptors for material balance areas, a large class of measurement instrument types and their associated measurement errors for various classes of materials, the measurement instruments themselves with their individual calibration schedules, and material balance closures. Delayed receipt of measurement results (as for off-line analytical chemistry assay), with interim use of a provisional measurement value, can be accurately represented. The simulation model can be used to estimate inventory difference variances for processing areas that do not operate at steady state, to evaluate the timeliness of measurement information, to determine process impacts of measurement requirements, and to evaluate the effectiveness of diversion-detection algorithms. Such information is usually difficult to obtain by other means. Use of the measurement simulation model is illustrated by applying it to estimate inventory difference variances for two material balance area structures of a fictitious nuclear material processing line

  17. Materials for the nuclear - Modelling and simulation of structure materials

    International Nuclear Information System (INIS)

    Berthoud, Georges; Ducros, Gerard; Feron, Damien; Guerin, Yannick; Latge, Christian; Limoge, Yves; Santarini, Gerard; Seiler, Jean-Marie; Vernaz, Etienne; Cappelaere, Chantal; Andrieux, Catherine; Athenes, Manuel; Baldinozzi, Guido; Bechade, Jean-Luc; Bonin, Bernard; Boutard, Jean-Louis; Brechet, Yves; Bruneval, Fabien; Carassou, Sebastien; Castelier, Etienne; Chartier, Alain; Clouet, Emmanuel; Marinica, Mihai-Cosmin; Crocombette, Jean-Paul; Dupuy, Laurent; Forget, Pierre; Fu, Chu Chun; Garnier, Jerome; Gelebart, Lionel; Henry, Jean; Jourdan, Thomas; Luneville, Laurence; Marini, Bernard; Meslin, Estelle; Nastar, Maylise; Onimus, Fabien; Poussard, Christophe; Proville, Laurent; Ribis, Joel; Robertson, Christian; Rodney, David; Roma, Guido; Sauzay, Maxime; Simeone, David; Soisson, Frederic; Tanguy, Benoit; Toffolon-Masclet, Caroline; Trocellier, Patrick; Van Brutzel, Laurent; Ventelon, Usa; Vincent, Ludovic; Willaime, Francois; Yvon, Pascal; Behar, Christophe; Provitina, Olivier; Lecomte, Michael; Forestier, Alain; Bender, Alexandra; Parisot, Jean-Francois; Finot, Pierre

    2016-01-01

    This collective publication proposes presentations of scientific approaches implemented to model and simulate the behaviour of materials submitted to irradiation, of associated experimental methods, and of some recent important results. After an introduction presenting the various materials used in different types of nuclear reactors (PWR, etc.), the effects of irradiation at the macroscopic or at the atomic scale, and the multi-scale (time and space) approach to the modelling of these materials, a chapter proposes an overview of modelling tools: multi-scale approach, electronic calculations for condensed matter, inter-atomic potentials, molecular dynamics simulation, thermodynamic and medium force potentials, phase diagrams, simulation of primary damages in reactor materials, kinetic models, dislocation dynamics, production of microstructures for simulation, crystalline visco-plasticity, homogenization methods in continuum mechanics, local approach and probabilistic approach in material fracture. The next part presents tools for experimental validation: tools for microscopic characterization or for mechanical characterization, experimental reactors and tests in atomic pile, tools for irradiation by charged particles. The next chapters presents different examples of thermodynamic and kinetic modelling in the case of various alloys (zirconium alloys, iron-chromium alloys, silicon carbide, austenitic alloys), of plasticity and failure modelling

  18. A Sorption Hysteresis Model For Cellulosic Materials

    DEFF Research Database (Denmark)

    Frandsen, Henrik Lund; Damkilde, Lars

    2006-01-01

    The equilibrium concentration of adsorbed water in cellulosic materials is dependent on the history of the variations of vapor pressure in the ambient air, i.e. sorption hysteresis. Existing models to describe this phenomenon such as the independent domain theory have numerical drawbacks and....../or imply accounting for the entire history variations of every material point. This paper presents a sorption hysteresis model based on a state formulation and expressed in closed-form solutions, which makes it suitable for implementation into a numerical method....

  19. Numerical modeling of materials under extreme conditions

    CERN Document Server

    Brown, Eric

    2014-01-01

    The book presents twelve state of the art contributions in the field of numerical modeling of materials subjected to large strain, high strain rates, large pressure and high stress triaxialities, organized into two sections. The first part is focused on high strain rate-high pressures such as those occurring in impact dynamics and shock compression related phenomena, dealing with material response identification, advanced modeling incorporating microstructure and damage, stress waves propagation in solids and structures response under impact. The latter part is focused on large strain-low strain rates applications such as those occurring in technological material processing, dealing with microstructure and texture evolution, material response at elevated temperatures, structural behavior under large strain and multi axial state of stress.

  20. Numerical modeling in materials science and engineering

    CERN Document Server

    Rappaz, Michel; Deville, Michel

    2003-01-01

    This book introduces the concepts and methodologies related to the modelling of the complex phenomena occurring in materials processing. After a short reminder of conservation laws and constitutive relationships, the authors introduce the main numerical methods: finite differences, finite volumes and finite elements. These techniques are developed in three main chapters of the book that tackle more specific problems: phase transformation, solid mechanics and fluid flow. The two last chapters treat inverse methods to obtain the boundary conditions or the material properties and stochastic methods for microstructural simulation. This book is intended for undergraduate and graduate students in materials science and engineering, mechanical engineering and physics and for engineering professionals or researchers who want to get acquainted with numerical simulation to model and compute materials processing.

  1. Modelling of elasto-plastic material behaviour

    International Nuclear Information System (INIS)

    Halleux, J.P.

    1981-01-01

    The present report describes time-independent elasto-plastic material behaviour modelling techniques useful for implementation in fast structural dynamics computer programs. Elasto-plastic behaviour is characteristic for metallic materials such as steel and is thus of particular importance in the study of reactor safety-related problems. The classical time-independent elasto-plastic flow theory is recalled and the fundamental incremental stress-strain relationships are established for strain rate independent material behaviour. Some particular expressions useful in practice and including reversed loading are derived and suitable computational schemes are shwon. Modelling of strain rate effects is then taken into account, according to experimental data obtained from uniaxial tension tests. Finally qualitative strain rate history effects are considered. Applications are presented and illustrate both static and dynamic material behaviour

  2. Nonconvex Model of Material Growth: Mathematical Theory

    Science.gov (United States)

    Ganghoffer, J. F.; Plotnikov, P. I.; Sokolowski, J.

    2018-06-01

    The model of volumetric material growth is introduced in the framework of finite elasticity. The new results obtained for the model are presented with complete proofs. The state variables include the deformations, temperature and the growth factor matrix function. The existence of global in time solutions for the quasistatic deformations boundary value problem coupled with the energy balance and the evolution of the growth factor is shown. The mathematical results can be applied to a wide class of growth models in mechanics and biology.

  3. Modeling electrical dispersion phenomena in Earth materials

    Directory of Open Access Journals (Sweden)

    D. Patella

    2008-06-01

    Full Text Available It is illustrated that IP phenomena in rocks can be described using conductivity dispersion models deduced as solutions to a 2nd-order linear differential equation describing the motion of a charged particle immersed in an external electrical field. Five dispersion laws are discussed, namely: the non-resonant positive IP model, which leads to the classical Debye-type dispersion law and by extension to the Cole-Cole model, largely used in current practice; the non-resonant negative IP model, which allows negative chargeability values, known in metals at high frequencies, to be explained as an intrinsic physical property of earth materials in specific field cases; the resonant flat, positive or negative IP models, which can explain the presence of peak effects at specific frequencies superimposed on flat, positive or negative dispersion spectra.

  4. Global nuclear material flow/control model

    International Nuclear Information System (INIS)

    Dreicer, J.S.; Rutherford, D.S.; Fasel, P.K.; Riese, J.M.

    1997-01-01

    This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The nuclear danger can be reduced by a system for global management, protection, control, and accounting as part of an international regime for nuclear materials. The development of an international fissile material management and control regime requires conceptual research supported by an analytical and modeling tool which treats the nuclear fuel cycle as a complete system. The prototype model developed visually represents the fundamental data, information, and capabilities related to the nuclear fuel cycle in a framework supportive of national or an international perspective. This includes an assessment of the global distribution of military and civilian fissile material inventories, a representation of the proliferation pertinent physical processes, facility specific geographic identification, and the capability to estimate resource requirements for the management and control of nuclear material. The model establishes the foundation for evaluating the global production, disposition, and safeguards and security requirements for fissile nuclear material and supports the development of other pertinent algorithmic capabilities necessary to undertake further global nuclear material related studies

  5. Modelling irradiation effects in fusion materials

    DEFF Research Database (Denmark)

    Victoria, M.; Dudarev, S.; Boutard, J.L.

    2007-01-01

    We review the current status of the European fusion materials modelling programme. We describe recent findings and outline potential areas for future development. Large-scale density functional theory (DFT) calculations reveal the structure of the point defects in α-Fe, and highlight the crucial...

  6. Density functional theory and multiscale materials modeling

    Indian Academy of Sciences (India)

    One of the vital ingredients in the theoretical tools useful in materials modeling at all the length scales of interest is the concept of density. In the microscopic length scale, it is the electron density that has played a major role in providing a deeper understanding of chemical binding in atoms, molecules and solids.

  7. Modeling of sintering of functionally gradated materials

    International Nuclear Information System (INIS)

    Gasik, M.; Zhang, B.

    2001-01-01

    The functionally gradated materials (FGMs) are distinguished from isotropic materials by gradients of composition, phase distribution, porosity, and related properties. For FGMs made by powder metallurgy, sintering control is one of the most important factors. In this study sintering process of FGMs is modeled and simulated with a computer. A new modeling approach was used to formulate equation systems and the model for sintering of gradated hard metals, coupled with heat transfer and grain growth. A FEM module was developed to simulate FGM sintering in conventional, microwave and hybrid conditions, to calculate density, stress and temperature distribution. Behavior of gradated WC-Co hardmetal plate and cone specimens was simulated for various conditions, such as mean particle size, green density distribution and cobalt gradation parameter. The results show that the deformation behavior and stress history of graded powder compacts during heating, sintering and cooling could be predicted for optimization of sintering process. (author)

  8. Probabilistic Modeling of Graded Timber Material Properties

    DEFF Research Database (Denmark)

    Faber, M. H.; Köhler, J.; Sørensen, John Dalsgaard

    2004-01-01

    The probabilistic modeling of timber material characteristics is considered with special emphasis to the modeling of the effect of different quality control and selection procedures used as means for quality grading in the production line. It is shown how statistical models may be established...... on the basis of the same type of information which is normally collected as a part of the quality control procedures and furthermore, how the efficiency of different control procedures may be quantified and compared. The tail behavior of the probability distributions of timber material characteristics plays...... such that they may readily be applied in structural reliability analysis and their format appears to be appropriate for codification purposes of quality control and selection for grading procedures....

  9. Probabilistic Modelling of Timber Material Properties

    DEFF Research Database (Denmark)

    Nielsen, Michael Havbro Faber; Köhler, Jochen; Sørensen, John Dalsgaard

    2001-01-01

    The probabilistic modeling of timber material characteristics is considered with special emphasis to the modeling of the effect of different quality control and selection procedures used as means for grading of timber in the production line. It is shown how statistical models may be established...... on the basis of the same type of information which is normally collected as a part of the quality control procedures and furthermore, how the efficiency of different control procedures may be compared. The tail behavior of the probability distributions of timber material characteristics play an important role...... such that they may readily be applied in structural reliability analysis and the format appears to be appropriate for codification purposes of quality control and selection for grading procedures...

  10. Exactly solvable models of material breakdown

    International Nuclear Information System (INIS)

    Duxbury, P.M.; Leath, P.L.

    1994-01-01

    We present the solutions to two simple models for the brittle failure of materials containing random flaws. These solutions provide support for simple scaling theories we had previously developed for more complex models, and refute recent claims that models with random dilution scale in a manner similar to a disorderless material. In particular, we find that for these models, the asymptotic size effect in the average strength is logarithmic, and the failure distribution is of an exponential of an exponential form (often with an algebraic prefactor). The method of solution is also interesting. The failure probability of the quasi-one-dimensional models we solve can be written in terms of a transition matrix introduced by Harlow. For large sample sizes, the largest eigenvalue of this transition matrix approaches one, and our solution rests on a perturbative expansion of the largest eigenvalue about one. The small and intermediate lattice behavior of the model is analyzed by using sparse matrix methods to find the largest eigenvalue of the transition matrix, and the trace of powers of the transition matrix

  11. Timoshenko beam model for chiral materials

    Science.gov (United States)

    Ma, T. Y.; Wang, Y. N.; Yuan, L.; Wang, J. S.; Qin, Q. H.

    2018-06-01

    Natural and artificial chiral materials such as deoxyribonucleic acid (DNA), chromatin fibers, flagellar filaments, chiral nanotubes, and chiral lattice materials widely exist. Due to the chirality of intricately helical or twisted microstructures, such materials hold great promise for use in diverse applications in smart sensors and actuators, force probes in biomedical engineering, structural elements for absorption of microwaves and elastic waves, etc. In this paper, a Timoshenko beam model for chiral materials is developed based on noncentrosymmetric micropolar elasticity theory. The governing equations and boundary conditions for a chiral beam problem are derived using the variational method and Hamilton's principle. The static bending and free vibration problem of a chiral beam are investigated using the proposed model. It is found that chirality can significantly affect the mechanical behavior of beams, making materials more flexible compared with nonchiral counterparts, inducing coupled twisting deformation, relatively larger deflection, and lower natural frequency. This study is helpful not only for understanding the mechanical behavior of chiral materials such as DNA and chromatin fibers and characterizing their mechanical properties, but also for the design of hierarchically structured chiral materials.

  12. Molecular models and simulations of layered materials

    International Nuclear Information System (INIS)

    Kalinichev, Andrey G.; Cygan, Randall Timothy; Heinz, Hendrik; Greathouse, Jeffery A.

    2008-01-01

    The micro- to nano-sized nature of layered materials, particularly characteristic of naturally occurring clay minerals, limits our ability to fully interrogate their atomic dispositions and crystal structures. The low symmetry, multicomponent compositions, defects, and disorder phenomena of clays and related phases necessitate the use of molecular models and modern simulation methods. Computational chemistry tools based on classical force fields and quantum-chemical methods of electronic structure calculations provide a practical approach to evaluate structure and dynamics of the materials on an atomic scale. Combined with classical energy minimization, molecular dynamics, and Monte Carlo techniques, quantum methods provide accurate models of layered materials such as clay minerals, layered double hydroxides, and clay-polymer nanocomposites

  13. Device and materials modeling in PEM fuel cells

    National Research Council Canada - National Science Library

    Paddison, Stephen J; Promislow, Keith

    2009-01-01

    .... Materials modeling include subjects relating to the membrane and the catalyst such as proton conduction, atomistic structural modeling, quantum molecular dynamics, and molecular-level modeling...

  14. Quality quantification model of basic raw materials

    Directory of Open Access Journals (Sweden)

    Š. Vilamová

    2016-07-01

    Full Text Available Basic raw materials belong to the key input sources in the production of pig iron. The properties of basic raw materials can be evaluated using a variety of criteria. The essential ones include the physical and chemical properties. Current competitive pressures, however, force the producers of iron more and more often to include cost and logistic criteria into the decision-making process. In this area, however, they are facing a problem of how to convert a variety of vastly different parameters into one evaluation indicator in order to compare the available raw materials. This article deals with the analysis of a model created to evaluate the basic raw materials, which was designed as part of the research.

  15. Diffusion in condensed matter methods, materials, models

    CERN Document Server

    Kärger, Jörg

    2005-01-01

    Diffusion as the process of particle transport due to stochastic movement is a phenomenon of crucial relevance for a large variety of processes and materials. This comprehensive, handbook- style survey of diffusion in condensed matter gives detailed insight into diffusion as the process of particle transport due to stochastic movement. Leading experts in the field describe in 23 chapters the different aspects of diffusion, covering microscopic and macroscopic experimental techniques and exemplary results for various classes of solids, liquids and interfaces as well as several theoretical concepts and models. Students and scientists in physics, chemistry, materials science, and biology will benefit from this detailed compilation.

  16. Modelling irradiation effects in fusion materials

    International Nuclear Information System (INIS)

    Victoria, M.; Dudarev, S.; Boutard, J.L.; Diegele, E.; Laesser, R.; Almazouzi, A.; Caturla, M.J.; Fu, C.C.; Kaellne, J.; Malerba, L.; Nordlund, K.; Perlado, M.; Rieth, M.; Samaras, M.; Schaeublin, R.; Singh, B.N.; Willaime, F.

    2007-01-01

    We review the current status of the European fusion materials modelling programme. We describe recent findings and outline potential areas for future development. Large-scale density functional theory (DFT) calculations reveal the structure of the point defects in α-Fe, and highlight the crucial part played by magnetism. The calculations give accurate migration energies of point defects and the strength of their interaction with He atoms. Kinetic models based on DFT results reproduce the stages of radiation damage recovery in iron, and stages of He-desorption from pre-implanted iron. Experiments aimed at validating the models will be carried out in the future using a multi-beam ion irradiation facility chosen for its versatility and rapid feedback

  17. Modelling irradiation effects in fusion materials

    Energy Technology Data Exchange (ETDEWEB)

    Victoria, M. [Instituto de Fusion Nuclear, Universidad Politecnica de Madrid, c/Jose Gutierrez Abascal 2, 28006 Madrid (Spain); Dudarev, S. [EURATOM/UKAEA Fusion Association, Culham Science Centre, Oxfordshire OX14 3DB, UK and Department of Physics, Imperial College, Exhibition Road, London SW7 2AZ (United Kingdom); Boutard, J.L. [EFDA-CSU Garching, Boltzmannstrasse 2, D-85748 Garching (Germany)], E-mail: jean-louis.boutard@tech.efda.org; Diegele, E.; Laesser, R. [EFDA-CSU Garching, Boltzmannstrasse 2, D-85748 Garching (Germany); Almazouzi, A. [Structural Materials Expert Group, Nuclear Materials Science Institute, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium); Caturla, M.J. [Departamento de Fisica Aplicada, Universidad de Alicante, 03690 San Vicente de Raspeig (Spain); Fu, C.C. [Service de Metallurgie Physique, CEA/Saclay, F-91191 Gif sur Yvette Cedex (France); Kaellne, J. [Department of Engineering Sciences, Uppsala University, Box 534, S-751 21 Uppsala (Sweden); Malerba, L. [Structural Materials Expert Group, Nuclear Materials Science Institute, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium); Nordlund, K. [Association EURATOM-Tekes, Accelerator Laboratory, P.O. Box 43, 00014 University of Helsinki (Finland); Perlado, M. [Instituto de Fusion Nuclear, Universidad Politecnica de Madrid, c/Jose Gutierrez Abascal 2, 28006 Madrid (Spain); Rieth, M. [Forschungszentrum Karlsruhe, Institut fuer Materialforschung I, P.O. Box 3640, D-76021 Karlsruhe (Germany); Samaras, M. [Paul Scherrer Institute, Nuclear Energy and Safety Department, CH-5232 Villigen PSI (Switzerland); Schaeublin, R. [Ecole Polytechnique Federale de Lausanne (EPFL), Centre de Recherches en Physique des Plasmas, Association Euratom-Confederation Suisse, CH-5232 Villigen PSI (Switzerland); Singh, B.N. [Department of Materials Research, Risoe National Laboratory, DK-4000 Roskilde (Denmark); Willaime, F. [Service de Metallurgie Physique, CEA/Saclay, F-91191 Gif sur Yvette Cedex (France)

    2007-10-15

    We review the current status of the European fusion materials modelling programme. We describe recent findings and outline potential areas for future development. Large-scale density functional theory (DFT) calculations reveal the structure of the point defects in {alpha}-Fe, and highlight the crucial part played by magnetism. The calculations give accurate migration energies of point defects and the strength of their interaction with He atoms. Kinetic models based on DFT results reproduce the stages of radiation damage recovery in iron, and stages of He-desorption from pre-implanted iron. Experiments aimed at validating the models will be carried out in the future using a multi-beam ion irradiation facility chosen for its versatility and rapid feedback.

  18. Models and materials for generalized Kitaev magnetism

    Science.gov (United States)

    Winter, Stephen M.; Tsirlin, Alexander A.; Daghofer, Maria; van den Brink, Jeroen; Singh, Yogesh; Gegenwart, Philipp; Valentí, Roser

    2017-12-01

    The exactly solvable Kitaev model on the honeycomb lattice has recently received enormous attention linked to the hope of achieving novel spin-liquid states with fractionalized Majorana-like excitations. In this review, we analyze the mechanism proposed by Jackeli and Khaliullin to identify Kitaev materials based on spin-orbital dependent bond interactions and provide a comprehensive overview of its implications in real materials. We set the focus on experimental results and current theoretical understanding of planar honeycomb systems (Na2IrO3, α-Li2IrO3, and α-RuCl3), three-dimensional Kitaev materials (β- and γ-Li2IrO3), and other potential candidates, completing the review with the list of open questions awaiting new insights.

  19. Superficial tension: experimental model with simple materials

    Directory of Open Access Journals (Sweden)

    Tintori Ferreira, María Alejandra

    2012-09-01

    Full Text Available In this work appears a didactic offer based on an experimental activity using materials of very low cost, orientated to achieving that the student understand and interpret the phenomenon of superficial tension together with the importance of the modeling in sciences. It has as principal aim of education bring the student over to the mechanics of the static fluids and the intermolecular forces, combining scientific contents with questions near to the student what provides an additional motivation to the reflection of the scientific investigation.

  20. Management Model Applicable to Metallic Materials Industry

    Directory of Open Access Journals (Sweden)

    Adrian Ioana

    2013-02-01

    Full Text Available This paper presents an algorithmic analysis of the marketing mix in metallurgy. It also analyzes the main correlations and their optimizing possibilities through an efficient management. Thus, both the effect and the importance of the marketing mix, for components (the four “P-s” areanalyzed in the materials’ industry, but their correlations as well, with the goal to optimize the specific management. There are briefly presented the main correlations between the 4 marketing mix components (the 4 “P-s” for a product within the materials’ industry, including aspects regarding specific management.Keywords: Management Model, Materials Industry, Marketing Mix, Correlations.

  1. Colloid transport in model fracture filling materials

    Science.gov (United States)

    Wold, S.; Garcia-Garcia, S.; Jonsson, M.

    2010-12-01

    Colloid transport in model fracture filling materials Susanna Wold*, Sandra García-García and Mats Jonsson KTH Chemical Science and Engineering Royal Institute of Technology, SE-100 44 Stockholm, Sweden *Corresponding author: E-mail: wold@kth.se Phone: +46 8 790 6295 In colloid transport in water-bearing fractures, the retardation depends on interactions with the fracture surface by sorption or filtration. These mechanisms are difficult to separate. A rougher surface will give a larger area available for sorption, and also when a particle is physically hindered, it approaches the surface and enables further sorption. Sorption can be explained by electrostatics were the strongest sorption on minerals always is observed at pH below pHpzc (Filby et al., 2008). The adhesion of colloids to mineral surfaces is related to the surface roughness according to a recent study (Darbha et al., 2010). There is a large variation in the characteristics of water-bearing fractures in bedrock in terms of aperture distribution, flow velocity, surface roughness, mineral distributions, presence of fracture filling material, and biological and organic material, which is hard to implement in modeling. The aim of this work was to study the transport of negatively charged colloids in model fracture filling material in relation to flow, porosity, mineral type, colloid size, and surface charge distribution. In addition, the impact on transport of colloids of mixing model fracture filling materials with different retention and immobilization capacities, determined by batch sorption experiments, was investigated. The transport of Na-montmorillonite colloids and well-defined negatively charged latex microspheres of 50, 100, and 200 nm diameter were studied in either columns containing quartz or quartz mixed with biotite. The ionic strength in the solution was exclusively 0.001 and pH 6 or 8.5. The flow rates used were 0.002, 0.03, and 0.6 mL min-1. Sorption of the colloids on the model fracture

  2. Modeling Emerging Solar Cell Materials and Devices

    Science.gov (United States)

    Thongprong, Non

    Organic photovoltaics (OPVs) and perovskite solar cells are emerging classes of solar cell that are promising for clean energy alternatives to fossil fuels. Understanding fundamental physics of these materials is crucial for improving their energy conversion efficiencies and promoting them to practical applications. Current density-voltage (JV) curves; which are important indicators of OPV efficiency, have direct connections to many fundamental properties of solar cells. They can be described by the Shockley diode equation, resulting in fitting parameters; series and parallel resistance (Rs and Rp), diode saturation current ( J0) and ideality factor (n). However, the Shockley equation was developed specifically for inorganic p-n junction diodes, so it lacks physical meanings when it is applied to OPVs. Hence, the puRposes of this work are to understand the fundamental physics of OPVs and to develop new diode equations in the same form as the Shockley equation that are based on OPV physics. We develop a numerical drift-diffusion simulation model to study bilayer OPVs, which will be called the drift-diffusion for bilayer interface (DD-BI) model. The model solves Poisson, drift-diffusion and current-continuity equations self-consistently for charge densities and potential profiles of a bilayer device with an organic heterojunction interface described by the GWWF model. We also derive new diode equations that have JV curves consistent with the DD-BI model and thus will be called self-consistent diode (SCD) equations. Using the DD-BI and the SCD model allows us to understand working principles of bilayer OPVs and physical definitions of the Shockley parameters. Due to low carrier mobilities in OPVs, space charge accumulation is common especially near the interface and electrodes. Hence, quasi-Fermi levels (i.e. chemical potentials), which depend on charge densities, are modified around the interface, resulting in a splitting of quasi-Fermi levels that works as a driving

  3. Micromechanical models for graded composite materials

    DEFF Research Database (Denmark)

    Reiter, T; Dvorak, G.J.; Tvergaard, Viggo

    1997-01-01

    of piecewise homogeneous layers with equivalent elastic properties estimated by Mori-Tanaka and self-consistent methods are also analysed under similar boundary conditions. Comparisons of the overall and local fields predicted by the discrete and homogenized models are made using a C/SiC composite system...... fields are predicted by Mori-Tanaka estimates. On the other hand, the response of graded materials with a skeletal microstructure in a wide transition zone between clearly defined matrix phases is better approximated by the self-consistent estimates. Certain exceptions are noted for loading by overall...... transverse shear stress; The results suggest that the averaging methods originally developed for statistically homogeneous aggregates may be selectively applied, with a reasonable degree of confidence, to aggregates dth composition gradients, subjected to both uniform and nonuniform overall loads. (C) 1997...

  4. Modelling of water permeability in cementitious materials

    DEFF Research Database (Denmark)

    Guang, Ye; Lura, Pietro; van Breugel, K.

    2006-01-01

    This paper presents a network model to predict the permeability of cement paste from a numerical simulation of its microstructure. Based on a linked list pore network structure, the effective hydraulic conductivity is estimated and the fluid flow is calculated according to the Hagen-Poiseuille law....... The pressure gradient at all nodes is calculated with the Gauss elimination method and the absolute permeability of the pore network is calculated directly from Darcy's law. Finally, the permeability model is validated by comparison with direct water permeability measurements. According to this model...

  5. An automata model of granular materials

    International Nuclear Information System (INIS)

    Gutt, G.M.; Haff, P.K.

    1990-01-01

    In this paper a new modeling technique (the Lattice Grain Model) is presented for the simulation of two-dimensional granular systems involving large numbers of grains. These granular systems may include both high shear rate regions as well as static plugs of grains and cannot easily be handled within the framework of existing continuum theories such as soil mechanics. The Lattice Grain Model (LGrM) is similar to the Lattice Gas Model (LBM). This allows large simulations to be programmed onto a hypercube concurrent processor in a straightforward manner. However, it differs from LBM in that it includes the inelastic collisions and volume-filling properties of macroscopic grains. Examples to be presented will include Couette flow, flow through an hourglass, and gravity-driven flows around obstacles

  6. Stochastic Multiscale Modeling of Polycrystalline Materials

    Science.gov (United States)

    2013-01-01

    The single-grid strategy is adopted. The crystal visco-plastic constitutive model proposed in [7] along with a Voce type hardening model described...in [97] is used with γ̇0 = 1s−1 and m = 0.1. The parameters in the Voce type hardening law are selected according to [97]: κ0 = 47.0MPa, κ1 = 86.0MPa

  7. Modeling of Landslides with the Material Point Method

    DEFF Research Database (Denmark)

    Andersen, Søren Mikkel; Andersen, Lars

    2008-01-01

    A numerical model for studying the dynamic evolution of landslides is presented. The numerical model is based on the Generalized Interpolation Material Point Method. A simplified slope with a house placed on top is analysed. An elasto-plastic material model based on the Mohr-Coulomb yield criterion...

  8. Modelling of Landslides with the Material-point Method

    DEFF Research Database (Denmark)

    Andersen, Søren; Andersen, Lars

    2009-01-01

    A numerical model for studying the dynamic evolution of landslides is presented. The numerical model is based on the Generalized Interpolation Material Point Method. A simplified slope with a house placed on top is analysed. An elasto-plastic material model based on the Mohr-Coulomb yield criterion...

  9. A material model for aluminium sheet forming at elevated temperatures

    NARCIS (Netherlands)

    van den Boogaard, Antonius H.; Werkhoven, R.J.; Bolt, P.J.

    2001-01-01

    In order to accurately simulate the deep drawing or stretching of aluminum sheet at elevated temperatures, a model is required that incorporates the temperature and strain-rate dependency of the material. In this paper two models are compared: a phenomenological material model in which the

  10. Generalized continua as models for classical and advanced materials

    CERN Document Server

    Forest, Samuel

    2016-01-01

    This volume is devoted to an actual topic which is the focus world-wide of various research groups. It contains contributions describing the material behavior on different scales, new existence and uniqueness theorems, the formulation of constitutive equations for advanced materials. The main emphasis of the contributions is directed on the following items - Modelling and simulation of natural and artificial materials with significant microstructure, - Generalized continua as a result of multi-scale models, - Multi-field actions on materials resulting in generalized material models, - Theories including higher gradients, and - Comparison with discrete modelling approaches.

  11. Modelling airborne dispersion of coarse particulate material

    International Nuclear Information System (INIS)

    Apsley, D.D.

    1989-03-01

    Methods of modelling the airborne dispersion and deposition of coarse particulates are presented, with the emphasis on the heavy particles identified as possible constituents of releases from damaged AGR fuel. The first part of this report establishes the physical characteristics of the irradiated particulate in airborne emissions from AGR stations. The second part is less specific and describes procedures for extending current dispersion/deposition models to incorporate a coarse particulate component: the adjustment to plume spread parameters, dispersion from elevated sources and dispersion in conjunction with building effects and plume rise. (author)

  12. Device and materials modeling in PEM fuel cells

    CERN Document Server

    Promislow, Keith

    2009-01-01

    Device and Materials Modeling in PEM Fuel Cells is a specialized text that compiles the mathematical details and results of both device and materials modeling in a single volume. Proton exchange membrane (PEM) fuel cells will likely have an impact on our way of life similar to the integrated circuit. The potential applications range from the micron scale to large scale industrial production. Successful integration of PEM fuel cells into the mass market will require new materials and a deeper understanding of the balance required to maintain various operational states. This book contains articles from scientists who contribute to fuel cell models from both the materials and device perspectives. Topics such as catalyst layer performance and operation, reactor dynamics, macroscopic transport, and analytical models are covered under device modeling. Materials modeling include subjects relating to the membrane and the catalyst such as proton conduction, atomistic structural modeling, quantum molecular dynamics, an...

  13. Modeling release of chemicals from multilayer materials into food

    Directory of Open Access Journals (Sweden)

    Huang Xiu-Ling

    2016-01-01

    Full Text Available The migration of chemicals from materials into food is predictable by various mathematical models. In this article, a general mathematical model is developed to quantify the release of chemicals through multilayer packaging films based on Fick's diffusion. The model is solved numerically to elucidate the effects of different diffusivity values of different layers, distribution of chemical between two adjacent layers and between material and food, mass transfer at the interface of material and food on the migration process.

  14. Method and apparatus for modeling, visualization and analysis of materials

    KAUST Repository

    Aboulhassan, Amal; Hadwiger, Markus

    2016-01-01

    processor and based on the received data, geometric features of the material. The example method further includes extracting, by the processor, particle paths within the material based on the computed geometric features, and geometrically modeling

  15. Laser interaction with biological material mathematical modeling

    CERN Document Server

    Kulikov, Kirill

    2014-01-01

    This book covers the principles of laser interaction with biological cells and tissues of varying degrees of organization. The problems of biomedical diagnostics are considered. Scattering of laser irradiation of blood cells is modeled for biological structures (dermis, epidermis, vascular plexus). An analytic theory is provided which is based on solving the wave equation for the electromagnetic field. It allows the accurate analysis of interference effects arising from the partial superposition of scattered waves. Treated topics of mathematical modeling are: optical characterization of biological tissue with large-scale and small-scale inhomogeneities in the layers, heating blood vessel under laser irradiation incident on the outer surface of the skin and thermo-chemical denaturation of biological structures at the example of human skin.

  16. Applications of Molecular and Materials Modeling

    Science.gov (United States)

    2002-01-01

    Chimica Industriale Molecular modeling of solvation Prof. Jacopo Tomasi http://www.dcci.unipi.it/attivita /attivita.html; http://www.dcci.unipi.it...solutions/ cases/notes/scale.html BNFL Sorption of gases in zeolites Dr. Scott L. Owens http://www.bnfl.co.uk/ BAE (British Aerospace Engineering) Rare...permeation of gases ; adhesion and interfacial interactions of siloxane networks; chemical reactivity and catalysis; environmental and cosmetics

  17. Magnetic materials and 3D finite element modeling

    CERN Document Server

    Bastos, Joao Pedro A

    2014-01-01

    Magnetic Materials and 3D Finite Element Modeling explores material characterization and finite element modeling (FEM) applications. This book relates to electromagnetic analysis based on Maxwell’s equations and application of the finite element (FE) method to low frequency devices. A great source for senior undergraduate and graduate students in electromagnetics, it also supports industry professionals working in magnetics, electromagnetics, ferromagnetic materials science and electrical engineering. The authors present current concepts on ferromagnetic material characterizations and losses. They provide introductory material; highlight basic electromagnetics, present experimental and numerical modeling related to losses and focus on FEM applied to 3D applications. They also explain various formulations, and discuss numerical codes.

  18. An efficient descriptor model for designing materials for solar cells

    Science.gov (United States)

    Alharbi, Fahhad H.; Rashkeev, Sergey N.; El-Mellouhi, Fedwa; Lüthi, Hans P.; Tabet, Nouar; Kais, Sabre

    2015-11-01

    An efficient descriptor model for fast screening of potential materials for solar cell applications is presented. It works for both excitonic and non-excitonic solar cells materials, and in addition to the energy gap it includes the absorption spectrum (α(E)) of the material. The charge transport properties of the explored materials are modelled using the characteristic diffusion length (Ld) determined for the respective family of compounds. The presented model surpasses the widely used Scharber model developed for bulk heterojunction solar cells. Using published experimental data, we show that the presented model is more accurate in predicting the achievable efficiencies. To model both excitonic and non-excitonic systems, two different sets of parameters are used to account for the different modes of operation. The analysis of the presented descriptor model clearly shows the benefit of including α(E) and Ld in view of improved screening results.

  19. Molecular modeling and multiscaling issues for electronic material applications

    CERN Document Server

    Iwamoto, Nancy; Yuen, Matthew; Fan, Haibo

    Volume 1 : Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications.  Part I presents  the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue.  Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example ...

  20. Application of Metamodels to Identification of Metallic Materials Models

    OpenAIRE

    Pietrzyk, Maciej; Kusiak, Jan; Szeliga, Danuta; Rauch, Łukasz; Sztangret, Łukasz; Górecki, Grzegorz

    2016-01-01

    Improvement of the efficiency of the inverse analysis (IA) for various material tests was the objective of the paper. Flow stress models and microstructure evolution models of various complexity of mathematical formulation were considered. Different types of experiments were performed and the results were used for the identification of models. Sensitivity analysis was performed for all the models and the importance of parameters in these models was evaluated. Metamodels based on artificial ne...

  1. A whole range hygric material model: Modelling liquid and vapour transport properties in porous media

    DEFF Research Database (Denmark)

    Scheffler, Gregor Albrecht; Plagge, Rudolf

    2010-01-01

    This paper addresses the modelling of hygric material coefficients bridging the gap between measured material properties and the non-linear storage and transport coefficients in the transfer equation. The conductivity approach and a bundle of tubes model are the basis. By extending this model wit...

  2. Material characterization models and test methods for historic building materials

    DEFF Research Database (Denmark)

    Hansen, Tessa Kvist; Peuhkuri, Ruut Hannele; Møller, Eva B.

    2017-01-01

    Predictions of long term hygrothermal performance can be assessed by dynamic hygrothermal simulations, in which material parameters are crucial input. Material parameters for especially historic materials are often unknown; therefore, there is a need to determine important parameters, and simple...

  3. A MODEL OF EFL LISTENING MATERIALS DEVELOPMENT

    Directory of Open Access Journals (Sweden)

    Mochamad Zaenuri

    2015-12-01

    Full Text Available In oral communication, listening skill is important because communication does not take place successfully if the message stated is not understood. To master the skill, learners should learn it. Therefore, good listening materials are needed. However, English teachers often find it difficult to teach listening skills because the listening materials are not adequately available. Besides, if the materials are available, they are not appropriate with the students’ needs and the curriculum. In that case, English teachers need to develop listening materials by themselves. For this, they should have knowledge of materials development. This paper presents ideas and tips for English teachers how to develop good and applicable listening materials.

  4. Modelling of the high temperature behaviour of metallic materials

    International Nuclear Information System (INIS)

    Mohr, R.

    1999-01-01

    The design of components of metallic high-temperature materials by the finite element method requires the application of phenomenological viscoplastic material models. The route from the choice of a convenient model, the numerical integration of the equations and the parameter identification to the design of components is described. The Chaboche-model is used whose evolution equations are explicitly integrated. The parameters are determined by graphical and numerical methods in order to use the material model for describing the deformation behaviour of a chromium steel and an intermetallic titanium aluminide alloy. (orig.)

  5. Advanced Electric and Magnetic Material Models for FDTD Electromagnetic Codes

    CERN Document Server

    Poole, Brian R; Nelson, Scott D

    2005-01-01

    The modeling of dielectric and magnetic materials in the time domain is required for pulse power applications, pulsed induction accelerators, and advanced transmission lines. For example, most induction accelerator modules require the use of magnetic materials to provide adequate Volt-sec during the acceleration pulse. These models require hysteresis and saturation to simulate the saturation wavefront in a multipulse environment. In high voltage transmission line applications such as shock or soliton lines the dielectric is operating in a highly nonlinear regime, which requires nonlinear models. Simple 1-D models are developed for fast parameterization of transmission line structures. In the case of nonlinear dielectrics, a simple analytic model describing the permittivity in terms of electric field is used in a 3-D finite difference time domain code (FDTD). In the case of magnetic materials, both rate independent and rate dependent Hodgdon magnetic material models have been implemented into 3-D FDTD codes an...

  6. An optimization model for transportation of hazardous materials

    International Nuclear Information System (INIS)

    Seyed-Hosseini, M.; Kheirkhah, A. S.

    2005-01-01

    In this paper, the optimal routing problem for transportation of hazardous materials is studied. Routing for the purpose of reducing the risk of transportation of hazardous materials has been studied and formulated by many researcher and several routing models have been presented up to now. These models can be classified into the categories: the models for routing a single movement and the models for routing multiple movements. In this paper, according to the current rules and regulations of road transportations of hazardous materials in Iran, a routing problem is designed. In this problem, the routs for several independent movements are simultaneously determined. To examine the model, the problem the transportations of two different dangerous materials in the road network of Mazandaran province in the north of Iran is formulated and solved by applying Integer programming model

  7. ADVANCED ELECTRIC AND MAGNETIC MATERIAL MODELS FOR FDTD ELECTROMAGNETIC CODES

    Energy Technology Data Exchange (ETDEWEB)

    Poole, B R; Nelson, S D; Langdon, S

    2005-05-05

    The modeling of dielectric and magnetic materials in the time domain is required for pulse power applications, pulsed induction accelerators, and advanced transmission lines. For example, most induction accelerator modules require the use of magnetic materials to provide adequate Volt-sec during the acceleration pulse. These models require hysteresis and saturation to simulate the saturation wavefront in a multipulse environment. In high voltage transmission line applications such as shock or soliton lines the dielectric is operating in a highly nonlinear regime, which require nonlinear models. Simple 1-D models are developed for fast parameterization of transmission line structures. In the case of nonlinear dielectrics, a simple analytic model describing the permittivity in terms of electric field is used in a 3-D finite difference time domain code (FDTD). In the case of magnetic materials, both rate independent and rate dependent Hodgdon magnetic material models have been implemented into 3-D FDTD codes and 1-D codes.

  8. ADVANCED ELECTRIC AND MAGNETIC MATERIAL MODELS FOR FDTD ELECTROMAGNETIC CODES

    International Nuclear Information System (INIS)

    Poole, B R; Nelson, S D; Langdon, S

    2005-01-01

    The modeling of dielectric and magnetic materials in the time domain is required for pulse power applications, pulsed induction accelerators, and advanced transmission lines. For example, most induction accelerator modules require the use of magnetic materials to provide adequate Volt-sec during the acceleration pulse. These models require hysteresis and saturation to simulate the saturation wavefront in a multipulse environment. In high voltage transmission line applications such as shock or soliton lines the dielectric is operating in a highly nonlinear regime, which require nonlinear models. Simple 1-D models are developed for fast parameterization of transmission line structures. In the case of nonlinear dielectrics, a simple analytic model describing the permittivity in terms of electric field is used in a 3-D finite difference time domain code (FDTD). In the case of magnetic materials, both rate independent and rate dependent Hodgdon magnetic material models have been implemented into 3-D FDTD codes and 1-D codes

  9. Quality Assurance Model for Digital Adult Education Materials

    Science.gov (United States)

    Dimou, Helen; Kameas, Achilles

    2016-01-01

    Purpose: This paper aims to present a model for the quality assurance of digital educational material that is appropriate for adult education. The proposed model adopts the software quality standard ISO/IEC 9126 and takes into account adult learning theories, Bloom's taxonomy of learning objectives and two instructional design models: Kolb's model…

  10. Method and apparatus for modeling, visualization and analysis of materials

    KAUST Repository

    Aboulhassan, Amal

    2016-08-25

    A method, apparatus, and computer readable medium are provided for modeling of materials and visualization of properties of the materials. An example method includes receiving data describing a set of properties of a material, and computing, by a processor and based on the received data, geometric features of the material. The example method further includes extracting, by the processor, particle paths within the material based on the computed geometric features, and geometrically modeling, by the processor, the material using the geometric features and the extracted particle paths. The example method further includes generating, by the processor and based on the geometric modeling of the material, one or more visualizations regarding the material, and causing display, by a user interface, of the one or more visualizations.

  11. CFD Modeling and Simulation in Materials Processing 2018

    OpenAIRE

    Nastac, Laurentiu; Pericleous, Koulis; Sabau, Adrian S.; Zhang, Lifeng; Thomas, Brian G.

    2018-01-01

    This book contains the proceedings of the symposium “CFD Modeling and Simulation in Materials Processing” held at the TMS 2018 Annual Meeting & Exhibition in Phoenix, Arizona, USA, March 11–15, 2018. This symposium dealt with computational fluid dynamics (CFD) modeling and simulation of engineering processes. The papers published in this book were requested from researchers and engineers involved in the modeling of multiscale and multiphase phenomena in material processing systems. The sympos...

  12. Compendium of Material Composition Data for Radiation Transport Modeling

    International Nuclear Information System (INIS)

    Williams, Ralph G.; Gesh, Christopher J.; Pagh, Richard T.

    2006-01-01

    Computational modeling of radiation transport problems including homeland security, radiation shielding and protection, and criticality safety all depend upon material definitions. This document has been created to serve two purposes: (1) to provide a quick reference of material compositions for analysts and (2) a standardized reference to reduce the differences between results from two independent analysts. Analysts are always encountering a variety of materials for which elemental definitions are not readily available or densities are not defined. This document provides a location where unique or hard to define materials will be located to reduce duplication in research for modeling purposes. Additionally, having a common set of material definitions helps to standardize modeling across PNNL and provide two separate researchers the ability to compare different modeling results from a common materials basis.

  13. Overhead longwave infrared hyperspectral material identification using radiometric models

    Energy Technology Data Exchange (ETDEWEB)

    Zelinski, M. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2018-01-09

    Material detection algorithms used in hyperspectral data processing are computationally efficient but can produce relatively high numbers of false positives. Material identification performed as a secondary processing step on detected pixels can help separate true and false positives. This paper presents a material identification processing chain for longwave infrared hyperspectral data of solid materials collected from airborne platforms. The algorithms utilize unwhitened radiance data and an iterative algorithm that determines the temperature, humidity, and ozone of the atmospheric profile. Pixel unmixing is done using constrained linear regression and Bayesian Information Criteria for model selection. The resulting product includes an optimal atmospheric profile and full radiance material model that includes material temperature, abundance values, and several fit statistics. A logistic regression method utilizing all model parameters to improve identification is also presented. This paper details the processing chain and provides justification for the algorithms used. Several examples are provided using modeled data at different noise levels.

  14. SYNTHESIS OF VISCOELASTIC MATERIAL MODELS (SCHEMES

    Directory of Open Access Journals (Sweden)

    V. Bogomolov

    2014-10-01

    Full Text Available The principles of structural viscoelastic schemes construction for materials with linear viscoelastic properties in accordance with the given experimental data on creep tests are analyzed. It is shown that there can be only four types of materials with linear visco-elastic properties.

  15. Dynamic Materials do the Trick in Participatory Business Modeling

    DEFF Research Database (Denmark)

    Caglio, Agnese; Buur, Jacob

    In this position paper we suggest that design material with dynamic behaviour is particularly suited to scaffold groups of diverse participants in discussing the ‘if – then’ causalities of business models. Based on video data from a number of innovation project workshops we present a comparison...... matrix of five different material types for participatory business modeling. The comparison matrix highlights patterns in the use of materials, and how they allow people to participate, negotiate and make meaning....

  16. Modeling Thermal Ignition of Energetic Materials

    National Research Council Canada - National Science Library

    Gerri, Norman J; Berning, Ellen

    2004-01-01

    This report documents an attempt to computationally simulate the mechanics and thermal regimes created when a threat perforates an armor envelope and comes in contact with stowed energetic material...

  17. Toward Modeling Limited Plasticity in Ceramic Materials

    National Research Council Canada - National Science Library

    Grinfeld, Michael; Schoenfeld, Scott E; Wright, Tim W

    2008-01-01

    The characteristic features of many armor-related ceramic materials are the anisotropy on the micro-scale level and the very limited, though non-vanishing, plasticity due to limited number of the planes for plastic slip...

  18. from First-principles study to Materials Modeling Tanusri Saha ...

    Indian Academy of Sciences (India)

    MOTIVATION. • Novel materials are key to new technologies. • Modeling is playing an ever increasing role in the search for new materials. • The chemistry controls the physical properties (e.g. electrical, magnetic, and optical properties) of materials. At the root of all are the Electrons! . – p.3/25 ...

  19. Material Ecocriticism: Materiality, Agency, and Models of Narrativity

    Directory of Open Access Journals (Sweden)

    Serenella Iovino

    2012-01-01

    Full Text Available The proliferation of studies bearing on the intellectual movement known as the "new materialisms" evinces that a material turn is becoming an important paradigm in environmental humanities. Ranging from social and science studies, feminism, to anthropology, geography, environmental philosophies and animal studies, this approach is bringing innovative ways of considering matter and material relations that, coupled with reflections on agency, text, and narrativity, are going to impact ecocriticism in an unprecedented way.In consideration of the relevance of this debate, we would like to draw for Ecozon@'s readers an introductory map of the new paradigm and introduce what can be called "material ecocriticism." We will illustrate what we consider to be its main features, situating them in the conceptual horizons of the new materialisms. From this genealogical sketch, we will examine the re-definitions of concepts like matter, agency, discursivity, and intentionality, with regard to their effects on ecocriticism and in terms of their ethical perspectives.

  20. A new approach for modeling composite materials

    Science.gov (United States)

    Alcaraz de la Osa, R.; Moreno, F.; Saiz, J. M.

    2013-03-01

    The increasing use of composite materials is due to their ability to tailor materials for special purposes, with applications evolving day by day. This is why predicting the properties of these systems from their constituents, or phases, has become so important. However, assigning macroscopical optical properties for these materials from the bulk properties of their constituents is not a straightforward task. In this research, we present a spectral analysis of three-dimensional random composite typical nanostructures using an Extension of the Discrete Dipole Approximation (E-DDA code), comparing different approaches and emphasizing the influences of optical properties of constituents and their concentration. In particular, we hypothesize a new approach that preserves the individual nature of the constituents introducing at the same time a variation in the optical properties of each discrete element that is driven by the surrounding medium. The results obtained with this new approach compare more favorably with the experiment than previous ones. We have also applied it to a non-conventional material composed of a metamaterial embedded in a dielectric matrix. Our version of the Discrete Dipole Approximation code, the EDDA code, has been formulated specifically to tackle this kind of problem, including materials with either magnetic and tensor properties.

  1. Modeling volatile organic compounds sorption on dry building materials using double-exponential model

    International Nuclear Information System (INIS)

    Deng, Baoqing; Ge, Di; Li, Jiajia; Guo, Yuan; Kim, Chang Nyung

    2013-01-01

    A double-exponential surface sink model for VOCs sorption on building materials is presented. Here, the diffusion of VOCs in the material is neglected and the material is viewed as a surface sink. The VOCs concentration in the air adjacent to the material surface is introduced and assumed to always maintain equilibrium with the material-phase concentration. It is assumed that the sorption can be described by mass transfer between the room air and the air adjacent to the material surface. The mass transfer coefficient is evaluated from the empirical correlation, and the equilibrium constant can be obtained by linear fitting to the experimental data. The present model is validated through experiments in small and large test chambers. The predicted results accord well with the experimental data in both the adsorption stage and desorption stage. The model avoids the ambiguity of model constants found in other surface sink models and is easy to scale up

  2. Modeling the dynamic crush of impact mitigating materials

    International Nuclear Information System (INIS)

    Logan, R.W.; McMichael, L.D.

    1995-01-01

    Crushable materials are commonly utilized in the design of structural components to absorb energy and mitigate shock during the dynamic impact of a complex structure, such as an automobile chassis or drum-type shipping container. The development and application of several finite-element material models which have been developed at various times at LLNL for DYNA3D will be discussed. Between the models, they are able to account for several of the predominant mechanisms which typically influence the dynamic mechanical behavior of crushable materials. One issue we addressed was that no single existing model would account for the entire gambit of constitutive features which are important for crushable materials. Thus, we describe the implementation and use of an additional material model which attempts to provide a more comprehensive model of the mechanics of crushable material behavior. This model combines features of the pre-existing DYNA models and incorporates some new features as well in an invariant large-strain formulation. In addition to examining the behavior of a unit cell in uniaxial compression, two cases were chosen to evaluate the capabilities and accuracy of the various material models in DYNA. In the first case, a model for foam filled box beams was developed and compared to test data from a 4-point bend test. The model was subsequently used to study its effectiveness in energy absorption in an aluminum extrusion, spaceframe, vehicle chassis. The second case examined the response of the AT-400A shipping container and the performance of the overpack material during accident environments selected from 10CFR71 and IAEA regulations

  3. Non-local modeling of materials

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof

    2002-01-01

    Numerical studies of non-local plasticity effects on different materials and problems are carried out. Two different theories are used. One is of lower order in that it retains the structure of a conventional plasticity boundary value problem, while the other is of higher order and employs higher...... order stresses as work conjugates to higher order strains and uses higher order boundary conditions. The influence of internal material length parameters is studied, and the effects of higher order boundary conditions are analyzed. The focus of the thesis is on metal-matrix composites, and non...

  4. Models and Methods for Free Material Optimization

    DEFF Research Database (Denmark)

    Weldeyesus, Alemseged Gebrehiwot

    Free Material Optimization (FMO) is a powerful approach for structural optimization in which the design parametrization allows the entire elastic stiffness tensor to vary freely at each point of the design domain. The only requirement imposed on the stiffness tensor lies on its mild necessary...

  5. RADIOACTIVE MATERIALS IN BIOSOLIDS: DOSE MODELING

    Science.gov (United States)

    The Interagency Steering Committee on Radiation Standards (ISCORS) has recently completed a study of the occurrence within the United States of radioactive materials in sewage sludge and sewage incineration ash. One component of that effort was an examination of the possible tra...

  6. Multiscale modeling of acoustic shielding materials

    NARCIS (Netherlands)

    Gao, K.; Dommelen, van J.A.W.; Geers, M.G.D.

    2012-01-01

    It is very important to protect high-tech systems from acoustic excitation when operating in a noisy environment. Some passive absorbing materials such as acoustic foams can improve the performance which depends on the interaction of the acoustic wave and the microstructure of the foam.

  7. Elastoplastic cup model for cement-based materials

    Directory of Open Access Journals (Sweden)

    Yan Zhang

    2010-03-01

    Full Text Available Based on experimental data obtained from triaxial tests and a hydrostatic test, a cup model was formulated. Two plastic mechanisms, respectively a deviatoric shearing and a pore collapse, are taken into account. This model also considers the influence of confining pressure. In this paper, the calibration of the model is detailed and numerical simulations of the main mechanical behavior of cement paste over a large range of stress are described, showing good agreement with experimental results. The case study shows that this cup model has extensive applicability for cement-based materials and other quasi-brittle and high-porosity materials in a complex stress state.

  8. A Continuum Diffusion Model for Viscoelastic Materials

    Science.gov (United States)

    1988-11-01

    ZIP Code) 7b. ADDRESS (CJI. Slow, and ZIP Code) Mechanics Div isi on Office of Naval Research; Code 432 Collge Satio, T as 7843800 Quincy Ave. Collge ...these studies, which involved experimental, analytical, and materials science aspects, were conducted by researchers in the fields of physical and...thermodynamics, with irreversibility stemming from the foregoing variables yr through "growth laws" that correspond to viscous resistance. The physical ageing of

  9. Multiscale Modeling and Simulation of Material Processing

    Science.gov (United States)

    2006-07-01

    challenge is how to develop methods that permit simulation of a process with a fewer number of atoms (for e.g. 106 instead of 1014 atoms in a cube) or...rreula bakgrundmes to ea wih poblms n-here. In dynamic simulations, the mass and momentum volving rapidly varying stress, such as stress field near a...significant, as indicated by numerical examples that will follow. We next summarize the coupling scheme with the aid of flowchart Fig. 8. The material

  10. A hydrodynamic model for granular material flows including segregation effects

    Science.gov (United States)

    Gilberg, Dominik; Klar, Axel; Steiner, Konrad

    2017-06-01

    The simulation of granular flows including segregation effects in large industrial processes using particle methods is accurate, but very time-consuming. To overcome the long computation times a macroscopic model is a natural choice. Therefore, we couple a mixture theory based segregation model to a hydrodynamic model of Navier-Stokes-type, describing the flow behavior of the granular material. The granular flow model is a hybrid model derived from kinetic theory and a soil mechanical approach to cover the regime of fast dilute flow, as well as slow dense flow, where the density of the granular material is close to the maximum packing density. Originally, the segregation model has been formulated by Thornton and Gray for idealized avalanches. It is modified and adapted to be in the preferred form for the coupling. In the final coupled model the segregation process depends on the local state of the granular system. On the other hand, the granular system changes as differently mixed regions of the granular material differ i.e. in the packing density. For the modeling process the focus lies on dry granular material flows of two particle types differing only in size but can be easily extended to arbitrary granular mixtures of different particle size and density. To solve the coupled system a finite volume approach is used. To test the model the rotational mixing of small and large particles in a tumbler is simulated.

  11. Material model validation for laser shock peening process simulation

    International Nuclear Information System (INIS)

    Amarchinta, H K; Grandhi, R V; Langer, K; Stargel, D S

    2009-01-01

    Advanced mechanical surface enhancement techniques have been used successfully to increase the fatigue life of metallic components. These techniques impart deep compressive residual stresses into the component to counter potentially damage-inducing tensile stresses generated under service loading. Laser shock peening (LSP) is an advanced mechanical surface enhancement technique used predominantly in the aircraft industry. To reduce costs and make the technique available on a large-scale basis for industrial applications, simulation of the LSP process is required. Accurate simulation of the LSP process is a challenging task, because the process has many parameters such as laser spot size, pressure profile and material model that must be precisely determined. This work focuses on investigating the appropriate material model that could be used in simulation and design. In the LSP process material is subjected to strain rates of 10 6  s −1 , which is very high compared with conventional strain rates. The importance of an accurate material model increases because the material behaves significantly different at such high strain rates. This work investigates the effect of multiple nonlinear material models for representing the elastic–plastic behavior of materials. Elastic perfectly plastic, Johnson–Cook and Zerilli–Armstrong models are used, and the performance of each model is compared with available experimental results

  12. On the application of cohesive crack modeling in cementitious materials

    DEFF Research Database (Denmark)

    Stang, Henrik; Olesen, John Forbes; Poulsen, Peter Noe

    2007-01-01

    typically for multi scale problems such as crack propagation in fiber reinforced composites. Mortar and concrete, however, are multi-scale materials and the question naturally arises, if bridged crack models in fact are more suitable for concrete and mortar as well? In trying to answer this question a model......Cohesive crack models-in particular the Fictitious Crack Model - are applied routinely in the analysis of crack propagation in concrete and mortar. Bridged crack models-where cohesive stresses are assumed to exist together with a stress singularity at the crack tip-on the other hand, are used...

  13. Filamentary model in resistive switching materials

    Science.gov (United States)

    Jasmin, Alladin C.

    2017-12-01

    The need for next generation computer devices is increasing as the demand for efficient data processing increases. The amount of data generated every second also increases which requires large data storage devices. Oxide-based memory devices are being studied to explore new research frontiers thanks to modern advances in nanofabrication. Various oxide materials are studied as active layers for non-volatile memory. This technology has potential application in resistive random-access-memory (ReRAM) and can be easily integrated in CMOS technologies. The long term perspective of this research field is to develop devices which mimic how the brain processes information. To realize such application, a thorough understanding of the charge transport and switching mechanism is important. A new perspective in the multistate resistive switching based on current-induced filament dynamics will be discussed. A simple equivalent circuit of the device gives quantitative information about the nature of the conducting filament at different resistance states.

  14. Spreadsheet Decision Support Model for Training Exercise Material Requirements Planning

    National Research Council Canada - National Science Library

    Tringali, Arthur

    1997-01-01

    This thesis focuses on developing a spreadsheet decision support model that can be used by combat engineer platoon and company commanders in determining the material requirements and estimated costs...

  15. Development of a materials data base for modeling

    International Nuclear Information System (INIS)

    Iwata, S.; Ashino, T.; Ishino, S.

    1988-01-01

    Materials selection for fusion reactors requires a materials data base and a set of methods to estimate material properties in a ''virtual'' fusion reactor. This estimation process, namely, modeling, is analyzed as compromising of design requirements, available data bases and methods of estimation, and a concept of an ideal computer system to support this modeling process is proposed. The limitations of a commercial DBMS (Data Base Management System) to handle sophisticated materials data are described in accordance with our experiences. Secondly, ways to manipulate analytical expressions are discussed as the next step for computer assisted modeling. Finally, an advanced method is presented which is able to manage models and data in the same manner without paying attention to annoying rules compelled by constraints of using computers. (orig.)

  16. Spreadsheet Decision Support Model for Training Exercise Material Requirements Planning

    National Research Council Canada - National Science Library

    Tringali, Arthur

    1997-01-01

    ... associated with military training exercises. The model combines the business practice of Material Requirements Planning and the commercial spreadsheet software capabilities of Lotus 1-2-3 to calculate the requirements for food, consumable...

  17. Stochastic Modeling of Radioactive Material Releases

    Energy Technology Data Exchange (ETDEWEB)

    Andrus, Jason [Idaho National Lab. (INL), Idaho Falls, ID (United States); Pope, Chad [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    Nonreactor nuclear facilities operated under the approval authority of the U.S. Department of Energy use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge or exceed dose evaluation guidelines. Unmitigated design basis events that sufficiently challenge dose evaluation guidelines or exceed the guidelines for members of the public or workers, merit selection of safety structures, systems, or components or other controls to prevent or mitigate the hazard. Idaho State University, in collaboration with Idaho National Laboratory, has developed a portable and simple to use software application called SODA (Stochastic Objective Decision-Aide) that stochastically calculates the radiation dose associated with hypothetical radiological material release scenarios. Rather than producing a point estimate of the dose, SODA produces a dose distribution result to allow a deeper understanding of the dose potential. SODA allows users to select the distribution type and parameter values for all of the input variables used to perform the dose calculation. SODA then randomly samples each distribution input variable and calculates the overall resulting dose distribution. In cases where an input variable distribution is unknown, a traditional single point value can be used. SODA was developed using the MATLAB coding framework. The software application has a graphical user input. SODA can be installed on both Windows and Mac computers and does not require MATLAB to function. SODA provides improved risk understanding leading to better informed decision making associated with establishing nuclear facility material-at-risk limits and safety structure, system, or component selection. It is important to note that SODA does not replace or compete with codes such as MACCS or RSAC, rather it is viewed as an easy to use supplemental tool to help improve risk understanding and support better informed decisions. The work was

  18. Stochastic Modeling of Radioactive Material Releases

    International Nuclear Information System (INIS)

    Andrus, Jason; Pope, Chad

    2015-01-01

    Nonreactor nuclear facilities operated under the approval authority of the U.S. Department of Energy use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge or exceed dose evaluation guidelines. Unmitigated design basis events that sufficiently challenge dose evaluation guidelines or exceed the guidelines for members of the public or workers, merit selection of safety structures, systems, or components or other controls to prevent or mitigate the hazard. Idaho State University, in collaboration with Idaho National Laboratory, has developed a portable and simple to use software application called SODA (Stochastic Objective Decision-Aide) that stochastically calculates the radiation dose associated with hypothetical radiological material release scenarios. Rather than producing a point estimate of the dose, SODA produces a dose distribution result to allow a deeper understanding of the dose potential. SODA allows users to select the distribution type and parameter values for all of the input variables used to perform the dose calculation. SODA then randomly samples each distribution input variable and calculates the overall resulting dose distribution. In cases where an input variable distribution is unknown, a traditional single point value can be used. SODA was developed using the MATLAB coding framework. The software application has a graphical user input. SODA can be installed on both Windows and Mac computers and does not require MATLAB to function. SODA provides improved risk understanding leading to better informed decision making associated with establishing nuclear facility material-at-risk limits and safety structure, system, or component selection. It is important to note that SODA does not replace or compete with codes such as MACCS or RSAC, rather it is viewed as an easy to use supplemental tool to help improve risk understanding and support better informed decisions. The work was

  19. Eddy current modeling in linear and nonlinear multifilamentary composite materials

    Science.gov (United States)

    Menana, Hocine; Farhat, Mohamad; Hinaje, Melika; Berger, Kevin; Douine, Bruno; Lévêque, Jean

    2018-04-01

    In this work, a numerical model is developed for a rapid computation of eddy currents in composite materials, adaptable for both carbon fiber reinforced polymers (CFRPs) for NDT applications and multifilamentary high temperature superconductive (HTS) tapes for AC loss evaluation. The proposed model is based on an integro-differential formulation in terms of the electric vector potential in the frequency domain. The high anisotropy and the nonlinearity of the considered materials are easily handled in the frequency domain.

  20. Strain Rate Dependant Material Model for Orthotropic Metals

    International Nuclear Information System (INIS)

    Vignjevic, Rade

    2016-01-01

    In manufacturing processes anisotropic metals are often exposed to the loading with high strain rates in the range from 10"2 s"-"1 to 10"6 s"-"1 (e.g. stamping, cold spraying and explosive forming). These types of loading often involve generation and propagation of shock waves within the material. The material behaviour under such a complex loading needs to be accurately modelled, in order to optimise the manufacturing process and achieve appropriate properties of the manufactured component. The presented research is related to development and validation of a thermodynamically consistent physically based constitutive model for metals under high rate loading. The model is capable of modelling damage, failure and formation and propagation of shock waves in anisotropic metals. The model has two main parts: the strength part which defines the material response to shear deformation and an equation of state (EOS) which defines the material response to isotropic volumetric deformation [1]. The constitutive model was implemented into the transient nonlinear finite element code DYNA3D [2] and our in house SPH code. Limited model validation was performed by simulating a number of high velocity material characterisation and validation impact tests. The new damage model was developed in the framework of configurational continuum mechanics and irreversible thermodynamics with internal state variables. The use of the multiplicative decomposition of deformation gradient makes the model applicable to arbitrary plastic and damage deformations. To account for the physical mechanisms of failure, the concept of thermally activated damage initially proposed by Tuller and Bucher [3], Klepaczko [4] was adopted as the basis for the new damage evolution model. This makes the proposed damage/failure model compatible with the Mechanical Threshold Strength (MTS) model Follansbee and Kocks [5], 1988; Chen and Gray [6] which was used to control evolution of flow stress during plastic

  1. Extended Jiles-Atherton model for modelling the magnetic characteristics of isotropic materials

    International Nuclear Information System (INIS)

    Szewczyk, Roman; Bienkowski, Adam; Salach, Jacek

    2008-01-01

    This paper presents the idea of the extension of the Jiles-Atherton model applied for modelling of the magnetic characteristics of Mn-Zn, as well as Ni-Zn ferrites. The presented extension of the model takes into account changes of the parameter k during the magnetisation process, what is physically judged. The extended Jiles-Atherton model gives novel possibility of modelling the hysteresis loops of isotropic materials. For one set of the extended model parameters, a good agreement between experimental data and modelled hysteresis loops is observed, for different values of maximal magnetising field. As a result, the extended Jiles-Atherton model presented in the paper may be applied for both technical applications and fundamental research, focused on understanding the physical aspects of the magnetisation process of anisotropic soft magnetic materials

  2. Learning to Apply Models of Materials While Explaining Their Properties

    Science.gov (United States)

    Karpin, Tiia; Juuti, Kalle; Lavonen, Jari

    2014-01-01

    Background: Applying structural models is important to chemistry education at the upper secondary level, but it is considered one of the most difficult topics to learn. Purpose: This study analyses to what extent in designed lessons students learned to apply structural models in explaining the properties and behaviours of various materials.…

  3. Physical and Model Uncertainty for Fatigue Design of Composite Material

    DEFF Research Database (Denmark)

    Toft, Henrik Stensgaard; Sørensen, John Dalsgaard

    The main aim of the present report is to establish stochastic models for the uncertainties related to fatigue design of composite materials. The uncertainties considered are the physical uncertainty related to the static and fatigue strength and the model uncertainty related to Miners rule...

  4. Modeling and analysis for surface roughness and material removal ...

    African Journals Online (AJOL)

    The cutting parameters considered were tool nose radius, tool rake angle, feed rate, cutting speed, depth of cut and cutting environment (dry, wet and cooled) on the surface roughness and material removal ... A second order mathematical model in terms of cutting parameters is also developed using regression modeling.

  5. Finite element modelling of fibre-reinforced brittle materials

    NARCIS (Netherlands)

    Kullaa, J.

    1997-01-01

    The tensile constitutive behaviour of fibre-reinforced brittle materials can be extended to two or three dimensions by using the finite element method with crack models. The three approaches in this study include the smeared and discrete crack concepts and a multi-surface plasticity model. The

  6. Modeling short-pulse laser excitation of dielectric materials

    DEFF Research Database (Denmark)

    Wædegaard, Kristian Juncher; Sandkamm, Ditte Både; Haahr-Lillevang, Lasse

    2014-01-01

    A theoretical description of ultrashort-pulse laser excitation of dielectric materials based on strong-field excitation in the Keldysh picture combined with a multiple-rateequation model for the electronic excitation including collisional processes is presented. The model includes light attenuation...

  7. Modeling the self-assembly of ordered nanoporous materials

    Energy Technology Data Exchange (ETDEWEB)

    Monson, Peter [Univ. of Massachusetts, Amherst, MA (United States); Auerbach, Scott [Univ. of Massachusetts, Amherst, MA (United States)

    2017-11-13

    This report describes progress on a collaborative project on the multiscale modeling of the assembly processes in the synthesis of nanoporous materials. Such materials are of enormous importance in modern technology with application in the chemical process industries, biomedicine and biotechnology as well as microelectronics. The project focuses on two important classes of materials: i) microporous crystalline materials, such as zeolites, and ii) ordered mesoporous materials. In the first case the pores are part of the crystalline structure, while in the second the structures are amorphous on the atomistic length scale but where surfactant templating gives rise to order on the length scale of 2 - 20 nm. We have developed a modeling framework that encompasses both these kinds of materials. Our models focus on the assembly of corner sharing silica tetrahedra in the presence of structure directing agents. We emphasize a balance between sufficient realism in the models and computational tractibility given the complex many-body phenomena. We use both on-lattice and off-lattice models and the primary computational tools are Monte Carlo simulations with sampling techniques and ensembles appropriate to specific situations. Our modeling approach is the first to capture silica polymerization, nanopore crystallization, and mesopore formation through computer-simulated self assembly.

  8. Modelling

    CERN Document Server

    Spädtke, P

    2013-01-01

    Modeling of technical machines became a standard technique since computer became powerful enough to handle the amount of data relevant to the specific system. Simulation of an existing physical device requires the knowledge of all relevant quantities. Electric fields given by the surrounding boundary as well as magnetic fields caused by coils or permanent magnets have to be known. Internal sources for both fields are sometimes taken into account, such as space charge forces or the internal magnetic field of a moving bunch of charged particles. Used solver routines are briefly described and some bench-marking is shown to estimate necessary computing times for different problems. Different types of charged particle sources will be shown together with a suitable model to describe the physical model. Electron guns are covered as well as different ion sources (volume ion sources, laser ion sources, Penning ion sources, electron resonance ion sources, and H$^-$-sources) together with some remarks on beam transport.

  9. Multiscale modeling of complex materials phenomenological, theoretical and computational aspects

    CERN Document Server

    Trovalusci, Patrizia

    2014-01-01

    The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.

  10. Modelling of Granular Materials Using the Discrete Element Method

    DEFF Research Database (Denmark)

    Ullidtz, Per

    1997-01-01

    With the Discrete Element Method it is possible to model materials that consists of individual particles where a particle may role or slide on other particles. This is interesting because most of the deformation in granular materials is due to rolling or sliding rather that compression of the gra...

  11. The Active Model: a calibration of material intent

    DEFF Research Database (Denmark)

    Ramsgaard Thomsen, Mette; Tamke, Martin

    2012-01-01

    created it. This definition suggests structural characteristics that are perhaps not immediately obvious when implemented within architectural models. It opens the idea that materiality might persist into the digital environment, as well as the digital lingering within the material. It implies questions...

  12. Model of bidirectional reflectance distribution function for metallic materials

    International Nuclear Information System (INIS)

    Wang Kai; Zhu Jing-Ping; Liu Hong; Hou Xun

    2016-01-01

    Based on the three-component assumption that the reflection is divided into specular reflection, directional diffuse reflection, and ideal diffuse reflection, a bidirectional reflectance distribution function (BRDF) model of metallic materials is presented. Compared with the two-component assumption that the reflection is composed of specular reflection and diffuse reflection, the three-component assumption divides the diffuse reflection into directional diffuse and ideal diffuse reflection. This model effectively resolves the problem that constant diffuse reflection leads to considerable error for metallic materials. Simulation and measurement results validate that this three-component BRDF model can improve the modeling accuracy significantly and describe the reflection properties in the hemisphere space precisely for the metallic materials. (paper)

  13. Model of bidirectional reflectance distribution function for metallic materials

    Science.gov (United States)

    Wang, Kai; Zhu, Jing-Ping; Liu, Hong; Hou, Xun

    2016-09-01

    Based on the three-component assumption that the reflection is divided into specular reflection, directional diffuse reflection, and ideal diffuse reflection, a bidirectional reflectance distribution function (BRDF) model of metallic materials is presented. Compared with the two-component assumption that the reflection is composed of specular reflection and diffuse reflection, the three-component assumption divides the diffuse reflection into directional diffuse and ideal diffuse reflection. This model effectively resolves the problem that constant diffuse reflection leads to considerable error for metallic materials. Simulation and measurement results validate that this three-component BRDF model can improve the modeling accuracy significantly and describe the reflection properties in the hemisphere space precisely for the metallic materials.

  14. Material appearance modeling a data-coherent approach

    CERN Document Server

    Dong, Yue; Guo, Baining

    2013-01-01

    A principal aim of computer graphics is to generate images that look as real as photographs. Realistic computer graphics imagery has however proven to be quite challenging to produce, since the appearance of materials arises from complicated physical processes that are difficult to analytically model and simulate, and image-based modeling of real material samples is often impractical due to the high-dimensional space of appearance data that needs to be acquired.This book presents a general framework based on the inherent coherency in the appearance data of materials to make image-based appeara

  15. External exposure model for various geometries of contaminated materials

    International Nuclear Information System (INIS)

    LePoire, D.; Kamboj, S.; Yu, C.

    1996-01-01

    A computational model for external exposure was developed for the U.S. Department of Energy's residual radioactive material guideline computer code (RESRAD) on the basis of dose coefficients from Federal Guidance Report No. 12 and the point-kernel method. This model includes the effects of different materials and exposure distances, as well as source geometry (cover thickness, source depth, area, and shape). A material factor is calculated on the basis of the point-kernel method using material-specific photon cross-section data and buildup factors. This present model was incorporated into RESRAD-RECYCLE (a RESRAD family code used for computing radiological impacts of metal recycling) and is being incorporated into RESRAD-BUILD (a DOE recommended code for computing impacts of building decontamination). The model was compared with calculations performed with the Monte Carlo N-Particle Code (MCNP) and the Microshield code for three different source geometries, three different radionuclides ( 234 U, 238 U, and 60 Co, representing low, medium, and high energy, respectively), and five different source materials (iron, copper, aluminum, water, and soil). The comparison shows that results of this model are in very good agreement with MCNP calculations (within 5% for 60 Co and within 30% for 238 U and 234 U for all materials and source geometries). Significant differences (greater than 100%) were observed with Microshield for thin 234 U sources

  16. A review of thermoelectric cooling: Materials, modeling and applications

    International Nuclear Information System (INIS)

    Zhao, Dongliang; Tan, Gang

    2014-01-01

    This study reviews the recent advances of thermoelectric materials, modeling approaches, and applications. Thermoelectric cooling systems have advantages over conventional cooling devices, including compact in size, light in weight, high reliability, no mechanical moving parts, no working fluid, being powered by direct current, and easily switching between cooling and heating modes. In this study, historical development of thermoelectric cooling has been briefly introduced first. Next, the development of thermoelectric materials has been given and the achievements in past decade have been summarized. To improve thermoelectric cooling system's performance, the modeling techniques have been described for both the thermoelement modeling and thermoelectric cooler (TEC) modeling including standard simplified energy equilibrium model, one-dimensional and three-dimensional models, and numerical compact model. Finally, the thermoelectric cooling applications have been reviewed in aspects of domestic refrigeration, electronic cooling, scientific application, and automobile air conditioning and seat temperature control, with summaries for the commercially available thermoelectric modules and thermoelectric refrigerators. It is expected that this study will be beneficial to thermoelectric cooling system design, simulation, and analysis. - Highlights: •Thermoelectric cooling has great prospects with thermoelectric material's advances. •Modeling techniques for both thermoelement and TEC have been reviewed. •Principle thermoelectric cooling applications have been reviewed and summarized

  17. System level permeability modeling of porous hydrogen storage materials.

    Energy Technology Data Exchange (ETDEWEB)

    Kanouff, Michael P.; Dedrick, Daniel E.; Voskuilen, Tyler (Purdue University, West Lafayette, IN)

    2010-01-01

    A permeability model for hydrogen transport in a porous material is successfully applied to both laboratory-scale and vehicle-scale sodium alanate hydrogen storage systems. The use of a Knudsen number dependent relationship for permeability of the material in conjunction with a constant area fraction channeling model is shown to accurately predict hydrogen flow through the reactors. Generally applicable model parameters were obtained by numerically fitting experimental measurements from reactors of different sizes and aspect ratios. The degree of channeling was experimentally determined from the measurements and found to be 2.08% of total cross-sectional area. Use of this constant area channeling model and the Knudsen dependent Young & Todd permeability model allows for accurate prediction of the hydrogen uptake performance of full-scale sodium alanate and similar metal hydride systems.

  18. Atomic scale modelling of materials of the nuclear fuel cycle

    International Nuclear Information System (INIS)

    Bertolus, M.

    2011-10-01

    This document written to obtain the French accreditation to supervise research presents the research I conducted at CEA Cadarache since 1999 on the atomic scale modelling of non-metallic materials involved in the nuclear fuel cycle: host materials for radionuclides from nuclear waste (apatites), fuel (in particular uranium dioxide) and ceramic cladding materials (silicon carbide). These are complex materials at the frontier of modelling capabilities since they contain heavy elements (rare earths or actinides), exhibit complex structures or chemical compositions and/or are subjected to irradiation effects: creation of point defects and fission products, amorphization. The objective of my studies is to bring further insight into the physics and chemistry of the elementary processes involved using atomic scale modelling and its coupling with higher scale models and experimental studies. This work is organised in two parts: on the one hand the development, adaptation and implementation of atomic scale modelling methods and validation of the approximations used; on the other hand the application of these methods to the investigation of nuclear materials under irradiation. This document contains a synthesis of the studies performed, orientations for future research, a detailed resume and a list of publications and communications. (author)

  19. A structure for models of hazardous materials with complex behavior

    International Nuclear Information System (INIS)

    Rodean, H.C.

    1991-01-01

    Most atmospheric dispersion models used to assess the environmental consequences of accidental releases of hazardous chemicals do not have the capability to simulate the pertinent chemical and physical processes associated with the release of the material and its mixing with the atmosphere. The purpose of this paper is to present a materials sub-model with the flexibility to simulate the chemical and physical behaviour of a variety of materials released into the atmosphere. The model, which is based on thermodynamic equilibrium, incorporates the ideal gas law, temperature-dependent vapor pressure equations, temperature-dependent dissociation reactions, and reactions with atmospheric water vapor. The model equations, written in terms of pressure ratios and dimensionless parameters, are used to construct equilibrium diagrams with temperature and the mass fraction of the material in the mixture as coordinates. The model's versatility is demonstrated by its application to the release of UF 6 and N 2 O 4 , two materials with very different physical and chemical properties. (author)

  20. Mechanical Properties of Nanostructured Materials Determined Through Molecular Modeling Techniques

    Science.gov (United States)

    Clancy, Thomas C.; Gates, Thomas S.

    2005-01-01

    The potential for gains in material properties over conventional materials has motivated an effort to develop novel nanostructured materials for aerospace applications. These novel materials typically consist of a polymer matrix reinforced with particles on the nanometer length scale. In this study, molecular modeling is used to construct fully atomistic models of a carbon nanotube embedded in an epoxy polymer matrix. Functionalization of the nanotube which consists of the introduction of direct chemical bonding between the polymer matrix and the nanotube, hence providing a load transfer mechanism, is systematically varied. The relative effectiveness of functionalization in a nanostructured material may depend on a variety of factors related to the details of the chemical bonding and the polymer structure at the nanotube-polymer interface. The objective of this modeling is to determine what influence the details of functionalization of the carbon nanotube with the polymer matrix has on the resulting mechanical properties. By considering a range of degree of functionalization, the structure-property relationships of these materials is examined and mechanical properties of these models are calculated using standard techniques.

  1. Modeling of tritium behavior in ceramic breeder materials

    International Nuclear Information System (INIS)

    Kopasz, J.P.; Tam, S.W.; Johnson, C.E.

    1988-11-01

    Computer models are being developed to predict tritium release from candidate ceramic breeder materials for fusion reactors. Early models regarded the complex process of tritium release as being rate limited by a single slow step, usually taken to be tritium diffusion. These models were unable to explain much of the experimental data. We have developed a more comprehensive model which considers diffusion and desorption from the grain surface. In developing this model we found that it was necessary to include the details of the surface phenomena in order to explain the results from recent tritium release experiments. A diffusion-desorption model with a desorption activation energy which is dependent on the surface coverage was developed. This model provided excellent agreement with the results from the CRITIC tritium release experiment. Since evidence suggests that other ceramic breeder materials have desorption activation energies which are dependent on surface coverage, it is important that these variations in activation energy be included in a model for tritium release. 17 refs., 12 figs

  2. Application of Metamodels to Identification of Metallic Materials Models

    Directory of Open Access Journals (Sweden)

    Maciej Pietrzyk

    2016-01-01

    Full Text Available Improvement of the efficiency of the inverse analysis (IA for various material tests was the objective of the paper. Flow stress models and microstructure evolution models of various complexity of mathematical formulation were considered. Different types of experiments were performed and the results were used for the identification of models. Sensitivity analysis was performed for all the models and the importance of parameters in these models was evaluated. Metamodels based on artificial neural network were proposed to simulate experiments in the inverse solution. Performed analysis has shown that significant decrease of the computing times could be achieved when metamodels substitute finite element model in the inverse analysis, which is the case in the identification of flow stress models. Application of metamodels gave good results for flow stress models based on closed form equations accounting for an influence of temperature, strain, and strain rate (4 coefficients and additionally for softening due to recrystallization (5 coefficients and for softening and saturation (7 coefficients. Good accuracy and high efficiency of the IA were confirmed. On the contrary, identification of microstructure evolution models, including phase transformation models, did not give noticeable reduction of the computing time.

  3. Energy based model for temperature dependent behavior of ferromagnetic materials

    International Nuclear Information System (INIS)

    Sah, Sanjay; Atulasimha, Jayasimha

    2017-01-01

    An energy based model for temperature dependent anhysteretic magnetization curves of ferromagnetic materials is proposed and benchmarked against experimental data. This is based on the calculation of macroscopic magnetic properties by performing an energy weighted average over all possible orientations of the magnetization vector. Most prior approaches that employ this method are unable to independently account for the effect of both inhomogeneity and temperature in performing the averaging necessary to model experimental data. Here we propose a way to account for both effects simultaneously and benchmark the model against experimental data from ~5 K to ~300 K for two different materials in both annealed (fewer inhomogeneities) and deformed (more inhomogeneities) samples. This demonstrates that this framework is well suited to simulate temperature dependent experimental magnetic behavior. - Highlights: • Energy based model for temperature dependent ferromagnetic behavior. • Simultaneously accounts for effect of temperature and inhomogeneities. • Benchmarked against experimental data from 5 K to 300 K.

  4. Scaling of Core Material in Rubble Mound Breakwater Model Tests

    DEFF Research Database (Denmark)

    Burcharth, H. F.; Liu, Z.; Troch, P.

    1999-01-01

    The permeability of the core material influences armour stability, wave run-up and wave overtopping. The main problem related to the scaling of core materials in models is that the hydraulic gradient and the pore velocity are varying in space and time. This makes it impossible to arrive at a fully...... correct scaling. The paper presents an empirical formula for the estimation of the wave induced pressure gradient in the core, based on measurements in models and a prototype. The formula, together with the Forchheimer equation can be used for the estimation of pore velocities in cores. The paper proposes...... that the diameter of the core material in models is chosen in such a way that the Froude scale law holds for a characteristic pore velocity. The characteristic pore velocity is chosen as the average velocity of a most critical area in the core with respect to porous flow. Finally the method is demonstrated...

  5. Elastic properties of synthetic materials for soft tissue modeling

    International Nuclear Information System (INIS)

    Mansy, H A; Grahe, J R; Sandler, R H

    2008-01-01

    Mechanical models of soft tissue are useful for studying vibro-acoustic phenomena. They may be used for validating mathematical models and for testing new equipment and techniques. The objective of this study was to measure density and visco-elastic properties of synthetic materials that can be used to build such models. Samples of nine different materials were tested under dynamic (0.5 Hz) compressive loading conditions. The modulus of elasticity of the materials was varied, whenever possible, by adding a softener during manufacturing. The modulus was measured over a nine month period to quantify the effect of ageing and softener loss on material properties. Results showed that a wide range of the compression elasticity modulus (10 to 1400 kPa) and phase (3.5 0 -16.7 0 ) between stress and strain were possible. Some materials tended to exude softener over time, resulting in a weight loss and elastic properties change. While the weight loss under normal conditions was minimal in all materials (<3% over nine months), loss under accelerated weight-loss conditions can reach 59%. In the latter case an elasticity modulus increase of up to 500% was measured. Key advantages and limitations of candidate materials were identified and discussed

  6. MMSNF 2005. Materials models and simulations for nuclear fuels

    Energy Technology Data Exchange (ETDEWEB)

    Freyss, M.; Durinck, J.; Carlot, G.; Sabathier, C.; Martin, P.; Garcia, P.; Ripert, M.; Blanpain, P.; Lippens, M.; Schut, H.; Federov, A.V.; Bakker, K.; Osaka, M.; Miwa, S.; Sato, I.; Tanaka, K.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Govers, K.; Verwerft, M.; Hou, M.; Lemehov, S.E.; Terentyev, D.; Govers, K.; Kotomin, E.A.; Ashley, N.J.; Grimes, R.W.; Van Uffelen, P.; Mastrikov, Y.; Zhukovskii, Y.; Rondinella, V.V.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Minato, K.; Phillpot, S.; Watanabe, T.; Shukla, P.; Sinnott, S.; Nino, J.; Grimes, R.; Staicu, D.; Hiernaut, J.P.; Wiss, T.; Rondinella, V.V.; Ronchi, C.; Yakub, E.; Kaye, M.H.; Morrison, C.; Higgs, J.D.; Akbari, F.; Lewis, B.J.; Thompson, W.T.; Gueneau, C.; Gosse, S.; Chatain, S.; Dumas, J.C.; Sundman, B.; Dupin, N.; Konings, R.; Noel, H.; Veshchunov, M.; Dubourg, R.; Ozrin, C.V.; Veshchunov, M.S.; Welland, M.T.; Blanc, V.; Michel, B.; Ricaud, J.M.; Calabrese, R.; Vettraino, F.; Tverberg, T.; Kissane, M.; Tulenko, J.; Stan, M.; Ramirez, J.C.; Cristea, P.; Rachid, J.; Kotomin, E.; Ciriello, A.; Rondinella, V.V.; Staicu, D.; Wiss, T.; Konings, R.; Somers, J.; Killeen, J

    2006-07-01

    The MMSNF Workshop series aims at stimulating research and discussions on models and simulations of nuclear fuels and coupling the results into fuel performance codes.This edition was focused on materials science and engineering for fuel performance codes. The presentations were grouped in three technical sessions: fundamental modelling of fuel properties; integral fuel performance codes and their validation; collaborations and integration of activities. (A.L.B.)

  7. Editorial: Modelling and computational challenges in granular materials

    OpenAIRE

    Weinhart, Thomas; Thornton, Anthony Richard; Einav, Itai

    2015-01-01

    This is the editorial for the special issue on “Modelling and computational challenges in granular materials” in the journal on Computational Particle Mechanics (CPM). The issue aims to provide an opportunity for physicists, engineers, applied mathematicians and computational scientists to discuss the current progress and latest advancements in the field of advanced numerical methods and modelling of granular materials. The focus will be on computational methods, improved algorithms and the m...

  8. MMSNF 2005. Materials models and simulations for nuclear fuels

    International Nuclear Information System (INIS)

    Freyss, M.; Durinck, J.; Carlot, G.; Sabathier, C.; Martin, P.; Garcia, P.; Ripert, M.; Blanpain, P.; Lippens, M.; Schut, H.; Federov, A.V.; Bakker, K.; Osaka, M.; Miwa, S.; Sato, I.; Tanaka, K.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Govers, K.; Verwerft, M.; Hou, M.; Lemehov, S.E.; Terentyev, D.; Govers, K.; Kotomin, E.A.; Ashley, N.J.; Grimes, R.W.; Van Uffelen, P.; Mastrikov, Y.; Zhukovskii, Y.; Rondinella, V.V.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Minato, K.; Phillpot, S.; Watanabe, T.; Shukla, P.; Sinnott, S.; Nino, J.; Grimes, R.; Staicu, D.; Hiernaut, J.P.; Wiss, T.; Rondinella, V.V.; Ronchi, C.; Yakub, E.; Kaye, M.H.; Morrison, C.; Higgs, J.D.; Akbari, F.; Lewis, B.J.; Thompson, W.T.; Gueneau, C.; Gosse, S.; Chatain, S.; Dumas, J.C.; Sundman, B.; Dupin, N.; Konings, R.; Noel, H.; Veshchunov, M.; Dubourg, R.; Ozrin, C.V.; Veshchunov, M.S.; Welland, M.T.; Blanc, V.; Michel, B.; Ricaud, J.M.; Calabrese, R.; Vettraino, F.; Tverberg, T.; Kissane, M.; Tulenko, J.; Stan, M.; Ramirez, J.C.; Cristea, P.; Rachid, J.; Kotomin, E.; Ciriello, A.; Rondinella, V.V.; Staicu, D.; Wiss, T.; Konings, R.; Somers, J.; Killeen, J.

    2006-01-01

    The MMSNF Workshop series aims at stimulating research and discussions on models and simulations of nuclear fuels and coupling the results into fuel performance codes.This edition was focused on materials science and engineering for fuel performance codes. The presentations were grouped in three technical sessions: fundamental modelling of fuel properties; integral fuel performance codes and their validation; collaborations and integration of activities. (A.L.B.)

  9. Multiscale modeling of materials. Materials Research Society symposium proceedings: Volume 538

    International Nuclear Information System (INIS)

    Bulatov, V.V.; Diaz de la Rubia, T.; Phillips, R.; Kaxiras, E.; Ghoniem, N.

    1999-01-01

    The symposium, Multiscale Modeling of Materials, was held at the 1998 MRS Fall Meeting in Boston, Massachusetts, November 30 to December 3. Though multiple scale models are not new the topic has recently taken on a new sense of urgency. This is in large part due to the recognition that brute force computational approaches often fall short of allowing for direct simulation of both the characteristic structures and temporal processes found in real materials. As a result, a number of hybrid approaches are now finding favor in which ideas borrowed from distinct disciplines or modeling paradigms are unified to produce more powerful techniques. Topics included are modeling dislocation properties and behavior, defect dynamics and microstructural evolution, crystal defects and interfaces, novel methods for materials modeling, and non-crystalline and nanocrystalline materials. Eighty papers have been processed separately for inclusion on the data base

  10. 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.

  11. Recent Advances in Material and Geometrical Modelling in Dental Applications

    Directory of Open Access Journals (Sweden)

    Waleed M. S. Al Qahtani

    2018-06-01

    Full Text Available This article touched, in brief, the recent advances in dental materials and geometric modelling in dental applications. Most common categories of dental materials as metallic alloys, composites, ceramics and nanomaterials were briefly demonstrated. Nanotechnology improved the quality of dental biomaterials. This new technology improves many existing materials properties, also, to introduce new materials with superior properties that covered a wide range of applications in dentistry. Geometric modelling was discussed as a concept and examples within this article. The geometric modelling with engineering Computer-Aided-Design (CAD system(s is highly satisfactory for further analysis or Computer-Aided-Manufacturing (CAM processes. The geometric modelling extracted from Computed-Tomography (CT images (or its similar techniques for the sake of CAM also reached a sufficient level of accuracy, while, obtaining efficient solid modelling without huge efforts on body surfaces, faces, and gaps healing is still doubtable. This article is merely a compilation of knowledge learned from lectures, workshops, books, and journal articles, articles from the internet, dental forum, and scientific groups' discussions.

  12. COMPUTER MODELING OF STRUCTURAL - CONCENTRATION CHARACTERISTICS OF BUILDING COMPOSITE MATERIALS

    Directory of Open Access Journals (Sweden)

    I. I. Zaripova

    2015-09-01

    Full Text Available In the article the computer modeling of structural and concentration characteristics of the building composite material on the basis of the theory of the package. The main provisions of the algorithmon the basis of which it was possible to get the package with a significant number of packaged elements, making it more representative in comparison with existing analogues modeling. We describe the modeled area related areas, the presence of which determines the possibility of a percolation process, which in turn makes it possible to study and management of individual properties of the composite material of construction. As an example of the construction of a composite material is considered concrete that does not exclude the possibility of using algorithms and modeling results of similar studies for composite matrix type (matrix of the same material and distributed in a certain way by volume particles of another substance. Based on modeling results can be manufactured parts and construction elementsfor various purposes with improved technical characteristics (by controlling the concentration composition substance.

  13. Thermodynamical aspects of modeling the mechanical response of granular materials

    International Nuclear Information System (INIS)

    Elata, D.

    1995-01-01

    In many applications in rock physics, the material is treated as a continuum. By supplementing the related conservation laws with constitutive equations such as stress-strain relations, a well-posed problem can be formulated and solved. The stress-strain relations may be based on a combination of experimental data and a phenomenological or micromechanical model. If the model is physically sound and its parameters have a physical meaning, it can serve to predict the stress response of the material to unmeasured deformations, predict the stress response of other materials, and perhaps predict other categories of the mechanical response such as failure, permeability, and conductivity. However, it is essential that the model be consistent with all conservation laws and consistent with the second law of thermodynamics. Specifically, some models of the mechanical response of granular materials proposed in literature, are based on intergranular contact force-displacement laws that violate the second law of thermodynamics by permitting energy generation at no cost. This diminishes the usefulness of these models as it invalidates their predictive capabilities. [This work was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48.

  14. Challenges in Materials Transformation Modeling for Polyolefins Industry

    Science.gov (United States)

    Lai, Shih-Yaw; Swogger, Kurt W.

    2004-06-01

    Unlike most published polymer processing and/or forming research, the transformation of polyolefins to fabricated articles often involves non-confined flow or so-called free surface flow (e.g. fiber spinning, blown films, and cast films) in which elongational flow takes place during a fabrication process. Obviously, the characterization and validation of extensional rheological parameters and their use to develop rheological constitutive models are the focus of polyolefins materials transformation research. Unfortunately, there are challenges that remain with limited validation for non-linear, non-isothermal constitutive models for polyolefins. Further complexity arises in the transformation of polyolefins in the elongational flow system as it involves stress-induced crystallization process. The complicated nature of elongational, non-linear rheology and non-isothermal crystallization kinetics make the development of numerical methods very challenging for the polyolefins materials forming modeling. From the product based company standpoint, the challenges of materials transformation research go beyond elongational rheology, crystallization kinetics and its numerical modeling. In order to make models useful for the polyolefin industry, it is critical to develop links between molecular parameters to both equipment and materials forming parameters. The recent advances in the constrained geometry catalysis and materials sciences understanding (INSITE technology and molecular design capability) has made industrial polyolefinic materials forming modeling more viable due to the fact that the molecular structure of the polymer can be well predicted and controlled during the polymerization. In this paper, we will discuss inter-relationship (models) among molecular parameters such as polymer molecular weight (Mw), molecular weight distribution (MWD), long chain branching (LCB), short chain branching (SCB or comonomer types and distribution) and their affects on shear and

  15. Multiscale modeling of radiation effects in nuclear reactor structural materials

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Junhyun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-10-15

    Most problems in irradiated materials originate from the atomic collision of high-energy particles and lattice atoms. This collision leads to displacement cascades through the energy transfer reaction and causes various types of defects such as vacancies, interstitials, and clusters. The behavior of the point defects created in the displacement cascades is important because these defects play a major role in a microstructural evolution and further affect the changes in material properties. Rapid advances have been made in the computational capabilities for a realistic simulation of complex physical phenomena, such as irradiation and aging effects. At the same time, progress has been made in understanding the effect of radiation in metals, especially iron-based alloys. In this work, we present some of our ongoing work in this area, which illustrates a multiscale modeling for evaluating a microstructural evolution and mechanical property changes during irradiation. Multiscale modeling approaches are briefly presented here in the following order: nuclear interaction, atomic-level interaction, atomistic modeling, microstructural evolution modeling and mechanical property modeling. This is one of many possible methods for classifying techniques. The effort in developing physical multiscale models applied to radiation damage has been focused on a single crystal or single-grain materials.

  16. Stochastic isotropic hyperelastic materials: constitutive calibration and model selection

    Science.gov (United States)

    Mihai, L. Angela; Woolley, Thomas E.; Goriely, Alain

    2018-03-01

    Biological and synthetic materials often exhibit intrinsic variability in their elastic responses under large strains, owing to microstructural inhomogeneity or when elastic data are extracted from viscoelastic mechanical tests. For these materials, although hyperelastic models calibrated to mean data are useful, stochastic representations accounting also for data dispersion carry extra information about the variability of material properties found in practical applications. We combine finite elasticity and information theories to construct homogeneous isotropic hyperelastic models with random field parameters calibrated to discrete mean values and standard deviations of either the stress-strain function or the nonlinear shear modulus, which is a function of the deformation, estimated from experimental tests. These quantities can take on different values, corresponding to possible outcomes of the experiments. As multiple models can be derived that adequately represent the observed phenomena, we apply Occam's razor by providing an explicit criterion for model selection based on Bayesian statistics. We then employ this criterion to select a model among competing models calibrated to experimental data for rubber and brain tissue under single or multiaxial loads.

  17. Correlation length estimation in a polycrystalline material model

    International Nuclear Information System (INIS)

    Simonovski, I.; Cizelj, L.

    2005-01-01

    This paper deals with the correlation length estimated from a mesoscopic model of a polycrystalline material. The correlation length can be used in some macroscopic material models as a material parameter that describes the internal length. It can be estimated directly from the strain and stress fields calculated from a finite-element model, which explicitly accounts for the selected mesoscopic features such as the random orientation, shape and size of the grains. A crystal plasticity material model was applied in the finite-element analysis. Different correlation lengths were obtained depending on the used set of crystallographic orientations. We determined that the different sets of crystallographic orientations affect the general level of the correlation length, however, as the external load is increased the behaviour of correlation length is similar in all the analyzed cases. The correlation lengths also changed with the macroscopic load. If the load is below the yield strength the correlation lengths are constant, and are slightly higher than the average grain size. The correlation length can therefore be considered as an indicator of first plastic deformations in the material. Increasing the load above the yield strength creates shear bands that temporarily increase the values of the correlation lengths calculated from the strain fields. With a further load increase the correlation lengths decrease slightly but stay above the average grain size. (author)

  18. An in silico skin absorption model for fragrance materials.

    Science.gov (United States)

    Shen, Jie; Kromidas, Lambros; Schultz, Terry; Bhatia, Sneha

    2014-12-01

    Fragrance materials are widely used in cosmetics and other consumer products. The Research Institute for Fragrance Materials (RIFM) evaluates the safety of these ingredients and skin absorption is an important parameter in refining systemic exposure. Currently, RIFM's safety assessment process assumes 100% skin absorption when experimental data are lacking. This 100% absorption default is not supportable and alternate default values were proposed. This study aims to develop and validate a practical skin absorption model (SAM) specific for fragrance material. It estimates skin absorption based on the methodology proposed by Kroes et al. SAM uses three default absorption values based on the maximum flux (J(max)) - namely, 10%, 40%, and 80%. J(max) may be calculated by using QSAR models that determine octanol/water partition coefficient (K(ow)), water solubility (S) and permeability coefficient (K(p)). Each of these QSAR models was refined and a semi-quantitative mechanistic model workflow is presented. SAM was validated with a large fragrance-focused data set containing 131 materials. All resulted in predicted values fitting the three-tiered absorption scenario based on Jmax ranges. This conservative SAM may be applied when fragrance material lack skin absorption data. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Laser cutting of laminated sheet material: a modeling exercise

    Science.gov (United States)

    de Graaf, Roelof F.; Meijer, Johan

    1997-08-01

    Laser cutting has been investigated for a number of aluminum-synthetic laminates, newly developed materials for the aeronautic and automotive industry. The materials consist of alternating aluminum and synthetic layers. It is shown that these materials can be cut at rates comparable to those of homogeneous aluminum alloys. The cuts show little dross attachment. Also some damage on the synthetic layers has to be accepted. These results initiated a modeling exercise, which resulted in a numerical simulation code. The applied cutting model is based on describing the material in several horizontal layers, each with its own specific thermophysical and optical properties. The separate layers are coupled by known mass, energy and force balanced equations.

  20. Diffusion in energy materials: Governing dynamics from atomistic modelling

    Science.gov (United States)

    Parfitt, D.; Kordatos, A.; Filippatos, P. P.; Chroneos, A.

    2017-09-01

    Understanding diffusion in energy materials is critical to optimising the performance of solid oxide fuel cells (SOFCs) and batteries both of which are of great technological interest as they offer high efficiency for cleaner energy conversion and storage. In the present review, we highlight the insights offered by atomistic modelling of the ionic diffusion mechanisms in SOFCs and batteries and how the growing predictive capability of high-throughput modelling, together with our new ability to control compositions and microstructures, will produce advanced materials that are designed rather than chosen for a given application. The first part of the review focuses on the oxygen diffusion mechanisms in cathode and electrolyte materials for SOFCs and in particular, doped ceria and perovskite-related phases with anisotropic structures. The second part focuses on disordered oxides and two-dimensional materials as these are very promising systems for battery applications.

  1. Review of probabilistic models of the strength of composite materials

    International Nuclear Information System (INIS)

    Sutherland, L.S.; Guedes Soares, C.

    1997-01-01

    The available literature concerning probabilistic models describing the strength of composite materials has been reviewed to highlight the important aspects of this behaviour which will be of interest to the modelling and analysis of a complex system. The success with which these theories have been used to predict experimental results has been discussed. Since the brittle reinforcement phase largely controls the strength of composites, the probabilistic theories used to describe the strength of brittle materials, fibres and bundles of fibres have been detailed. The use of these theories to predict the strength of composite materials has been considered, along with further developments incorporating the damage accumulation observed in the failure of such materials. Probabilistic theories of the strength of short-fibre composites have been outlined. Emphasis has been placed throughout on straightforward engineering explanations of these theories and how they may be used, rather than providing comprehensive statistical descriptions

  2. Energy-based ferromagnetic material model with magnetic anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Steentjes, Simon, E-mail: simon.steentjes@iem.rwth-aachen.de [Institute of Electrical Machines - RWTH Aachen University, Schinkelstr. 4, D-52056 Aachen (Germany); Henrotte, François, E-mail: francois.henrotte@uclouvain.be [Institute of Mechanics Materials and Civil Engineering - UCL, Av. G. Lemaître 4-6, B-1348 Louvain-la-Neuve (Belgium); Hameyer, Kay [Institute of Electrical Machines - RWTH Aachen University, Schinkelstr. 4, D-52056 Aachen (Germany)

    2017-03-01

    Non-oriented soft magnetic materials are commonly assumed to be magnetically isotropic. However, due to the rolling process a preferred direction exists along the rolling direction. This uniaxial magnetic anisotropy, and the related magnetostriction effect, are critical to the accurate calculation of iron losses and magnetic forces in rotating electrical machines. This paper proposes an extension of an isotropic energy-based vector hysteresis model to account for these two effects. - Highlights: • Energy-based vector hysteresis model with magnetic anisotropy. • Two-scale model to account for pinning field distribution. • Pinning force and reluctivity are extended to anisotropic case.

  3. A variational multiscale constitutive model for nanocrystalline materials

    KAUST Repository

    Gurses, Ercan

    2011-03-01

    This paper presents a variational multi-scale constitutive model in the finite deformation regime capable of capturing the mechanical behavior of nanocrystalline (nc) fcc metals. The nc-material is modeled as a two-phase material consisting of a grain interior phase and a grain boundary effected zone (GBAZ). A rate-independent isotropic porous plasticity model is employed to describe the GBAZ, whereas a crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The constitutive models of both phases are formulated in a small strain framework and extended to finite deformation by use of logarithmic and exponential mappings. Assuming the rule of mixtures, the overall behavior of a given grain is obtained via volume averaging. The scale transition from a single grain to a polycrystal is achieved by Taylor-type homogenization where a log-normal grain size distribution is assumed. It is shown that the proposed model is able to capture the inverse HallPetch effect, i.e., loss of strength with grain size refinement. Finally, the predictive capability of the model is validated against experimental results on nanocrystalline copper and nickel. © 2010 Elsevier Ltd. All rights reserved.

  4. Modeling of Impact Properties of Auxetic Materials Phase 2

    Science.gov (United States)

    2014-03-01

    over the more conventional engineering materials, such as higher indentation resistance, higher fracture toughness and greater resistance to impact...entrant materials were fixed at L=H=1.0 mm from which the rib lengths and thickness for each test case could be calculated using Equations (5) and (6...specimen. In all finite element models, the horizontal (2h) and diagonal (l) ribs shown in Figure 2 were idealized by ten and five shell elements

  5. A model of engineering materials inspired by biological tissues

    Directory of Open Access Journals (Sweden)

    Holeček M.

    2009-12-01

    Full Text Available The perfect ability of living tissues to control and adapt their mechanical properties to varying external conditions may be an inspiration for designing engineering materials. An interesting example is the smooth muscle tissue since this "material" is able to change its global mechanical properties considerably by a subtle mechanism within individual muscle cells. Multi-scale continuum models may be useful in designing essentially simpler engineering materials having similar properties. As an illustration we present the model of an incompressible material whose microscopic structure is formed by flexible, soft but incompressible balls connected mutually by linear springs. This simple model, however, shows a nontrivial nonlinear behavior caused by the incompressibility of balls and is very sensitive on some microscopic parameters. It may elucidate the way by which "small" changes in biopolymer networks within individual muscular cells may control the stiffness of the biological tissue, which outlines a way of designing similar engineering materials. The 'balls and springs' material presents also prestress-induced stiffening and allows elucidating a contribution of extracellular fluids into the tissue’s viscous properties.

  6. Multiscale modelling for better hygrothermal prediction of porous building materials

    Directory of Open Access Journals (Sweden)

    Belarbi Rafik

    2018-01-01

    Full Text Available The aim of this work is to understand the influence of the microstructuralgeometric parameters of porous building materials on the mechanisms of coupled heat, air and moisture transfers, in order to predict behavior of the building to control and improve it in its durability. For this a multi-scale approach is implemented. It consists of mastering the dominant physical phenomena and their interactions on the microscopic scale. Followed by a dual-scale modelling, microscopic-macroscopic, of coupled heat, air and moisture transfers that takes into account the intrinsic properties and microstructural topology of the material using X-ray tomography combined with the correlation of 3D images were undertaken. In fact, the hygromorphicbehavior under hydric solicitations was considered. In this context, a model of coupled heat, air and moisture transfer in porous building materials was developed using the periodic homogenization technique. These informations were subsequently implemented in a dynamic computation simulation that model the hygrothermalbehaviourof material at the scale of the envelopes and indoor air quality of building. Results reveals that is essential to consider the local behaviors of materials, but also to be able to measure and quantify the evolution of its properties on a macroscopic scale from the youngest age of the material. In addition, comparisons between experimental and numerical temperature and relative humidity profilesin multilayers wall and in building envelopes were undertaken. Good agreements were observed.

  7. Hierarchical material models for fragmentation modeling in NIF-ALE-AMR

    International Nuclear Information System (INIS)

    Fisher, A C; Masters, N D; Koniges, A E; Anderson, R W; Gunney, B T N; Wang, P; Becker, R; Dixit, P; Benson, D J

    2008-01-01

    Fragmentation is a fundamental process that naturally spans micro to macroscopic scales. Recent advances in algorithms, computer simulations, and hardware enable us to connect the continuum to microstructural regimes in a real simulation through a heterogeneous multiscale mathematical model. We apply this model to the problem of predicting how targets in the NIF chamber dismantle, so that optics and diagnostics can be protected from damage. The mechanics of the initial material fracture depend on the microscopic grain structure. In order to effectively simulate the fragmentation, this process must be modeled at the subgrain level with computationally expensive crystal plasticity models. However, there are not enough computational resources to model the entire NIF target at this microscopic scale. In order to accomplish these calculations, a hierarchical material model (HMM) is being developed. The HMM will allow fine-scale modeling of the initial fragmentation using computationally expensive crystal plasticity, while the elements at the mesoscale can use polycrystal models, and the macroscopic elements use analytical flow stress models. The HMM framework is built upon an adaptive mesh refinement (AMR) capability. We present progress in implementing the HMM in the NIF-ALE-AMR code. Additionally, we present test simulations relevant to NIF targets

  8. Hierarchical material models for fragmentation modeling in NIF-ALE-AMR

    Energy Technology Data Exchange (ETDEWEB)

    Fisher, A C; Masters, N D; Koniges, A E; Anderson, R W; Gunney, B T N; Wang, P; Becker, R [Lawrence Livermore National Laboratory, PO Box 808, Livermore, CA 94551 (United States); Dixit, P; Benson, D J [University of California San Diego, 9500 Gilman Dr., La Jolla. CA 92093 (United States)], E-mail: fisher47@llnl.gov

    2008-05-15

    Fragmentation is a fundamental process that naturally spans micro to macroscopic scales. Recent advances in algorithms, computer simulations, and hardware enable us to connect the continuum to microstructural regimes in a real simulation through a heterogeneous multiscale mathematical model. We apply this model to the problem of predicting how targets in the NIF chamber dismantle, so that optics and diagnostics can be protected from damage. The mechanics of the initial material fracture depend on the microscopic grain structure. In order to effectively simulate the fragmentation, this process must be modeled at the subgrain level with computationally expensive crystal plasticity models. However, there are not enough computational resources to model the entire NIF target at this microscopic scale. In order to accomplish these calculations, a hierarchical material model (HMM) is being developed. The HMM will allow fine-scale modeling of the initial fragmentation using computationally expensive crystal plasticity, while the elements at the mesoscale can use polycrystal models, and the macroscopic elements use analytical flow stress models. The HMM framework is built upon an adaptive mesh refinement (AMR) capability. We present progress in implementing the HMM in the NIF-ALE-AMR code. Additionally, we present test simulations relevant to NIF targets.

  9. Molecular modeling of protein materials: case study of elastin

    International Nuclear Information System (INIS)

    Tarakanova, Anna; Buehler, Markus J

    2013-01-01

    Molecular modeling of protein materials is a quickly growing area of research that has produced numerous contributions in fields ranging from structural engineering to medicine and biology. We review here the history and methods commonly employed in molecular modeling of protein materials, emphasizing the advantages for using modeling as a complement to experimental work. We then consider a case study of the protein elastin, a critically important ‘mechanical protein’ to exemplify the approach in an area where molecular modeling has made a significant impact. We outline the progression of computational modeling studies that have considerably enhanced our understanding of this important protein which endows elasticity and recoil to the tissues it is found in, including the skin, lungs, arteries and the heart. A vast collection of literature has been directed at studying the structure and function of this protein for over half a century, the first molecular dynamics study of elastin being reported in the 1980s. We review the pivotal computational works that have considerably enhanced our fundamental understanding of elastin's atomistic structure and its extraordinary qualities—focusing on two in particular: elastin's superb elasticity and the inverse temperature transition—the remarkable ability of elastin to take on a more structured conformation at higher temperatures, suggesting its effectiveness as a biomolecular switch. Our hope is to showcase these methods as both complementary and enriching to experimental approaches that have thus far dominated the study of most protein-based materials. (topical review)

  10. Maintenance modeling and optimization integrating human and material resources

    International Nuclear Information System (INIS)

    Martorell, S.; Villamizar, M.; Carlos, S.; Sanchez, A.

    2010-01-01

    Maintenance planning is a subject of concern to many industrial sectors as plant safety and business depend on it. Traditionally, the maintenance planning is formulated in terms of a multi-objective optimization (MOP) problem where reliability, availability, maintainability and cost (RAM+C) act as decision criteria and maintenance strategies (i.e. maintenance tasks intervals) act as the only decision variables. However the appropriate development of each maintenance strategy depends not only on the maintenance intervals but also on the resources (human and material) available to implement such strategies. Thus, the effect of the necessary resources on RAM+C needs to be modeled and accounted for in formulating the MOP affecting the set of objectives and constraints. In this paper RAM+C models to explicitly address the effect of human resources and material resources (spare parts) on RAM+C criteria are proposed. This extended model allows accounting for explicitly how the above decision criteria depends on the basic model parameters representing the type of strategies, maintenance intervals, durations, human resources and material resources. Finally, an application case is performed to optimize the maintenance plan of a motor-driven pump equipment considering as decision variables maintenance and test intervals and human and material resources.

  11. Constitutive modeling of multiphase materials including phase transformations

    NARCIS (Netherlands)

    Perdahcioglu, Emin Semih; Geijselaers, Hubertus J.M.; Khan, A.S.; Meredith, C; Farrokh, B

    2011-01-01

    A constitutive model is developed for materials involving two or more different phases in their microstructure such as DP (Dual Phase) or TRIP (TRansformation Induced Plasticity) steels. Homogenization of the response of the phases is achieved by the Mean-Field method. One of the phases in TRIP

  12. Maintenance modeling and optimization integrating human and material resources

    Energy Technology Data Exchange (ETDEWEB)

    Martorell, S., E-mail: smartore@iqn.upv.e [Dpto. Ingenieria Quimica y Nuclear, Universidad Politecnica Valencia (Spain); Villamizar, M.; Carlos, S. [Dpto. Ingenieria Quimica y Nuclear, Universidad Politecnica Valencia (Spain); Sanchez, A. [Dpto. Estadistica e Investigacion Operativa Aplicadas y Calidad, Universidad Politecnica Valencia (Spain)

    2010-12-15

    Maintenance planning is a subject of concern to many industrial sectors as plant safety and business depend on it. Traditionally, the maintenance planning is formulated in terms of a multi-objective optimization (MOP) problem where reliability, availability, maintainability and cost (RAM+C) act as decision criteria and maintenance strategies (i.e. maintenance tasks intervals) act as the only decision variables. However the appropriate development of each maintenance strategy depends not only on the maintenance intervals but also on the resources (human and material) available to implement such strategies. Thus, the effect of the necessary resources on RAM+C needs to be modeled and accounted for in formulating the MOP affecting the set of objectives and constraints. In this paper RAM+C models to explicitly address the effect of human resources and material resources (spare parts) on RAM+C criteria are proposed. This extended model allows accounting for explicitly how the above decision criteria depends on the basic model parameters representing the type of strategies, maintenance intervals, durations, human resources and material resources. Finally, an application case is performed to optimize the maintenance plan of a motor-driven pump equipment considering as decision variables maintenance and test intervals and human and material resources.

  13. Cataloging, Processing, Administering AV Materials. A Model for Wisconsin Schools.

    Science.gov (United States)

    Little, Robert D., Ed.

    The objective of this cataloging manual is to recommend specific methods for cataloging audiovisual materials for use in individual school media centers. The following types of audiovisual aids are included: educational games, filmstrips, flat graphics, kits, models, motion pictures, realia, records, slides, sound filmstrips, tapes,…

  14. A plane stress softening plasticity model for orthotropic materials

    NARCIS (Netherlands)

    Lourenço, P.B.; Borst, R. de; Rots, J.G.

    1997-01-01

    A plane stress model has been developed for quasi-brittle orthotropic materials. The theory of plasticity, which is adopted to describe the inelastic behaviour, utilizes modern algorithmic concepts, including an implicit Euler backward return mapping scheme, a local Newton-Raphson method and a

  15. Developments in consequence modelling of accidental releases of hazardous materials

    NARCIS (Netherlands)

    Boot, H.

    2012-01-01

    The modelling of consequences of releases of hazardous materials in the Netherlands has mainly been based on the “Yellow Book”. Although there is no updated version of this official publication, new insights have been developed during the last decades. This article will give an overview of new

  16. Numerical Modeling of Multi-Material Active Magnetic Regeneration

    DEFF Research Database (Denmark)

    Nielsen, Kaspar Kirstein; Engelbrecht, Kurt; Bahl, Christian Robert Haffenden

    2009-01-01

    and the specific heat as a function of temperature at constant magnetic field. A 2.5-dimensional numerical model of an active magnetic regenerative (AMR) refrigerator device is presented. The experimental AMR located at Risø DTU has been equipped with a parallel-plate based regenerator made of the two materials...

  17. A comprehensive dynamic modeling approach for giant magnetostrictive material actuators

    International Nuclear Information System (INIS)

    Gu, Guo-Ying; Zhu, Li-Min; Li, Zhi; Su, Chun-Yi

    2013-01-01

    In this paper, a comprehensive modeling approach for a giant magnetostrictive material actuator (GMMA) is proposed based on the description of nonlinear electromagnetic behavior, the magnetostrictive effect and frequency response of the mechanical dynamics. It maps the relationships between current and magnetic flux at the electromagnetic part to force and displacement at the mechanical part in a lumped parameter form. Towards this modeling approach, the nonlinear hysteresis effect of the GMMA appearing only in the electrical part is separated from the linear dynamic plant in the mechanical part. Thus, a two-module dynamic model is developed to completely characterize the hysteresis nonlinearity and the dynamic behaviors of the GMMA. The first module is a static hysteresis model to describe the hysteresis nonlinearity, and the cascaded second module is a linear dynamic plant to represent the dynamic behavior. To validate the proposed dynamic model, an experimental platform is established. Then, the linear dynamic part and the nonlinear hysteresis part of the proposed model are identified in sequence. For the linear part, an approach based on axiomatic design theory is adopted. For the nonlinear part, a Prandtl–Ishlinskii model is introduced to describe the hysteresis nonlinearity and a constrained quadratic optimization method is utilized to identify its coefficients. Finally, experimental tests are conducted to demonstrate the effectiveness of the proposed dynamic model and the corresponding identification method. (paper)

  18. STRESS MODELING IN COMPOSITE PRODUCTS USING STANDARD OPTICALLY SENSITIVE MATERIAL

    Directory of Open Access Journals (Sweden)

    Elifkhan K. Agakhanov

    2017-01-01

    Full Text Available Abstract. Objectives The problem of physically modelling stresses in a compound solid body of revolution having a complex shape and with a complex load distribution is considered. According to the similarity criteria of stress, deformations and displacements from the volume forces decrease proportionally to the scale of similarity of geometric dimensions, which complicates their direct modelling by the photoelasticity method typically using models made from epoxy materials. Methods Based on the principle of the independent action of the forces, the initial problem is represented as the sum of two problems. In the first uniform problem, the stresses in the body of revolution from the centrifugal forces are simulated by the conventional “freezing” method. In order to solve the second nonuniform problem, the stresses in the region of the model, corresponding to the acting centrifugal forces, are “frozen”. The models are glued in a natural state at room temperature, and the compound model is annealed. Results The band patterns in sections as well as components of radial, tangential and axial stresses on contours and in sections of models are obtained by the methods of normal transmission and numerical integration of the equilibrium equation. According to the modelling criteria, the formula for the transition from stresses in models to stresses in the natural structure is established. The results of the analysis of the effect of a body's material density ratio on the stress state of the entire structure are obtained. Conclusion  Axial stresses have insignificant value as compared to radial and tangential stresses; in addition, the ratio of the densities of the compound body has both a quantitative and qualitative influence on the stress state of the structure.

  19. Testing of materials and scale models for impact limiters

    International Nuclear Information System (INIS)

    Maji, A.K.; Satpathi, D.; Schryer, H.L.

    1991-01-01

    Aluminum Honeycomb and Polyurethane foam specimens were tested to obtain experimental data on the material's behavior under different loading conditions. This paper reports the dynamic tests conducted on the materials and on the design and testing of scale models made out of these open-quotes Impact Limiters,close quotes as they are used in the design of transportation casks. Dynamic tests were conducted on a modified Charpy Impact machine with associated instrumentation, and compared with static test results. A scale model testing setup was designed and used for preliminary tests on models being used by current designers of transportation casks. The paper presents preliminary results of the program. Additional information will be available and reported at the time of presentation of the paper

  20. Plasticity models of material variability based on uncertainty quantification techniques

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Reese E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Rizzi, Francesco [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Boyce, Brad [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Templeton, Jeremy Alan [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Ostien, Jakob [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2017-11-01

    The advent of fabrication techniques like additive manufacturing has focused attention on the considerable variability of material response due to defects and other micro-structural aspects. This variability motivates the development of an enhanced design methodology that incorporates inherent material variability to provide robust predictions of performance. In this work, we develop plasticity models capable of representing the distribution of mechanical responses observed in experiments using traditional plasticity models of the mean response and recently developed uncertainty quantification (UQ) techniques. Lastly, we demonstrate that the new method provides predictive realizations that are superior to more traditional ones, and how these UQ techniques can be used in model selection and assessing the quality of calibrated physical parameters.

  1. Material constitutive model for jointed rock mass behavior

    International Nuclear Information System (INIS)

    Thomas, R.K.

    1980-11-01

    A material constitutive model is presented for jointed rock masses which exhibit preferred planes of weakness. This model is intended for use in finite element computations. The immediate application is the thermomechanical modelling of a nuclear waste repository in hard rock, but the model seems appropriate for a variety of other static and dynamic geotechnical problems as well. Starting with the finite element representations of a two-dimensional elastic body, joint planes are introduced in an explicit manner by direct modification of the material stiffness matrix. A novel feature of this approach is that joint set orientations, lengths and spacings are readily assigned through the sampling of a population distribution statistically determined from field measurement data. The result is that the fracture characteristics of the formations have the same statistical distribution in the model as is observed in the field. As a demonstration of the jointed rock mass model, numerical results are presented for the example problem of stress concentration at an underground opening

  2. Modeling plasma/material interactions during a tokamak disruption

    International Nuclear Information System (INIS)

    Hassanein, A.; Konkashbaev, I.

    1994-10-01

    Disruptions in tokamak reactors are still of serious concern and present a potential obstacle for successful operation and reliable design. Erosion of plasma-facing materials due to thermal energy dump during a disruption can severely limit the lifetime of these components, therefore diminishing the economic feasibility of the reactor. A comprehensive disruption erosion model which takes into account the interplay of major physical processes during plasma-material interaction has been developed. The initial burst of energy delivered to facing-material surfaces from direct impact of plasma particles causes sudden ablation of these materials. As a result, a vapor cloud is formed in front of the incident plasma particles. Shortly thereafter, the plasma particles are stopped in the vapor cloud, heating and ionizing it. The energy transmitted to the material surfaces is then dominated by photon radiation. It is the dynamics and the evolution of this vapor cloud that finally determines the net erosion rate and, consequently, the component lifetime. The model integrates with sufficient detail and in a self-consistent way, material thermal evolution response, plasma-vapor interaction physics, vapor hydrodynamics, and radiation transport in order to realistically simulate the effects of a plasma disruption on plasma-facing components. Candidate materials such as beryllium and carbon have been analyzed. The dependence of the net erosion rate on disruption physics and various parameters was analyzed and is discussed

  3. Overview of thermal conductivity models of anisotropic thermal insulation materials

    Science.gov (United States)

    Skurikhin, A. V.; Kostanovsky, A. V.

    2017-11-01

    Currently, the most of existing materials and substances under elaboration are anisotropic. It makes certain difficulties in the study of heat transfer process. Thermal conductivity of the materials can be characterized by tensor of the second order. Also, the parallelism between the temperature gradient vector and the density of heat flow vector is violated in anisotropic thermal insulation materials (TIM). One of the most famous TIM is a family of integrated thermal insulation refractory material («ITIRM»). The main component ensuring its properties is the «inflated» vermiculite. Natural mineral vermiculite is ground into powder state, fired by gas burner for dehydration, and its precipitate is then compressed. The key feature of thus treated batch of vermiculite is a package structure. The properties of the material lead to a slow heating of manufactured products due to low absorption and high radiation reflection. The maximum of reflection function is referred to infrared spectral region. A review of current models of heat propagation in anisotropic thermal insulation materials is carried out, as well as analysis of their thermal and optical properties. A theoretical model, which allows to determine the heat conductivity «ITIRM», can be useful in the study of thermal characteristics such as specific heat capacity, temperature conductivity, and others. Materials as «ITIRM» can be used in the metallurgy industry, thermal energy and nuclear power-engineering.

  4. Bayesian Regression of Thermodynamic Models of Redox Active Materials

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, Katherine [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-09-01

    Finding a suitable functional redox material is a critical challenge to achieving scalable, economically viable technologies for storing concentrated solar energy in the form of a defected oxide. Demonstrating e ectiveness for thermal storage or solar fuel is largely accomplished by using a thermodynamic model derived from experimental data. The purpose of this project is to test the accuracy of our regression model on representative data sets. Determining the accuracy of the model includes parameter tting the model to the data, comparing the model using di erent numbers of param- eters, and analyzing the entropy and enthalpy calculated from the model. Three data sets were considered in this project: two demonstrating materials for solar fuels by wa- ter splitting and the other of a material for thermal storage. Using Bayesian Inference and Markov Chain Monte Carlo (MCMC), parameter estimation was preformed on the three data sets. Good results were achieved, except some there was some deviations on the edges of the data input ranges. The evidence values were then calculated in a variety of ways and used to compare models with di erent number of parameters. It was believed that at least one of the parameters was unnecessary and comparing evidence values demonstrated that the parameter was need on one data set and not signi cantly helpful on another. The entropy was calculated by taking the derivative in one variable and integrating over another. and its uncertainty was also calculated by evaluating the entropy over multiple MCMC samples. Afterwards, all the parts were written up as a tutorial for the Uncertainty Quanti cation Toolkit (UQTk).

  5. Computational modeling, optimization and manufacturing simulation of advanced engineering materials

    CERN Document Server

    2016-01-01

    This volume presents recent research work focused in the development of adequate theoretical and numerical formulations to describe the behavior of advanced engineering materials.  Particular emphasis is devoted to applications in the fields of biological tissues, phase changing and porous materials, polymers and to micro/nano scale modeling. Sensitivity analysis, gradient and non-gradient based optimization procedures are involved in many of the chapters, aiming at the solution of constitutive inverse problems and parameter identification. All these relevant topics are exposed by experienced international and inter institutional research teams resulting in a high level compilation. The book is a valuable research reference for scientists, senior undergraduate and graduate students, as well as for engineers acting in the area of computational material modeling.

  6. Non-linear modeling of active biohybrid materials

    KAUST Repository

    Paetsch, C.

    2013-11-01

    Recent advances in engineered muscle tissue attached to a synthetic substrate motivate the development of appropriate constitutive and numerical models. Applications of active materials can be expanded by using robust, non-mammalian muscle cells, such as those of Manduca sexta. In this study, we propose a model to assist in the analysis of biohybrid constructs by generalizing a recently proposed constitutive law for Manduca muscle tissue. The continuum model accounts (i) for the stimulation of muscle fibers by introducing multiple stress-free reference configurations for the active and passive states and (ii) for the hysteretic response by specifying a pseudo-elastic energy function. A simple example representing uniaxial loading-unloading is used to validate and verify the characteristics of the model. Then, based on experimental data of muscular thin films, a more complex case shows the qualitative potential of Manduca muscle tissue in active biohybrid constructs. © 2013 Elsevier Ltd. All rights reserved.

  7. Modeling of high energy laser ignition of energetic materials

    International Nuclear Information System (INIS)

    Lee, Kyung-cheol; Kim, Ki-hong; Yoh, Jack J.

    2008-01-01

    We present a model for simulating high energy laser heating and ignition of confined energetic materials. The model considers the effect of irradiating a steel plate with long laser pulses and continuous lasers of several kilowatts and the thermal response of well-characterized high explosives for ignition. Since there is enough time for the thermal wave to propagate into the target and to create a region of hot spot in the high explosives, electron thermal diffusion of ultrashort (femto- and picosecond) lasing is ignored; instead, heat diffusion of absorbed laser energy in the solid target is modeled with thermal decomposition kinetic models of high explosives. Numerically simulated pulsed-laser heating of solid target and thermal explosion of cyclotrimethylenetrinitramine, triaminotrinitrobenzene, and octahydrotetranitrotetrazine are compared to experimental results. The experimental and numerical results are in good agreement

  8. Mathematical modelling of the laser processing of compose materials

    International Nuclear Information System (INIS)

    Gromyko, G.F.; Matsuka, N.P.

    2009-01-01

    Expansion of the protective coating scope led to the necessity to work out lower priced methods of treatment of machine elements. Making of an adequate, agreed with process features, mathematical model and development of effective methods of its solving are promising directions in this fields. In this paper the mathematical model of high-temperature laser treatment via moving source of pre-sprayed with composite powder padding is developed. Presented model describes accurately enough the heat processes taking place by laser processing of machine elements. Varying input parameters of model (laser power, temperature and composition of environment, characteristics and quantitative composition of using materials, etc.) one can get a cheap tool of preliminary estimates for wide range of similar problems. Difference method, based on process physical features and taking into account main process-dependent parameters had been developed for solving of the built system of nonlinear equations. (authors)

  9. NUMERICAL MODELLING OF THE SOIL BEHAVIOUR BY USING NEWLY DEVELOPED ADVANCED MATERIAL MODEL

    Directory of Open Access Journals (Sweden)

    Jan Veselý

    2017-02-01

    Full Text Available This paper describes a theoretical background, implementation and validation of the newly developed Jardine plastic hardening-softening model (JPHS model, which can be used for numerical modelling of the soils behaviour. Although the JPHS model is based on the elasto-plastic theory, like the Mohr-Coulomb model that is widely used in geotechnics, it contains some improvements, which removes the main disadvantages of the MC model. The presented model is coupled with an isotopically hardening and softening law, non-linear elastic stress-strain law, non-associated elasto-plastic material description and a cap yield surface. The validation of the model is done by comparing the numerical results with real measured data from the laboratory tests and by testing of the model on the real project of the tunnel excavation. The 3D numerical analysis is performed and the comparison between the JPHS, Mohr-Coulomb, Modified Cam-Clay, Hardening small strain model and monitoring in-situ data is done.

  10. Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

    Science.gov (United States)

    Liou, Frank; Newkirk, Joseph; Fan, Zhiqiang; Sparks, Todd; Chen, Xueyang; Fletcher, Kenneth; Zhang, Jingwei; Zhang, Yunlu; Kumar, Kannan Suresh; Karnati, Sreekar

    2015-01-01

    The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition

  11. Life Modeling and Design Analysis for Ceramic Matrix Composite Materials

    Science.gov (United States)

    2005-01-01

    The primary research efforts focused on characterizing and modeling static failure, environmental durability, and creep-rupture behavior of two classes of ceramic matrix composites (CMC), silicon carbide fibers in a silicon carbide matrix (SiC/SiC) and carbon fibers in a silicon carbide matrix (C/SiC). An engineering life prediction model (Probabilistic Residual Strength model) has been developed specifically for CMCs. The model uses residual strength as the damage metric for evaluating remaining life and is posed probabilistically in order to account for the stochastic nature of the material s response. In support of the modeling effort, extensive testing of C/SiC in partial pressures of oxygen has been performed. This includes creep testing, tensile testing, half life and residual tensile strength testing. C/SiC is proposed for airframe and propulsion applications in advanced reusable launch vehicles. Figures 1 and 2 illustrate the models predictive capabilities as well as the manner in which experimental tests are being selected in such a manner as to ensure sufficient data is available to aid in model validation.

  12. Mathematical model predicts the elastic behavior of composite materials

    Directory of Open Access Journals (Sweden)

    Zoroastro de Miranda Boari

    2005-03-01

    Full Text Available Several studies have found that the non-uniform distribution of reinforcing elements in a composite material can markedly influence its characteristics of elastic and plastic deformation and that a composite's overall response is influenced by the physical and geometrical properties of its reinforcing phases. The finite element method, Eshelby's method and dislocation mechanisms are usually employed in formulating a composite's constitutive response. This paper discusses a composite material containing SiC particles in an aluminum matrix. The purpose of this study was to find the correlation between a composite material's particle distribution and its resistance, and to come up with a mathematical model to predict the material's elastic behavior. The proposed formulation was applied to establish the thermal stress field in the aluminum-SiC composite resulting from its fabrication process, whereby the mixture is prepared at 600 °C and the composite material is used at room temperature. The analytical results, which are presented as stress probabilities, were obtained from the mathematical model proposed herein. These results were compared with the numerical ones obtained by the FEM method. A comparison of the results of the two methods, analytical and numerical, reveals very similar average thermal stress values. It is also shown that Maxwell-Boltzmann's distribution law can be applied to identify the correlation between the material's particle distribution and its resistance, using Eshelby's thermal stresses.

  13. Modeling of space environment impact on nanostructured materials. General principles

    Science.gov (United States)

    Voronina, Ekaterina; Novikov, Lev

    2016-07-01

    In accordance with the resolution of ISO TC20/SC14 WG4/WG6 joint meeting, Technical Specification (TS) 'Modeling of space environment impact on nanostructured materials. General principles' which describes computer simulation methods of space environment impact on nanostructured materials is being prepared. Nanomaterials surpass traditional materials for space applications in many aspects due to their unique properties associated with nanoscale size of their constituents. This superiority in mechanical, thermal, electrical and optical properties will evidently inspire a wide range of applications in the next generation spacecraft intended for the long-term (~15-20 years) operation in near-Earth orbits and the automatic and manned interplanetary missions. Currently, ISO activity on developing standards concerning different issues of nanomaterials manufacturing and applications is high enough. Most such standards are related to production and characterization of nanostructures, however there is no ISO documents concerning nanomaterials behavior in different environmental conditions, including the space environment. The given TS deals with the peculiarities of the space environment impact on nanostructured materials (i.e. materials with structured objects which size in at least one dimension lies within 1-100 nm). The basic purpose of the document is the general description of the methodology of applying computer simulation methods which relate to different space and time scale to modeling processes occurring in nanostructured materials under the space environment impact. This document will emphasize the necessity of applying multiscale simulation approach and present the recommendations for the choice of the most appropriate methods (or a group of methods) for computer modeling of various processes that can occur in nanostructured materials under the influence of different space environment components. In addition, TS includes the description of possible

  14. Mathematical modeling of phase interaction taking place in materials processing

    International Nuclear Information System (INIS)

    Zinigrad, M.

    2002-01-01

    The quality of metallic products depends on their composition and structure. The composition and the structure are determined by various physico-chemical and technological factors. One of the most important and complicated problems in the modern industry is to obtain materials with required composition, structure and properties. For example, deep refining is a difficult task by itself, but the problem of obtaining the material with the required specific level of refining is much more complicated. It will take a lot of time and will require a lot of expanses to solve this problem empirically and the result will be far from the optimal solution. The most effective way to solve such problems is to carry out research in two parallel direction. Comprehensive analysis of thermodynamics, kinetics and mechanisms of the processes taking place at solid-liquid-gaseous phase interface and building of the clear well-based physico-chemical model of the above processes taking into account their interaction. Development of mathematical models of the specific technologies which would allow to optimize technological processes and to ensure obtaining of the required properties of the products by choosing the optimal composition of the raw materials. We apply the above unique methods. We developed unique methods of mathematical modeling of phase interaction at high temperatures. These methods allows us to build models taking into account: thermodynamic characteristics of the processes, influence of the initial composition and temperature on the equilibrium state of the reactions, kinetics of homogeneous and heterogeneous processes, influence of the temperature, composition, speed of the gas flows, hydrodynamic and thermal factors on the velocity of the chemical and diffusion processes. The models can be implemented in optimization of various metallurgical processes in manufacturing of steels and non-ferrous alloys as well as in materials refining, alloying with special additives

  15. Modeling organohalide perovskites for photovoltaic applications: From materials to interfaces

    Science.gov (United States)

    de Angelis, Filippo

    2015-03-01

    The field of hybrid/organic photovoltaics has been revolutionized in 2012 by the first reports of solid-state solar cells based on organohalide perovskites, now topping at 20% efficiency. First-principles modeling has been widely applied to the dye-sensitized solar cells field, and more recently to perovskite-based solar cells. The computational design and screening of new materials has played a major role in advancing the DSCs field. Suitable modeling strategies may also offer a view of the crucial heterointerfaces ruling the device operational mechanism. I will illustrate how simulation tools can be employed in the emerging field of perovskite solar cells. The performance of the proposed simulation toolbox along with the fundamental modeling strategies are presented using selected examples of relevant materials and interfaces. The main issue with hybrid perovskite modeling is to be able to accurately describe their structural, electronic and optical features. These materials show a degree of short range disorder, due to the presence of mobile organic cations embedded within the inorganic matrix, requiring to average their properties over a molecular dynamics trajectory. Due to the presence of heavy atoms (e.g. Sn and Pb) their electronic structure must take into account spin-orbit coupling (SOC) in an effective way, possibly including GW corrections. The proposed SOC-GW method constitutes the basis for tuning the materials electronic and optical properties, rationalizing experimental trends. Modeling charge generation in perovskite-sensitized TiO2 interfaces is then approached based on a SOC-DFT scheme, describing alignment of energy levels in a qualitatively correct fashion. The role of interfacial chemistry on the device performance is finally discussed. The research leading to these results has received funding from the European Union Seventh Framework Programme [FP7/2007 2013] under Grant Agreement No. 604032 of the MESO project.

  16. Multi-physics modeling of plasma-material interactions

    Science.gov (United States)

    Lasa, Ane; Green, David; Canik, John; Younkin, Timothy; Blondel, Sophie; Wirth, Brian; Drobny, Jon; Curreli, Davide

    2017-10-01

    Plasma-material interactions (PMI) can degrade both plasma and material properties. Often, PMI modeling focuses on either the plasma or surface. Here, we present an integrated model with high-fidelity codes coupled within the IPS framework that self-consistently addresses PMI. The model includes, calculation of spatially resolved influx of plasma and impurities to the surface and their implantation; surface erosion and roughening; evolution of implanted species and sub-surface composition; and transport of eroded particles across the plasma and their re-deposition. The model is applied and successfully compared to dedicated PISCES linear device experiments, where a tungsten (W) target was exposed to helium (He) plasma. The present contribution will focus on the analysis of W erosion, He retention and sub-surface gas bubble and surface composition evolution, under the different He plasma conditions across the surface that are calculated by impurity transport modeling. Impact of code coupling, reflected as interplay between surface erosion, fuel / impurity implantation and retention, and evolution of target composition, as well as sensitivity of these processes to plasma exposure conditions is also analyzed in detail. This work is supported by the US DOE under contract DE-AC05-00OR22725.

  17. Thermal expansion model for multiphase electronic packaging materials

    International Nuclear Information System (INIS)

    Allred, B.E.; Warren, W.E.

    1991-01-01

    Control of thermal expansion is often necessary in the design and selection of electronic packages. In some instances, it is desirable to have a coefficient of thermal expansion intermediate between values readily attainable with single or two phase materials. The addition of a third phase in the form of fillers, whiskers, or fibers can be used to attain intermediate expansions. To help design the thermal expansion of multiphase materials for specific applications, a closed form model has been developed that accurately predicts the effective elastic properties of isotropic filled materials and transversely isotropic lamina. Properties of filled matrix materials are used as inputs to the lamina model to obtain the composite elastic properties as a function of the volume fraction of each phase. Hybrid composites with two or more fiber types are easily handled with this model. This paper reports that results for glass, quartz, and Kevlar fibers with beta-eucryptite filled polymer matrices show good agreement with experimental results for X, Y, and Z thermal expansion coefficients

  18. Modeling multiscale evolution of numerous voids in shocked brittle material.

    Science.gov (United States)

    Yu, Yin; Wang, Wenqiang; He, Hongliang; Lu, Tiecheng

    2014-04-01

    The influence of the evolution of numerous voids on macroscopic properties of materials is a multiscale problem that challenges computational research. A shock-wave compression model for brittle material, which can obtain both microscopic evolution and macroscopic shock properties, was developed using discrete element methods (lattice model). Using a model interaction-parameter-mapping procedure, qualitative features, as well as trends in the calculated shock-wave profiles, are shown to agree with experimental results. The shock wave splits into an elastic wave and a deformation wave in porous brittle materials, indicating significant shock plasticity. Void collapses in the deformation wave were the natural reason for volume shrinkage and deformation. However, media slippage and rotation deformations indicated by complex vortex patterns composed of relative velocity vectors were also confirmed as an important source of shock plasticity. With increasing pressure, the contribution from slippage deformation to the final plastic strain increased. Porosity was found to determine the amplitude of the elastic wave; porosity and shock stress together determine propagation speed of the deformation wave, as well as stress and strain on the final equilibrium state. Thus, shock behaviors of porous brittle material can be systematically designed for specific applications.

  19. Modeling Materials: Design for Planetary Entry, Electric Aircraft, and Beyond

    Science.gov (United States)

    Thompson, Alexander; Lawson, John W.

    2014-01-01

    NASA missions push the limits of what is possible. The development of high-performance materials must keep pace with the agency's demanding, cutting-edge applications. Researchers at NASA's Ames Research Center are performing multiscale computational modeling to accelerate development times and further the design of next-generation aerospace materials. Multiscale modeling combines several computationally intensive techniques ranging from the atomic level to the macroscale, passing output from one level as input to the next level. These methods are applicable to a wide variety of materials systems. For example: (a) Ultra-high-temperature ceramics for hypersonic aircraft-we utilized the full range of multiscale modeling to characterize thermal protection materials for faster, safer air- and spacecraft, (b) Planetary entry heat shields for space vehicles-we computed thermal and mechanical properties of ablative composites by combining several methods, from atomistic simulations to macroscale computations, (c) Advanced batteries for electric aircraft-we performed large-scale molecular dynamics simulations of advanced electrolytes for ultra-high-energy capacity batteries to enable long-distance electric aircraft service; and (d) Shape-memory alloys for high-efficiency aircraft-we used high-fidelity electronic structure calculations to determine phase diagrams in shape-memory transformations. Advances in high-performance computing have been critical to the development of multiscale materials modeling. We used nearly one million processor hours on NASA's Pleiades supercomputer to characterize electrolytes with a fidelity that would be otherwise impossible. For this and other projects, Pleiades enables us to push the physics and accuracy of our calculations to new levels.

  20. Compendium of Material Composition Data for Radiation Transport Modeling

    Energy Technology Data Exchange (ETDEWEB)

    McConn, Ronald J.; Gesh, Christopher J.; Pagh, Richard T.; Rucker, Robert A.; Williams III, Robert

    2011-03-04

    Introduction Meaningful simulations of radiation transport applications require realistic definitions of material composition and densities. When seeking that information for applications in fields such as homeland security, radiation shielding and protection, and criticality safety, researchers usually encounter a variety of materials for which elemental compositions are not readily available or densities are not defined. Publication of the Compendium of Material Composition Data for Radiation Transport Modeling, Revision 0, in 2006 was the first step toward mitigating this problem. Revision 0 of this document listed 121 materials, selected mostly from the combined personal libraries of staff at the Pacific Northwest National Laboratory (PNNL), and thus had a scope that was recognized at the time to be limited. Nevertheless, its creation did provide a well-referenced source of some unique or hard-to-define material data in a format that could be used directly in radiation transport calculations being performed at PNNL. Moreover, having a single common set of material definitions also helped to standardize at least one aspect of the various modeling efforts across the laboratory by providing separate researchers the ability to compare different model results using a common basis of materials. The authors of the 2006 compendium understood that, depending on its use and feedback, the compendium would need to be revised to correct errors or inconsistencies in the data for the original 121 materials, as well as to increase (per users suggestions) the number of materials listed. This 2010 revision of the compendium has accomplished both of those objectives. The most obvious change is the increased number of materials from 121 to 372. The not-so-obvious change is the mechanism used to produce the data listed here. The data listed in the 2006 document were compiled, evaluated, entered, and error-checked by a group of individuals essentially by hand, providing no library

  1. Modeling of ferrite-based materials for shielding enclosures

    International Nuclear Information System (INIS)

    Koledintseva, Marina; Drewniak, James; Zhang Yaojiang; Lenn, James; Thoms, Melanie

    2009-01-01

    An analytical model for a magneto-dielectric composite material is presented based on the Maxwell Garnett rule for a dielectric mixture, and on Bruggeman's effective medium theory for permeability of a ferrite powder embedded in a dielectric. In order to simultaneously treat frequency-dispersive permittivity and permeability of a composite in a full-wave FDTD code, a new algorithm based on discretized auxiliary differential equations has been implemented. In this paper, numerical examples of modeling structures containing different magneto-dielectric mixtures are presented

  2. Multiscale Modeling of Hydrogen Embrittlement for Multiphase Material

    KAUST Repository

    Al-Jabr, Khalid A.

    2014-05-01

    Hydrogen Embrittlement (HE) is a very common failure mechanism induced crack propagation in materials that are utilized in oil and gas industry structural components and equipment. Considering the prediction of HE behavior, which is suggested in this study, is one technique of monitoring HE of equipment in service. Therefore, multi-scale constitutive models that account for the failure in polycrystalline Body Centered Cubic (BCC) materials due to hydrogen embrittlement are developed. The polycrystalline material is modeled as two-phase materials consisting of a grain interior (GI) phase and a grain boundary (GB) phase. In the first part of this work, the hydrogen concentration in the GI (Cgi) and the GB (Cgb) as well as the hydrogen distribution in each phase, were calculated and modeled by using kinetic regime-A and C, respectively. In the second part of this work, this dissertation captures the adverse effects of hydrogen concentration, in each phase, in micro/meso and macro-scale models on the mechanical behavior of steel; e.g. tensile strength and critical porosity. The models predict the damage mechanisms and the reduction in the ultimate strength profile of a notched, round bar under tension for different hydrogen concentrations as observed in the experimental data available in the literature for steels. Moreover, the study outcomes are supported by the experimental data of the Fractography and HE indices investigation. In addition to the aforementioned continuum model, this work employs the Molecular Dynamics (MD) simulations to provide information regarding bond formulation and breaking. The MD analyses are conducted for both single grain and polycrystalline BCC iron with different amounts of hydrogen and different size of nano-voids. The simulations show that the hydrogen atoms could form the transmission in materials configuration from BCC to FCC (Face Centered Cubic) and HCP (Hexagonal Close Packed). They also suggest the preferred sites of hydrogen for

  3. A New Material Constitutive Model for Predicting Cladding Failure

    Energy Technology Data Exchange (ETDEWEB)

    Rashid, Joe; Dunham, Robert [ANATECH Corp., San Diego, CA (United States); Rashid, Mark [University of California Davis, Davis, CA (United States); Machiels, Albert [EPRI, Palo Alto, CA (United States)

    2009-06-15

    An important issue in fuel performance and safety evaluations is the characterization of the effects of hydrides on cladding mechanical response and failure behavior. The hydride structure formed during power operation transforms the cladding into a complex multi-material composite, with through-thickness concentration profile that causes cladding ductility to vary by more than an order of magnitude between ID and OD. However, current practice of mechanical property testing treats the cladding as a homogeneous material characterized by a single stress-strain curve, regardless of its hydride morphology. Consequently, as irradiation conditions and hydrides evolution change, new material property testing is required, which results in a state of continuous need for valid material property data. A recently developed constitutive model, treats the cladding as a multi-material composite in which the metal and the hydride platelets are treated as separate material phases with their own elastic-plastic and fracture properties and interacting at their interfaces with appropriate constraint conditions between them to ensure strain and stress compatibility. An essential feature of the model is a multi-phase damage formulation that models the complex interaction between the hydride phases and the metal matrix and the coupled effect of radial and circumferential hydrides on cladding stress-strain response. This gives the model the capability of directly predicting cladding failure progression during the loading event and, as such, provides a unique tool for constructing failure criteria analytically where none could be developed by conventional material testing. Implementation of the model in a fuel behavior code provides the capability to predict in-reactor operational failures due to PCI or missing pellet surfaces (MPS) without having to rely on failure criteria. Even, a stronger motivation for use of the model is in the transportation accidents analysis of spent fuel

  4. Mathematical aspects of ground state tunneling models in luminescence materials

    International Nuclear Information System (INIS)

    Pagonis, Vasilis; Kitis, George

    2015-01-01

    Luminescence signals from a variety of natural materials have been known to decrease with storage time at room temperature due to quantum tunneling, a phenomenon known as anomalous fading. This paper is a study of several mathematical aspects of two previously published luminescence models which describe tunneling phenomena from the ground state of a donor–acceptor system. It is shown that both models are described by the same type of integral equation, and two new analytical equations are presented. The first new analytical equation describes the effect of anomalous fading on the dose response curves (DRCs) of naturally irradiated samples. The DRCs in the model were previously expressed in the form of integral equations requiring numerical integration, while the new analytical equation can be used immediately as a tool for analyzing experimental data. The second analytical equation presented in this paper describes the anomalous fading rate (g-Value per decade) as a function of the charge density in the model. This new analytical expression for the g-Value is tested using experimental anomalous fading data for several apatite crystals which exhibit high rate of anomalous fading. The two new analytical results can be useful tools for analyzing anomalous fading data from luminescence materials. In addition to the two new analytical equations, an explanation is provided for the numerical value of a constant previously introduced in the models. - Highlights: • Comparative study of two luminescence models for feldspars. • Two new analytical equations for dose response curves and anomalous fading rate. • The numerical value z=1.8 of previously introduced constant in models explained.

  5. Micromechanical modelling of quasi-brittle materials behavior

    International Nuclear Information System (INIS)

    Li, V.C.

    1992-01-01

    This special issues on Micromechanical modelling of quasi-brittle materials behavior represents an outgrowth of presentations given at a symposium of the same title held at the 1991 ASME Applied Mechanics and Biomechanics Summer Conference at the Ohio State University. The symposium was organized to promote communication between researchers in three materials groups: rock, cementitious materials, ceramics and related composites. The enthusiastic response of both speakers and attendants at the ASME symposium convinced the organizer that it would be useful to put together a coherent volume which can reach a larger audience. It was decided that the papers individually and as a volume ought to provide a broader view, so that as much as possible, the work contained in each paper would be accessible to readers working in any of the three materials groups. Applied Mechanics Reviews presents an appropriate platform for achieving these objectives

  6. Lifelong modelling of properties for materials with technological memory

    Science.gov (United States)

    Falaleev, AP; Meshkov, VV; Vetrogon, AA; Ogrizkov, SV; Shymchenko, AV

    2016-10-01

    An investigation of real automobile parts produced from dual phase steel during standard periods of life cycle is presented, which considers such processes as stamping, exploitation, automobile accident, and further repair. The development of the phenomenological model of the mechanical properties of such parts was based on the two surface plastic theory of Chaboche. As a consequence of the composite structure of dual phase steel, it was shown that local mechanical properties of parts produced from this material change significantly their during their life cycle, depending on accumulated plastic deformations and thermal treatments. Such mechanical property changes have a considerable impact on the accuracy of the computer modelling of automobile behaviour. The most significant errors of modelling were obtained at the critical operating conditions, such as crashes and accidents. The model developed takes into account the kinematics (Bauschinger effect), isotropic hardening, non-linear elastic steel behaviour and changes caused by the thermal treatment. Using finite element analysis, the model allows the evaluation of the passive safety of a repaired car body, and enables increased restoration accuracy following an accident. The model was confirmed experimentally for parts produced from dual phase steel DP780.

  7. Design-based modeling of magnetically actuated soft diaphragm materials

    Science.gov (United States)

    Jayaneththi, V. R.; Aw, K. C.; McDaid, A. J.

    2018-04-01

    Magnetic polymer composites (MPC) have shown promise for emerging biomedical applications such as lab-on-a-chip and implantable drug delivery. These soft material actuators are capable of fast response, large deformation and wireless actuation. Existing MPC modeling approaches are computationally expensive and unsuitable for rapid design prototyping and real-time control applications. This paper proposes a macro-scale 1-DOF model capable of predicting force and displacement of an MPC diaphragm actuator. Model validation confirmed both blocked force and displacement can be accurately predicted in a variety of working conditions i.e. different magnetic field strengths, static/dynamic fields, and gap distances. The contribution of this work includes a comprehensive experimental investigation of a macro-scale diaphragm actuator; the derivation and validation of a new phenomenological model to describe MPC actuation; and insights into the proposed model’s design-based functionality i.e. scalability and generalizability in terms of magnetic filler concentration and diaphragm diameter. Due to the lumped element modeling approach, the proposed model can also be adapted to alternative actuator configurations, and thus presents a useful tool for design, control and simulation of novel MPC applications.

  8. A 3D Orthotropic Elastic Continuum Damage Material Model

    Energy Technology Data Exchange (ETDEWEB)

    English, Shawn Allen [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Brown, Arthur A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2013-08-01

    A three dimensional orthotropic elastic constitutive model with continuum damage is implemented for polymer matrix composite lamina. Damage evolves based on a quadratic homogeneous function of thermodynamic forces in the orthotropic planes. A small strain formulation is used to assess damage. In order to account for large deformations, a Kirchhoff material formulation is implemented and coded for numerical simulation in Sandia’s Sierra Finite Element code suite. The theoretical formulation is described in detail. An example of material parameter determination is given and an example is presented.

  9. Modeling high temperature materials behavior for structural analysis

    CERN Document Server

    Naumenko, Konstantin

    2016-01-01

    This monograph presents approaches to characterize inelastic behavior of materials and structures at high temperature. Starting from experimental observations, it discusses basic features of inelastic phenomena including creep, plasticity, relaxation, low cycle and thermal fatigue. The authors formulate constitutive equations to describe the inelastic response for the given states of stress and microstructure. They introduce evolution equations to capture hardening, recovery, softening, ageing and damage processes. Principles of continuum mechanics and thermodynamics are presented to provide a framework for the modeling materials behavior with the aim of structural analysis of high-temperature engineering components.

  10. Molecular modeling of polycarbonate materials: Glass transition and mechanical properties

    Science.gov (United States)

    Palczynski, Karol; Wilke, Andreas; Paeschke, Manfred; Dzubiella, Joachim

    2017-09-01

    Linking the experimentally accessible macroscopic properties of thermoplastic polymers to their microscopic static and dynamic properties is a key requirement for targeted material design. Classical molecular dynamics simulations enable us to study the structural and dynamic behavior of molecules on microscopic scales, and statistical physics provides a framework for relating these properties to the macroscopic properties. We take a first step toward creating an automated workflow for the theoretical prediction of thermoplastic material properties by developing an expeditious method for parameterizing a simple yet surprisingly powerful coarse-grained bisphenol-A polycarbonate model which goes beyond previous coarse-grained models and successfully reproduces the thermal expansion behavior, the glass transition temperature as a function of the molecular weight, and several elastic properties.

  11. 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)

  12. Modeling of InGaSb thermophotovoltaic cells and materials

    Energy Technology Data Exchange (ETDEWEB)

    Zierak, M.; Borrego, J.M.; Bhat, I.; Gutmann, R.J. [Rensselaer Polytechnic Inst., Troy, NY (United States); Charache, G. [Lockheed Martin, Inc., Schenectady, NY (United States)

    1997-05-01

    A closed form computer program has been developed for the simulation and optimization of In{sub x}Ga{sub 1{minus}x}Sb thermophotovoltaic cells operating at room temperature. The program includes material parameter models of the energy bandgap, optical absorption constant, electron and hole mobility, intrinsic carrier concentration and index of refraction for any composition of GaInSb alloys.

  13. Modelling adversary actions against a nuclear material accounting system

    International Nuclear Information System (INIS)

    Lim, J.J.; Huebel, J.G.

    1979-01-01

    A typical nuclear material accounting system employing double-entry bookkeeping is described. A logic diagram is used to model the interactions of the accounting system and the adversary when he attempts to thwart it. Boolean equations are derived from the logic diagram; solution of these equations yields the accounts and records through which the adversary may disguise a SSNM theft and the collusion requirements needed to accomplish this feat. Some technical highlights of the logic diagram are also discussed

  14. Microstructural Modeling of Brittle Materials for Enhanced Performance and Reliability.

    Energy Technology Data Exchange (ETDEWEB)

    Teague, Melissa Christine [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Teague, Melissa Christine [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rodgers, Theron [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rodgers, Theron [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grutzik, Scott Joseph [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grutzik, Scott Joseph [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Meserole, Stephen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Meserole, Stephen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-08-01

    Brittle failure is often influenced by difficult to measure and variable microstructure-scale stresses. Recent advances in photoluminescence spectroscopy (PLS), including improved confocal laser measurement and rapid spectroscopic data collection have established the potential to map stresses with microscale spatial resolution (%3C2 microns). Advanced PLS was successfully used to investigate both residual and externally applied stresses in polycrystalline alumina at the microstructure scale. The measured average stresses matched those estimated from beam theory to within one standard deviation, validating the technique. Modeling the residual stresses within the microstructure produced general agreement in comparison with the experimentally measured results. Microstructure scale modeling is primed to take advantage of advanced PLS to enable its refinement and validation, eventually enabling microstructure modeling to become a predictive tool for brittle materials.

  15. Model, Materialism, and Immanent Utopia in Relational Aesthetics

    DEFF Research Database (Denmark)

    Degn Johansson, Troels

    ), is crucial for the understanding of contemporary, socially and politically oriented fine art of the mid-1990 and onwards and its challenge of established aesthetic conceptions within art as well as theory. The concept of model is a reoccurring figure in RA and connects to a widespread "lab" (laboratory......  This paper seeks to contribute to the development of socio-aesthetics by analysing the notion of model established in the discourse of relational art--that is of course with special reference to French art critic Nicolas Bourriad's theoretical writings. His seminal book, Relational Aesthetics (RA......) metaphor where social reality is staged and facilitated in order to document and present its development. At the same time however, the notion of model is difficult to dissociate from Bourriaud's materialism which draws on such different figures as the late Althusser, Lucretius, and Deleuze and which...

  16. Density Functional Theory and Materials Modeling at Atomistic Length Scales

    Directory of Open Access Journals (Sweden)

    Swapan K. Ghosh

    2002-04-01

    Full Text Available Abstract: We discuss the basic concepts of density functional theory (DFT as applied to materials modeling in the microscopic, mesoscopic and macroscopic length scales. The picture that emerges is that of a single unified framework for the study of both quantum and classical systems. While for quantum DFT, the central equation is a one-particle Schrodinger-like Kohn-Sham equation, the classical DFT consists of Boltzmann type distributions, both corresponding to a system of noninteracting particles in the field of a density-dependent effective potential, the exact functional form of which is unknown. One therefore approximates the exchange-correlation potential for quantum systems and the excess free energy density functional or the direct correlation functions for classical systems. Illustrative applications of quantum DFT to microscopic modeling of molecular interaction and that of classical DFT to a mesoscopic modeling of soft condensed matter systems are highlighted.

  17. Energy materials. Advances in characterization, modelling and application

    International Nuclear Information System (INIS)

    Andersen, N.H.; Eldrup, M.; Hansen, N.; Juul Jensen, D.; Nielsen, E.M.; Nielsen, S.F.; Soerensen, B.F.; Pedersen, A.S.; Vegge, T.; West, S.S.

    2008-01-01

    Energy-related topics in the modern world and energy research programmes cover the range from basic research to applications and structural length scales from micro to macro. Materials research and development is a central part of the energy area as break-throughs in many technologies depend on a successful development and validation of new or advanced materials. The Symposium is organized by the Materials Research Department at Risoe DTU - National Laboratory for Sustainable Energy. The Department concentrates on energy problems combining basic and applied materials research with special focus on the key topics: wind, fusion, superconductors and hydrogen. The symposium is based on these key topics and focus on characterization of materials for energy applying neutron, X-ray and electron diffraction. Of special interest is research carried out at large facilities such as reactors and synchrotrons, supplemented by other experimental techniques and modelling on different length scales that underpins experiments. The Proceedings contain 15 key note presentations and 30 contributed presentations, covering the abovementioned key topics relevant for the energy materials. The contributions clearly show the importance of materials research when developing sustainable energy technologies and also that many challenges remain to be approached. (BA)

  18. Formability prediction for AHSS materials using damage models

    Science.gov (United States)

    Amaral, R.; Santos, Abel D.; José, César de Sá; Miranda, Sara

    2017-05-01

    Advanced high strength steels (AHSS) are seeing an increased use, mostly due to lightweight design in automobile industry and strict regulations on safety and greenhouse gases emissions. However, the use of these materials, characterized by a high strength to weight ratio, stiffness and high work hardening at early stages of plastic deformation, have imposed many challenges in sheet metal industry, mainly their low formability and different behaviour, when compared to traditional steels, which may represent a defying task, both to obtain a successful component and also when using numerical simulation to predict material behaviour and its fracture limits. Although numerical prediction of critical strains in sheet metal forming processes is still very often based on the classic forming limit diagrams, alternative approaches can use damage models, which are based on stress states to predict failure during the forming process and they can be classified as empirical, physics based and phenomenological models. In the present paper a comparative analysis of different ductile damage models is carried out, in order numerically evaluate two isotropic coupled damage models proposed by Johnson-Cook and Gurson-Tvergaard-Needleman (GTN), each of them corresponding to the first two previous group classification. Finite element analysis is used considering these damage mechanics approaches and the obtained results are compared with experimental Nakajima tests, thus being possible to evaluate and validate the ability to predict damage and formability limits for previous defined approaches.

  19. Formability prediction for AHSS materials using damage models

    International Nuclear Information System (INIS)

    Amaral, R.; Miranda, Sara; Santos, Abel D.; José, César de Sá

    2017-01-01

    Advanced high strength steels (AHSS) are seeing an increased use, mostly due to lightweight design in automobile industry and strict regulations on safety and greenhouse gases emissions. However, the use of these materials, characterized by a high strength to weight ratio, stiffness and high work hardening at early stages of plastic deformation, have imposed many challenges in sheet metal industry, mainly their low formability and different behaviour, when compared to traditional steels, which may represent a defying task, both to obtain a successful component and also when using numerical simulation to predict material behaviour and its fracture limits. Although numerical prediction of critical strains in sheet metal forming processes is still very often based on the classic forming limit diagrams, alternative approaches can use damage models, which are based on stress states to predict failure during the forming process and they can be classified as empirical, physics based and phenomenological models. In the present paper a comparative analysis of different ductile damage models is carried out, in order numerically evaluate two isotropic coupled damage models proposed by Johnson-Cook and Gurson-Tvergaard-Needleman (GTN), each of them corresponding to the first two previous group classification. Finite element analysis is used considering these damage mechanics approaches and the obtained results are compared with experimental Nakajima tests, thus being possible to evaluate and validate the ability to predict damage and formability limits for previous defined approaches. (paper)

  20. High temperature viscoplastic ratchetting: Material response or modeling artifact

    International Nuclear Information System (INIS)

    Freed, A.D.

    1991-01-01

    Ratchetting, the net accumulation of strain over a loading cycle, is a deformation mechanism that leads to distortions in shape, often resulting in a loss of function that culminates in structural failure. Viscoplastic ratchetting is prevalent at high homologous temperatures where viscous characteristics are prominent in material response. This deformation mechanism is accentuated by the presence of a mean stress; a consequence of interaction between thermal gradients and structural constraints. Favorable conditions for viscoplastic ratchetting exist in the Stirling engines being developed by the National Aeronautics and Space Administration (NASA) and the Department of Energy (DOE) for space and terrestrial power applications. To assess the potential for ratchetting and its effect on durability of high temperature structures requires a viscoplastic analysis of the design. But ratchetting is a very difficult phenomenon to accurately model. One must therefore ask whether the results from such an analysis are indicative of actual material behavior, or if they are artifacts of the theory being used in the analysis. There are several subtle aspects in a viscoplastic model that must be dealt with in order to accurately model ratchetting behavior, and therefore obtain meaningful predictions from it. In this paper, some of these subtlties and the necessary ratchet experiments needed to obtain an accurate viscoplastic representation of a material are discussed

  1. Modeling of heat transfer within porous multi-constituent materials

    International Nuclear Information System (INIS)

    Niezgoda, M.

    2012-01-01

    The CEA works a great deal with porous materials - carbon composites, ceramics - and aims to optimize their properties for specific uses. These materials can be composed of several constituents and generally has a complex structure with pore size of several tens of micrometers. It is used in large-scale systems that are bigger than its own characteristic scale in which they are considered as equivalent to a homogeneous medium for the simulation of its behavior in its using environment without taking into account its local morphology. We are especially interested in the effective thermal diffusivity of heterogeneous materials that we estimate as a function of temperature with the help of an inverse method by considering they are homogeneous. The identification of the diffusivity of porous and/or semi-transparent materials is made difficult because of the strong conducto-radiative coupling can quickly occur when the temperature increases. We have thus modeled the coupled conductive and radiative heat transfer as a function of the temperature within porous multi-constituent materials from their morphology discretized into a set of homogeneous voxels. We have developed a methodology that consists in starting from a 3D-microstructure of the studied materials obtained by tomography. The microstructures constitute the numerical support to this modeling that renders it possible, on the one hand, to simulate any kind of numerical thermal experiments, especially the flash method whose the results render it possible to estimate the thermal diffusivity, and on the other hand, to reproduce the thermal behavior of our materials in their using conditions. (author) [fr

  2. Multiscale modelling and experimentation of hydrogen embrittlement in aerospace materials

    Science.gov (United States)

    Jothi, Sathiskumar

    Pulse plated nickel and nickel based superalloys have been used extensively in the Ariane 5 space launcher engines. Large structural Ariane 5 space launcher engine components such as combustion chambers with complex microstructures have usually been manufactured using electrodeposited nickel with advanced pulse plating techniques with smaller parts made of nickel based superalloys joined or welded to the structure to fabricate Ariane 5 space launcher engines. One of the major challenges in manufacturing these space launcher components using newly developed materials is a fundamental understanding of how different materials and microstructures react with hydrogen during welding which can lead to hydrogen induced cracking. The main objective of this research has been to examine and interpret the effects of microstructure on hydrogen diffusion and hydrogen embrittlement in (i) nickel based superalloy 718, (ii) established and (iii) newly developed grades of pulse plated nickel used in the Ariane 5 space launcher engine combustion chamber. Also, the effect of microstructures on hydrogen induced hot and cold cracking and weldability of three different grades of pulse plated nickel were investigated. Multiscale modelling and experimental methods have been used throughout. The effect of microstructure on hydrogen embrittlement was explored using an original multiscale numerical model (exploiting synthetic and real microstructures) and a wide range of material characterization techniques including scanning electron microscopy, 2D and 3D electron back scattering diffraction, in-situ and ex-situ hydrogen charged slow strain rate tests, thermal spectroscopy analysis and the Varestraint weldability test. This research shows that combined multiscale modelling and experimentation is required for a fundamental understanding of microstructural effects in hydrogen embrittlement in these materials. Methods to control the susceptibility to hydrogen induced hot and cold cracking and

  3. Accurate modeling and evaluation of microstructures in complex materials

    Science.gov (United States)

    Tahmasebi, Pejman

    2018-02-01

    Accurate characterization of heterogeneous materials is of great importance for different fields of science and engineering. Such a goal can be achieved through imaging. Acquiring three- or two-dimensional images under different conditions is not, however, always plausible. On the other hand, accurate characterization of complex and multiphase materials requires various digital images (I) under different conditions. An ensemble method is presented that can take one single (or a set of) I(s) and stochastically produce several similar models of the given disordered material. The method is based on a successive calculating of a conditional probability by which the initial stochastic models are produced. Then, a graph formulation is utilized for removing unrealistic structures. A distance transform function for the Is with highly connected microstructure and long-range features is considered which results in a new I that is more informative. Reproduction of the I is also considered through a histogram matching approach in an iterative framework. Such an iterative algorithm avoids reproduction of unrealistic structures. Furthermore, a multiscale approach, based on pyramid representation of the large Is, is presented that can produce materials with millions of pixels in a matter of seconds. Finally, the nonstationary systems—those for which the distribution of data varies spatially—are studied using two different methods. The method is tested on several complex and large examples of microstructures. The produced results are all in excellent agreement with the utilized Is and the similarities are quantified using various correlation functions.

  4. Thin inclusion approach for modelling of heterogeneous conducting materials

    Science.gov (United States)

    Lavrov, Nikolay; Smirnova, Alevtina; Gorgun, Haluk; Sammes, Nigel

    Experimental data show that heterogeneous nanostructure of solid oxide and polymer electrolyte fuel cells could be approximated as an infinite set of fiber-like or penny-shaped inclusions in a continuous medium. Inclusions can be arranged in a cluster mode and regular or random order. In the newly proposed theoretical model of nanostructured material, the most attention is paid to the small aspect ratio of structural elements as well as to some model problems of electrostatics. The proposed integral equation for electric potential caused by the charge distributed over the single circular or elliptic cylindrical conductor of finite length, as a single unit of a nanostructured material, has been asymptotically simplified for the small aspect ratio and solved numerically. The result demonstrates that surface density changes slightly in the middle part of the thin domain and has boundary layers localized near the edges. It is anticipated, that contribution of boundary layer solution to the surface density is significant and cannot be governed by classic equation for smooth linear charge. The role of the cross-section shape is also investigated. Proposed approach is sufficiently simple, robust and allows extension to either regular or irregular system of various inclusions. This approach can be used for the development of the system of conducting inclusions, which are commonly present in nanostructured materials used for solid oxide and polymer electrolyte fuel cell (PEMFC) materials.

  5. Modeling of interface roughness in thermoelectric composite materials

    International Nuclear Information System (INIS)

    Gather, F; Heiliger, C; Klar, P J

    2011-01-01

    We use a network model to calculate the influence of the mesoscopic interface structure on the thermoelectric properties of superlattice structures consisting of alternating layers of materials A and B. The thermoelectric figure of merit of such a composite material depends on the layer thickness, if interface resistances are accounted for, and can be increased by proper interface design. In general, interface roughness reduces the figure of merit, again compared to the case of ideal interfaces. However, the strength of this reduction depends strongly on the type of interface roughness. Smooth atomic surface diffusion leading to alloying of materials A and B causes the largest reduction of the figure of merit. Consequently, in real structures, it is important not only to minimize interface roughness, but also to control the type of roughness. Although the microscopic effects of interfaces are only empirically accounted for, using a network model can yield useful information about the dependence of the macroscopic transport coefficients on the mesoscopic disorder in structured thermoelectric materials.

  6. The electrochemistry and modelling of hydrogen storage materials

    International Nuclear Information System (INIS)

    Kalisvaart, W.P.; Vermeulen, P.; Ledovskikh, A.V.; Danilov, D.; Notten, P.H.L.

    2007-01-01

    Mg-based alloys are promising hydrogen storage materials because of the high gravimetric energy density of MgH 2 (7.6 wt.%). A major disadvantage, however, is its very slow desorption kinetics. It has been argued that, in contrast to the well-known rutile-structured Mg hydride, hydrided Mg-transition metal alloys have a much more open crystal structure facilitating faster hydrogen transport. In this paper, the electrochemical aspects of new Mg-Sc and Mg-Ti materials will be reviewed. Storage capacities as high as 6.5 wt.% hydrogen have been reached with very favourable discharge kinetics. A theoretical description of hydrogen storage materials has also been developed by our group. A new lattice gas model is presented and successfully applied to simulate the thermodynamic properties of various hydride-forming materials. The simulation results are expressed by parameters corresponding to several energy contributions, for example mutual atomic hydrogen interaction energies. A good fit of the lattice gas model to the experimental data is found in all cases

  7. Fractal Model for Acoustic Absorbing of Porous Fibrous Metal Materials

    Directory of Open Access Journals (Sweden)

    Weihua Chen

    2016-01-01

    Full Text Available To investigate the changing rules between sound absorbing performance and geometrical parameters of porous fibrous metal materials (PFMMs, this paper presents a fractal acoustic model by incorporating the static flow resistivity based on Biot-Allard model. Static flow resistivity is essential for an accurate assessment of the acoustic performance of the PFMM. However, it is quite difficult to evaluate the static flow resistivity from the microstructure of the PFMM because of a large number of disordered pores. In order to overcome this difficulty, we firstly established a static flow resistivity formula for the PFMM based on fractal theory. Secondly, a fractal acoustic model was derived on the basis of the static flow resistivity formula. The sound absorption coefficients calculated by the presented acoustic model were validated by the values of Biot-Allard model and experimental data. Finally, the variation of the surface acoustic impedance, the complex wave number, and the sound absorption coefficient with the fractal dimensions were discussed. The research results can reveal the relationship between sound absorption and geometrical parameters and provide a basis for improving the sound absorption capability of the PFMMs.

  8. Materials modeling by design: applications to amorphous solids

    International Nuclear Information System (INIS)

    Biswas, Parthapratim; Tafen, D N; Inam, F; Cai Bin; Drabold, D A

    2009-01-01

    In this paper, we review a host of methods used to model amorphous materials. We particularly describe methods which impose constraints on the models to ensure that the final model meets a priori requirements (on structure, topology, chemical order, etc). In particular, we review work based on quench from the melt simulations, the 'decorate and relax' method, which is shown to be a reliable scheme for forming models of certain binary glasses. A 'building block' approach is also suggested and yields a pleading model for GeSe 1.5 . We also report on the nature of vulcanization in an Se network cross-linked by As, and indicate how introducing H into an a-Si network develops into a-Si:H. We also discuss explicitly constrained methods including reverse Monte Carlo (RMC) and a novel method called 'Experimentally Constrained Molecular Relaxation'. The latter merges the power of ab initio simulation with the ability to impose external information associated with RMC.

  9. A model for acoustic absorbent materials derived from coconut fiber

    Directory of Open Access Journals (Sweden)

    Ramis, J.

    2014-03-01

    Full Text Available In the present paper, a methodology is proposed for obtaining empirical equations describing the sound absorption characteristics of an absorbing material obtained from natural fibers, specifically from coconut. The method, which was previously applied to other materials, requires performing measurements of air-flow resistivity and of acoustic impedance for samples of the material under study. The equations that govern the acoustic behavior of the material are then derived by means of a least-squares fit of the acoustic impedance and of the propagation constant. These results can be useful since they allow the empirically obtained analytical equations to be easily incorporated in prediction and simulation models of acoustic systems for noise control that incorporate the studied materials.En este trabajo se describe el proceso seguido para obtener ecuaciones empíricas del comportamiento acústico de un material absorbente obtenido a partir de fibras naturales, concretamente el coco. El procedimiento, que ha sido ensayado con éxito en otros materiales, implica la realización de medidas de impedancia y resistencia al flujo de muestras del material bajo estudio. Las ecuaciones que gobiernan el comportamiento desde el punto de vista acústico del material se obtienen a partir del ajuste de ecuaciones de comportamiento de la impedancia acústica y la constante de propagación del material. Los resultados son útiles ya que, al disponer de ecuaciones analíticas obtenidas empíricamente, facilitan la incorporación de estos materiales en predicciones mediante métodos numéricos del comportamiento cuando son instalados formando parte de dispositivos para el control del ruido.

  10. Safeguards: Modelling of the Detection and Characterization of Nuclear Materials

    International Nuclear Information System (INIS)

    Enqvist, Andreas

    2010-01-01

    Nuclear safeguards is a collective term for the tools and methods needed to ensure nonproliferation and safety in connection to utilization of nuclear materials. It encompasses a variety of concepts from legislation to measurement equipment. The objective of this thesis is to present a number of research results related to nuclear materials control and accountability, especially the area of nondestructive assay. Physical aspects of nuclear materials are often the same as for materials encountered in everyday life. One special aspect though is that nuclear materials also emit radiation allowing them to be qualitatively and quantitatively measured without direct interaction with the material. For the successful assay of the material, the particle generation and detection needs to be well understood, and verified with measurements, simulations and models. Four topics of research are included in the thesis. First the generation and multiplication of neutrons and gamma rays in a fissile multiplying sample is treated. The formalism used enables investigation of the number of generated, absorbed and detected particles, offering understanding of the different processes involved. Secondly, the issue of relating the coincident detector signals, generated by both neutrons and gamma rays, to sample parameters is dealt with. Fission rate depends directly on the sample mass, while parameters such as neutron generation by alpha decay and neutron leakage multiplication are parameters that depend on the size, composition and geometry of the sample. Artificial neural networks are utilized to solve the inverse problem of finding sample characteristics from the measured rates of particle multiples. In the third part the interactions between neutrons and organic scintillation detectors are treated. The detector material consists of hydrogen and carbon, on which the neutrons scatter and transfer energy. The problem shares many characteristics with the area of neutron moderation found in

  11. Thermal analysis of charring materials based on pyrolysis interface model

    Directory of Open Access Journals (Sweden)

    Huang Hai-Ming

    2014-01-01

    Full Text Available Charring thermal protection systems have been used to protect hypersonic vehicles from high heat loads. The pyrolysis of charring materials is a complicated physical and chemical phenomenon. Based on the pyrolysis interface model, a simulating approach for charring ablation has been designed in order to obtain one dimensional transient thermal behavior of homogeneous charring materials in reentry capsules. As the numerical results indicate, the pyrolysis rate and the surface temperature under a given heat flux rise abruptly in the beginning, then reach a plateau, but the temperature at the bottom rises very slowly to prevent the structural materials from being heated seriously. Pyrolysis mechanism can play an important role in thermal protection systems subjected to serious aerodynamic heat.

  12. Morphological analysis and modelling of sintering and of sintered materials

    International Nuclear Information System (INIS)

    Jernot, Jean-Paul

    1982-01-01

    This research thesis addresses the study of solid phase sintering of metallic powders, and aims at describing as precisely as possible the different involved matter transport mechanisms, first by using a thermodynamic approach to sintering. Sintering diagrams are also used to determine prevailing mechanisms. The microstructure of sintered materials has been studied by using image quantitative analysis, thus by using a morphological approach to sintering. Morphological parameters allow, on the one hand, the evolution of powders during sintering to be followed, and, on the other hand, sintered products to be correctly characterised. Moreover, the author reports the study of the evolution of some physical properties of sintered materials with respect to their microstructure parameters. This leads to the development of a modelling of the behaviour of these materials [fr

  13. Elevated Temperature Testing and Modeling of Advanced Toughened Ceramic Materials

    Science.gov (United States)

    Keith, Theo G.

    2005-01-01

    The purpose of this report is to provide a final report for the period of 12/1/03 through 11/30/04 for NASA Cooperative Agreement NCC3-776, entitled "Elevated Temperature Testing and Modeling of Advanced Toughened Ceramic Materials." During this final period, major efforts were focused on both the determination of mechanical properties of advanced ceramic materials and the development of mechanical test methodologies under several different programs of the NASA-Glenn. The important research activities made during this period are: 1. Mechanical properties evaluation of two gas-turbine grade silicon nitrides. 2) Mechanical testing for fuel-cell seal materials. 3) Mechanical properties evaluation of thermal barrier coatings and CFCCs and 4) Foreign object damage (FOD) testing.

  14. Exascale Co-design for Modeling Materials in Extreme Environments

    Energy Technology Data Exchange (ETDEWEB)

    Germann, Timothy C. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-07-08

    Computational materials science has provided great insight into the response of materials under extreme conditions that are difficult to probe experimentally. For example, shock-induced plasticity and phase transformation processes in single-crystal and nanocrystalline metals have been widely studied via large-scale molecular dynamics simulations, and many of these predictions are beginning to be tested at advanced 4th generation light sources such as the Advanced Photon Source (APS) and Linac Coherent Light Source (LCLS). I will describe our simulation predictions and their recent verification at LCLS, outstanding challenges in modeling the response of materials to extreme mechanical and radiation environments, and our efforts to tackle these as part of the multi-institutional, multi-disciplinary Exascale Co-design Center for Materials in Extreme Environments (ExMatEx). ExMatEx has initiated an early and deep collaboration between domain (computational materials) scientists, applied mathematicians, computer scientists, and hardware architects, in order to establish the relationships between algorithms, software stacks, and architectures needed to enable exascale-ready materials science application codes within the next decade. We anticipate that we will be able to exploit hierarchical, heterogeneous architectures to achieve more realistic large-scale simulations with adaptive physics refinement, and are using tractable application scale-bridging proxy application testbeds to assess new approaches and requirements. Such current scale-bridging strategies accumulate (or recompute) a distributed response database from fine-scale calculations, in a top-down rather than bottom-up multiscale approach.

  15. 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

  16. Calibrating corneal material model parameters using only inflation data: an ill-posed problem

    CSIR Research Space (South Africa)

    Kok, S

    2014-08-01

    Full Text Available is to perform numerical modelling using the finite element method, for which a calibrated material model is required. These material models are typically calibrated using experimental inflation data by solving an inverse problem. In the inverse problem...

  17. Micro-Scale Experiments and Models for Composite Materials with Materials Research

    DEFF Research Database (Denmark)

    Zike, Sanita

    Numerical models are frequently implemented to study micro-mechanical processes in polymer/fibre composites. To ensure that these models are accurate, the length scale dependent properties of the fibre and polymer matrix have to be taken into account. Most often this is not the case, and material...... properties acquired at macro-scale are used for micro-mechanical models. This is because material properties at the macro-scale are much more available and the test procedures to obtain them are well defined. The aim of this research was to find methods to extract the micro-mechanical properties of the epoxy...... resin used in polymer/fibre composites for wind turbine blades combining experimental, numerical, and analytical approaches. Experimentally, in order to mimic the stress state created by a void in a bulk material, test samples with finite root radii were made and subjected to a double cantilever beam...

  18. Basic research of developed the evaluation model of buffer material

    International Nuclear Information System (INIS)

    Kawamura, K.; Ichikawa, Y.; Suzuki, S.; Shibata, M.; Sato, H.; Ueno, K.

    2003-07-01

    For the better understanding of mass transport property of the buffer material of the high-level radioactive waste disposal, the unified method of molecular dynamics simulations (MD) and homogenization analysis (HA) method and model were developed. Interaction of atoms and multi-body potential model which needed in MD calculation was improved. Na-smectite surface and water molecule system were calculated by MD, the structure of water molecule, viscosity of water nearby the Na-smectite surface and distribution of diffusion coefficient of which were estimated. According to the results of the MD calculation, first water layer adjacent to Na-smectite surface was structured, and about 1nm thick diffuse layer was observed in which viscosity of water in higher than ordinary water. Structure modeling for Na-smectite including edge was also discussed. The HA analysis needs the results of the micro-scale properties from MD calculation and the microstructure of the field, i.e. microstructure of buffer material. Microstructure of compacted Na-smectite were studied by Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and X-ray diffraction (XRD). On the basis of the simplified observation results, the equation was formulated that the external pore size was expressed as a function of the number of clay layers and dry density. Using MD simulation results and pore structure model, diffusion coefficient of water molecule in compacted Na-smectite were calculated by the unified MD/HA analysis method. For this analysis Multi-scale HA method which can handle for porous media consists of various scale particles was developed. Calculated diffusion coefficient of water was in agreement with the results of diffusion experiment of triturated water (HTO). Regarding solute diffusion through compacted bentonite, experimental results are accumulated and discussed. Modelling frameworks for diffusion and sorption of ion were also developed. (author)

  19. Thermomechanics of solid materials with application to the Gurson-Tvergaard material model

    Energy Technology Data Exchange (ETDEWEB)

    Santaoja, K. [VTT Manufacturing Technology, Espoo (Finland). Materials and Structural Integrity

    1997-12-31

    The elastic-plastic material model for porous material proposed by Gurson and Tvergaard is evaluated. First a general description is given of constitutive equations for solid materials by thermomechanics with internal variables. The role and definition of internal variables are briefly discussed and the following definition is given: The independent variables present (possibly hidden) in the basic laws for thermomechanics are called controllable variables. The other independent variables are called internal variables. An internal variable is shown always to be a state variable. This work shows that if the specific dissipation function is a homogeneous function of degree one in the fluxes, a description for a time-independent process is obtained. When damage to materials is evaluated, usually a scalar-valued or tensorial variable called damage is introduced in the set of internal variables. A problem arises when determining the relationship between physically observable weakening of the material and the value for damage. Here a more feasible approach is used. Instead of damage, the void volume fraction is inserted into the set of internal variables. This allows use of an analytical equation for description of the mechanical weakening of the material. An extension to the material model proposed by Gurson and modified by Tvergaard is derived. The derivation is based on results obtained by thermomechanics and damage mechanics. The main difference between the original Gurson-Tvergaard material model and the extended one lies in the definition of the internal variable `equivalent tensile flow stress in the matrix material` denoted by {sigma}{sup M}. Using classical plasticity theory, Tvergaard elegantly derived an evolution equation for {sigma}{sup M}. This is not necessary in the present model, since damage mechanics gives an analytical equation between the stress tensor {sigma} and {sigma}M. Investigation of the Clausius-Duhem inequality shows that in compression

  20. Thermomechanics of solid materials with application to the Gurson-Tvergaard material model

    International Nuclear Information System (INIS)

    Santaoja, K.

    1997-01-01

    The elastic-plastic material model for porous material proposed by Gurson and Tvergaard is evaluated. First a general description is given of constitutive equations for solid materials by thermomechanics with internal variables. The role and definition of internal variables are briefly discussed and the following definition is given: The independent variables present (possibly hidden) in the basic laws for thermomechanics are called controllable variables. The other independent variables are called internal variables. An internal variable is shown always to be a state variable. This work shows that if the specific dissipation function is a homogeneous function of degree one in the fluxes, a description for a time-independent process is obtained. When damage to materials is evaluated, usually a scalar-valued or tensorial variable called damage is introduced in the set of internal variables. A problem arises when determining the relationship between physically observable weakening of the material and the value for damage. Here a more feasible approach is used. Instead of damage, the void volume fraction is inserted into the set of internal variables. This allows use of an analytical equation for description of the mechanical weakening of the material. An extension to the material model proposed by Gurson and modified by Tvergaard is derived. The derivation is based on results obtained by thermomechanics and damage mechanics. The main difference between the original Gurson-Tvergaard material model and the extended one lies in the definition of the internal variable 'equivalent tensile flow stress in the matrix material' denoted by σ M . Using classical plasticity theory, Tvergaard elegantly derived an evolution equation for σ M . This is not necessary in the present model, since damage mechanics gives an analytical equation between the stress tensor σ and σM. Investigation of the Clausius-Duhem inequality shows that in compression, states occur which are not

  1. Determination of Intrinsic Material Flammability Properties from Material Tests assisted by Numerical Modelling

    OpenAIRE

    Steinhaus, Thomas

    2010-01-01

    Computational Fluid Dynamics (CFD) codes are being increasingly used in the field of fire safety engineering. They provide, amongst other things, velocity, species and heat flux distributions throughout the computational domain. The various sub-models associated with these have been developed sufficiently to reduce the errors below 10%-15%, and work continues on reducing these errors yet further. However, the uncertainties introduced by using material properties as an input for these models a...

  2. Modelling of ultrasonic nondestructive testing in anisotropic materials - Rectangular crack

    International Nuclear Information System (INIS)

    Bostroem, A.

    2001-12-01

    Nondestructive testing with ultrasound is a standard procedure in the nuclear power industry when searching for defects, in particular cracks. To develop and qualify testing procedures extensive experimental work on test blocks is usually required. This can take a lot of time and therefore be quite costly. A good mathematical model of the testing situation is therefore of great value as it can reduce the experimental work to a great extent. A good model can be very useful for parametric studies and as a pedagogical tool. A further use of a model is as a tool in the qualification of personnel. In anisotropic materials, e.g. austenitic welds, the propagation of ultrasound becomes much more complicated as compared to isotropic materials. Therefore, modelling is even more useful for anisotropic materials, and it in particular has a greater pedagogical value. The present project has been concerned with a further development of the anisotropic capabilities of the computer program UTDefect, which has so far only contained a strip-like crack as the single defect type for anisotropic materials. To be more specific, the scattering by a rectangular crack in an anisotropic component has been studied and the result is adapted to include transmitting and receiving ultrasonic probes. The component under study is assumed to be anisotropic with arbitrary anisotropy. On the other hand, it is assumed to be homogeneous, and this in particular excludes most welds, where it is seldom an adequate approximation to assume homogeneity. The anisotropy may be arbitrarily oriented and the same is true of the rectangular crack. The crack may also be located near a backside of the component. To solve the scattering problem for the crack an integral equation method is used. The probe model has been developed in an earlier project and to compute the signal response in the receiving probe an electromechanical reciprocity argument is employed. As a rectangle is a truly 3D scatterer the sizes of the

  3. Mesoscopic approach to modeling elastic-plastic polycrystalline material behaviour

    International Nuclear Information System (INIS)

    Kovac, M.; Cizelj, L.

    2001-01-01

    Extreme loadings during severe accident conditions might cause failure or rupture of the pressure boundary of a reactor coolant system. Reliable estimation of the extreme deformations can be crucial to determine the consequences of such an accident. One of important drawbacks of classical continuum mechanics is idealization of inhomogenous microstructure of materials. This paper discusses the mesoscopic approach to modeling the elastic-plastic behavior of a polycrystalline material. The main idea is to divide the continuum (e.g., polycrystalline aggregate) into a set of sub-continua (grains). The overall properties of the polycrystalline aggregate are therefore determined by the number of grains in the aggregate and properties of randomly shaped and oriented grains. The random grain structure is modeled with Voronoi tessellation and random orientations of crystal lattices are assumed. The elastic behavior of monocrystal grains is assumed to be anisotropic. Crystal plasticity is used to describe plastic response of monocrystal grains. Finite element method is used to obtain numerical solutions of strain and stress fields. The analysis is limited to two-dimensional models.(author)

  4. Modeling Lightning Impact Thermo-Mechanical Damage on Composite Materials

    Science.gov (United States)

    Muñoz, Raúl; Delgado, Sofía; González, Carlos; López-Romano, Bernardo; Wang, De-Yi; LLorca, Javier

    2014-02-01

    Carbon fiber-reinforced polymers, used in primary structures for aircraft due to an excellent strength-to-weight ratio when compared with conventional aluminium alloy counterparts, may nowadays be considered as mature structural materials. Their use has been extended in recent decades, with several aircraft manufacturers delivering fuselages entirely manufactured with carbon composites and using advanced processing technologies. However, one of the main drawbacks of using such composites entails their poor electrical conductivity when compared with aluminium alloy competitors that leads to lightning strikes being considered a significant threat during the service life of the aircraft. Traditionally, this problem was overcome with the use of a protective copper/bronze mesh that added additional weight and reduced the effectiveness of use of the material. Moreover, this traditional sizing method is based on vast experimental campaigns carried out by subjecting composite panels to simulated lightning strike events. While this method has proven its validity, and is necessary for certification of the structure, it may be optimized with the aid provided by physically based numerical models. This paper presents a model based on the finite element method that includes the sources of damage observed in a lightning strike, such as thermal damage caused by Joule overheating and electromagnetic/acoustic pressures induced by the arc around the attachment points. The results of the model are compared with lightning strike experiments carried out in a carbon woven composite.

  5. The Chemical Modeling of Electronic Materials and Interconnections

    Science.gov (United States)

    Kivilahti, J. K.

    2002-12-01

    Thermodynamic and kinetic modeling, together with careful experimental work, is of great help for developing new electronic materials such as lead-free solders, their compatible metallizations and diffusion-barrier layers, as well as joining and bonding processes for advanced electronics manufacturing. When combined, these modeling techniques lead to a rationalization of the trial-and-error methods employed in the electronics industry, limiting experimentation and, thus, reducing significantly time-to-market of new products. This modeling provides useful information on the stabilities of phases (microstructures), driving forces for chemical reactions, and growth rates of reaction products occurring in interconnections or thin-film structures during processing, testing, and in longterm use of electronic devices. This is especially important when manufacturing advanced lead-free electronics where solder joint volumes are decreasing while the number of dissimilar reactive materials is increasing markedly. Therefore, a new concept of local nominal composition was introduced and applied together with the relevant ternary and multicomponent phase diagrams to some solder/conductor systems.

  6. Predictive Modeling of Terrestrial Radiation Exposure from Geologic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Malchow, Russell L. [National Security Technologies, LLC; Haber, Daniel University of Nevada, Las Vegas; Burnley, Pamela [University of Nevada, Las Vegas; Marsac, Kara [University of Nevada, Las Vegas; Hausrath, Elisabeth [University of Nevada, Las Vegas; Adcock, Christopher [University of Nevada, Las Vegas

    2015-01-01

    Aerial gamma ray surveys are important for those working in nuclear security and industry for determining locations of both anthropogenic radiological sources and natural occurrences of radionuclides. During an aerial gamma ray survey, a low flying aircraft, such as a helicopter, flies in a linear pattern across the survey area while measuring the gamma emissions with a sodium iodide (NaI) detector. Currently, if a gamma ray survey is being flown in an area, the only way to correct for geologic sources of gamma rays is to have flown the area previously. This is prohibitively expensive and would require complete national coverage. This project’s goal is to model the geologic contribution to radiological backgrounds using published geochemical data, GIS software, remote sensing, calculations, and modeling software. K, U and Th are the three major gamma emitters in geologic material. U and Th are assumed to be in secular equilibrium with their daughter isotopes. If K, U, and Th abundance values are known for a given geologic unit the expected gamma ray exposure rate can be calculated using the Grasty equation or by modeling software. Monte Carlo N-Particle Transport software (MCNP), developed by Los Alamos National Laboratory, is modeling software designed to simulate particles and their interactions with matter. Using this software, models have been created that represent various lithologies. These simulations randomly generate gamma ray photons at energy levels expected from natural radiologic sources. The photons take a random path through the simulated geologic media and deposit their energy at the end of their track. A series of nested spheres have been created and filled with simulated atmosphere to record energy deposition. Energies deposited are binned in the same manner as the NaI detectors used during an aerial survey. These models are used in place of the simplistic Grasty equation as they take into account absorption properties of the lithology which the

  7. Flexible Multibody Systems Models Using Composite Materials Components

    International Nuclear Information System (INIS)

    Neto, Maria Augusta; Ambr'osio, Jorge A. C.; Leal, Rog'erio Pereira

    2004-01-01

    The use of a multibody methodology to describe the large motion of complex systems that experience structural deformations enables to represent the complete system motion, the relative kinematics between the components involved, the deformation of the structural members and the inertia coupling between the large rigid body motion and the system elastodynamics. In this work, the flexible multibody dynamics formulations of complex models are extended to include elastic components made of composite materials, which may be laminated and anisotropic. The deformation of any structural member must be elastic and linear, when described in a coordinate frame fixed to one or more material points of its domain, regardless of the complexity of its geometry. To achieve the proposed flexible multibody formulation, a finite element model for each flexible body is used. For the beam composite material elements, the sections properties are found using an asymptotic procedure that involves a two-dimensional finite element analysis of their cross-section. The equations of motion of the flexible multibody system are solved using an augmented Lagrangian formulation and the accelerations and velocities are integrated in time using a multi-step multi-order integration algorithm based on the Gear method

  8. Ceramic bar impact experiments for improved material model

    International Nuclear Information System (INIS)

    Brar, N.S.; Proud, W.G.; Rajendran, A.M.

    2004-01-01

    Ceramic bar-on-bar (uniaxial stress) experiments are performed to extend uniaxial strain deformation states imposed in flyer plate impact experiments. A number of investigators engaged in modeling the bar-on-bar experiments have varying degrees of success in capturing the observed fracture modes in bars and correctly simulating the measured in-situ axial stress or free surface velocity histories. The difficulties encountered are related to uncertainties in understanding the dominant failure mechanisms as a function of different stress states imposed in bar impacts. Free surface velocity of the far end of the target AD998 bar were measured using a VISAR in a series of bar-on-bar impact experiments at nominal impact speeds of 100 m/s, 220 m/s, and 300 m/s. Velocity history data at an impact of 100 m/s show the material response as elastic. At higher impact velocities of 200 m/s and 300 m/s the velocity history data suggest an inelastic material response. A high-speed (Imacon) camera was employed to examine the fracture and failure of impactor and target bars. High speed photographs provide comprehensive data on geometry of damage and failure patterns as a function of time to check the validity of a particular constitutive material model for AD998 alumina used in numerical simulations of fracture and failure of the bars on impact

  9. Evaluation of calculational and material models for concrete containment structures

    International Nuclear Information System (INIS)

    Dunham, R.S.; Rashid, Y.R.; Yuan, K.A.

    1984-01-01

    A computer code utilizing an appropriate finite element, material and constitutive model has been under development as a part of a comprehensive effort by the Electric Power Research Institute (EPRI) to develop and validate a realistic methodology for the ultimate load analysis of concrete containment structures. A preliminary evaluation of the reinforced and prestressed concrete modeling capabilities recently implemented in the ABAQUS-EPGEN code has been completed. This effort focuses on using a state-of-the-art calculational model to predict the behavior of large-scale reinforced concrete slabs tested under uniaxial and biaxial tension to simulate the wall of a typical concrete containment structure under internal pressure. This paper gives comparisons between calculations and experimental measurements for a uniaxially-loaded specimen. The calculated strains compare well with the measured strains in the reinforcing steel; however, the calculations gave diffused cracking patterns that do not agree with the discrete cracking observed in the experiments. Recommendations for improvement of the calculational models are given. (orig.)

  10. MATERIAL ELEMENT MODEL FOR EXTRINSIC SEMICONDUCTORS WITH DEFECTS OF DISLOCATION

    Directory of Open Access Journals (Sweden)

    Maria Paola Mazzeo

    2011-07-01

    Full Text Available In a previous paper we outlined a geometric model for the thermodynamic description of extrinsic semiconductors with defects of dislocation.Applying a geometrization technique, within the rationalextended irreversible thermodynamics with internal variables, the dynamical system for simple material elements of these media, the expressions of the entropy function and the entropy 1-form were obtained. In this contribution we deepen the study of this geometric model. We give a detailed description of the defective media under consideration and of the dislocation core tensor, we introduce the transformation induced by the process and, applying the closure conditions for the entropy 1-form, we derive the necessary conditions for the existence of the entropy function. These and other results are new in the paper.The derivation of the relevant entropy 1-form is the starting point to introduce an extended thermodynamical phase space.

  11. Heat transfer in Rockwool modelling and method of measurement. Modelling radiative heat transfer in fibrous materials

    Energy Technology Data Exchange (ETDEWEB)

    Dyrboel, Susanne

    1998-05-01

    Fibrous materials are some of the most widely used materials for thermal insulation. In this project the focus of interest has been on fibrous materials for building application. Interest in improving the thermal properties of insulation materials is increasing as legislation is being tightened to reduce the overall energy consumption. A knowledge of the individual heat transfer mechanisms - whereby heat is transferred within a particular material is an essential tool to improve continuously the thermal properties of the material. Heat is transferred in fibrous materials by four different transfer mechanisms: conduction through air, conduction through fibres, thermal radiation and convection. In a particular temperature range the conduction through air can be regarded as a constant, and conduction through fibres is an insignificant part of the total heat transfer. Radiation, however, constitutes 25-40% of the total heat transfer in light fibrous materials. In Denmark and a number of other countries convection in fibrous materials is considered as non-existent when calculating heat transmission as well as when designing building structures. Two heat transfer mechanisms have been the focus of the current project: radiation heat transfer and convection. The radiation analysis serves to develop a model that can be used in further work to gain a wider knowledge of the way in which the morphology of the fibrous material, i.e. fibre diameter distribution, fibre orientation distribution etc., influences the radiation heat transfer under different conditions. The convection investigation serves to examine whether considering convection as non-existent is a fair assumption to use in present and future building structures. The assumption applied in practically is that convection makes a notable difference only in very thick insulation, at external temperatures below -20 deg. C, and at very low densities. For lager thickness dimensions the resulting heat transfer through the

  12. Experimental identification and mathematical modeling of viscoplastic material behavior

    Science.gov (United States)

    Haupt, P.; Lion, A.

    1995-03-01

    Uniaxial torsion and biaxial torsion-tension experiments on thin-walled tubes were carried out to investigate the viscoplastic behavior of stainless steel XCrNi18.9. A series of monotonic tests under strain and stress control shows nonlinear rate dependence and suggests the existence of equilibrium states, which are asymptotically approached during relaxation and creep processes. Strain controlled cyclic experiments display various hardening and softening phenomena that depend on strain amplitude and mean strain. All experiments indicate that the equilibrium states within the material depend on the history of the input process, whereas the history-dependence of the relaxation and creep behavior appears less significant. From the experiments the design of a constitutive model of viscoplasticity is motivated: The basic assumption is a decomposition of the total stress into an equilibrium stress and a non-equilibrium overstress: At constant strain, the overstress relaxes to zero, where the relaxation time depends on the overstress in order to account for the nonlinear rate-dependence. The equilibrium stress is assumed to be a rate independent functional of the total strain history. Classical plasticity is utilized with a kinematic hardening rule of the Armstrong-Frederick type. In order to incorporate the amplitude-dependent hardening and softening behavior, a generalized arc length representation is applied [14]. The introduction of an additional kinematic hardening variable facilitates consideration of additional hardening effects resulting from the non-radiality of the input process. Apart from the common yield and loading criterion of classical plasticity, the proposed constitutive model does not contain any further distinction of different cases. The experimental data are sufficient to identify the material parameters of the constitutive model. The results of the identification procedure demonstrate the ability of the model to represent the observed phenomena

  13. Characterization and Modeling of Materials for Kr-Xe Separations

    Energy Technology Data Exchange (ETDEWEB)

    Forster, Paul [Univ. of Nevada, Las Vegas, NV (United States); Naduvalath, Balakrishnan [Univ. of Nevada, Las Vegas, NV (United States); Czerwinski, Ken [Univ. of Nevada, Las Vegas, NV (United States)

    2015-11-16

    We sought to identify practical adsorbents for the separation of Kr from Xe through pressure swing adsorption. We spent appreciable efforts on two categories of materials: metal-organic frameworks (MOFs) and zeolites. MOFs represent a new and exciting sorbent with numerous new framework topologies and surface chemistries. Zeolites are widely used and available commercial adsorbents. We have employed a combination of gas sorption analysis to analyze gas – surface interactions, computational modelling to both aid in interpreting experimental results and to predict practical adsorbents, and in-situ crystallographic studies to confirm specific experimental results.

  14. Characterization and Modeling of Materials for Kr-Xe Separations

    International Nuclear Information System (INIS)

    Forster, Paul; Naduvalath, Balakrishnan; Czerwinski, Ken

    2015-01-01

    We sought to identify practical adsorbents for the separation of Kr from Xe through pressure swing adsorption. We spent appreciable efforts on two categories of materials: metal-organic frameworks (MOFs) and zeolites. MOFs represent a new and exciting sorbent with numerous new framework topologies and surface chemistries. Zeolites are widely used and available commercial adsorbents. We have employed a combination of gas sorption analysis to analyze gas - surface interactions, computational modelling to both aid in interpreting experimental results and to predict practical adsorbents, and in-situ crystallographic studies to confirm specific experimental results.

  15. Modeling the behaviour of shape memory materials under large deformations

    Science.gov (United States)

    Rogovoy, A. A.; Stolbova, O. S.

    2017-06-01

    In this study, the models describing the behavior of shape memory alloys, ferromagnetic materials and polymers have been constructed, using a formalized approach to develop the constitutive equations for complex media under large deformations. The kinematic and constitutive equations, satisfying the principles of thermodynamics and objectivity, have been derived. The application of the Galerkin procedure to the systems of equations of solid mechanics allowed us to obtain the Lagrange variational equation and variational formulation of the magnetostatics problems. These relations have been tested in the context of the problems of finite deformation in shape memory alloys and ferromagnetic materials during forward and reverse martensitic transformations and in shape memory polymers during forward and reverse relaxation transitions from a highly elastic to a glassy state.

  16. A material optimization model to approximate energy bounds for cellular materials under multiload conditions

    DEFF Research Database (Denmark)

    Guedes, J.M.; Rodrigues, H.C.; Bendsøe, Martin P.

    2003-01-01

    This paper describes a computational model, based on inverse homogenization and topology design, for approximating energy bounds for two-phase composites under multiple load cases. The approach allows for the identification of possible single-scale cellular materials that give rise to the optimal...

  17. Modeling Natural Space Ionizing Radiation Effects on External Materials

    Science.gov (United States)

    Alstatt, Richard L.; Edwards, David L.; Parker, Nelson C. (Technical Monitor)

    2000-01-01

    Predicting the effective life of materials for space applications has become increasingly critical with the drive to reduce mission cost. Programs have considered many solutions to reduce launch costs including novel, low mass materials and thin thermal blankets to reduce spacecraft mass. Determining the long-term survivability of these materials before launch is critical for mission success. This presentation will describe an analysis performed on the outer layer of the passive thermal control blanket of the Hubble Space Telescope. This layer had degraded for unknown reasons during the mission, however ionizing radiation (IR) induced embrittlement was suspected. A methodology was developed which allowed direct comparison between the energy deposition of the natural environment and that of the laboratory generated environment. Commercial codes were used to predict the natural space IR environment model energy deposition in the material from both natural and laboratory IR sources, and design the most efficient test. Results were optimized for total and local energy deposition with an iterative spreadsheet. This method has been used successfully for several laboratory tests at the Marshall Space Flight Center. The study showed that the natural space IR environment, by itself, did not cause the premature degradation observed in the thermal blanket.

  18. Computational Modeling of Ultrafast Pulse Propagation in Nonlinear Optical Materials

    Science.gov (United States)

    Goorjian, Peter M.; Agrawal, Govind P.; Kwak, Dochan (Technical Monitor)

    1996-01-01

    There is an emerging technology of photonic (or optoelectronic) integrated circuits (PICs or OEICs). In PICs, optical and electronic components are grown together on the same chip. rib build such devices and subsystems, one needs to model the entire chip. Accurate computer modeling of electromagnetic wave propagation in semiconductors is necessary for the successful development of PICs. More specifically, these computer codes would enable the modeling of such devices, including their subsystems, such as semiconductor lasers and semiconductor amplifiers in which there is femtosecond pulse propagation. Here, the computer simulations are made by solving the full vector, nonlinear, Maxwell's equations, coupled with the semiconductor Bloch equations, without any approximations. The carrier is retained in the description of the optical pulse, (i.e. the envelope approximation is not made in the Maxwell's equations), and the rotating wave approximation is not made in the Bloch equations. These coupled equations are solved to simulate the propagation of femtosecond optical pulses in semiconductor materials. The simulations describe the dynamics of the optical pulses, as well as the interband and intraband.

  19. Materials modelling - a possible design tool for advanced nuclear applications

    International Nuclear Information System (INIS)

    Hoffelner, W.; Samaras, M.; Bako, B.; Iglesias, R.

    2008-01-01

    The design of components for power plants is usually based on codes, standards and design rules or code cases. However, it is very difficult to get the necessary experimental data to prove these lifetime assessment procedures for long-term applications in environments where complex damage interactions (temperature, stress, environment, irradiation) can occur. The rules used are often very simple and do not have a basis which take physical damage into consideration. The linear life fraction rule for creep and fatigue interaction can be taken as a prominent example. Materials modelling based on a multi-scale approach in principle provides a tool to convert microstructural findings into mechanical response and therefore has the capability of providing a set of tools for the improvement of design life assessments. The strength of current multi-scale modelling efforts is the insight they offer as regards experimental phenomena. To obtain an understanding of these phenomena it is import to focus on issues which are important at the various time and length scales of the modelling code. In this presentation the multi-scale path will be demonstrated with a few recent examples which focus on VHTR applications. (authors)

  20. The phase field technique for modeling multiphase materials

    Science.gov (United States)

    Singer-Loginova, I.; Singer, H. M.

    2008-10-01

    This paper reviews methods and applications of the phase field technique, one of the fastest growing areas in computational materials science. The phase field method is used as a theory and computational tool for predictions of the evolution of arbitrarily shaped morphologies and complex microstructures in materials. In this method, the interface between two phases (e.g. solid and liquid) is treated as a region of finite width having a gradual variation of different physical quantities, i.e. it is a diffuse interface model. An auxiliary variable, the phase field or order parameter \\phi(\\vec{x}) , is introduced, which distinguishes one phase from the other. Interfaces are identified by the variation of the phase field. We begin with presenting the physical background of the phase field method and give a detailed thermodynamical derivation of the phase field equations. We demonstrate how equilibrium and non-equilibrium physical phenomena at the phase interface are incorporated into the phase field methods. Then we address in detail dendritic and directional solidification of pure and multicomponent alloys, effects of natural convection and forced flow, grain growth, nucleation, solid-solid phase transformation and highlight other applications of the phase field methods. In particular, we review the novel phase field crystal model, which combines atomistic length scales with diffusive time scales. We also discuss aspects of quantitative phase field modeling such as thin interface asymptotic analysis and coupling to thermodynamic databases. The phase field methods result in a set of partial differential equations, whose solutions require time-consuming large-scale computations and often limit the applicability of the method. Subsequently, we review numerical approaches to solve the phase field equations and present a finite difference discretization of the anisotropic Laplacian operator.

  1. Advances in design and modeling of porous materials

    Science.gov (United States)

    Ayral, André; Calas-Etienne, Sylvie; Coasne, Benoit; Deratani, André; Evstratov, Alexis; Galarneau, Anne; Grande, Daniel; Hureau, Matthieu; Jobic, Hervé; Morlay, Catherine; Parmentier, Julien; Prelot, Bénédicte; Rossignol, Sylvie; Simon-Masseron, Angélique; Thibault-Starzyk, Frédéric

    2015-07-01

    This special issue of the European Physical Journal Special Topics is dedicated to selected papers from the symposium "High surface area porous and granular materials" organized in the frame of the conference "Matériaux 2014", held on November 24-28, 2014 in Montpellier, France. Porous materials and granular materials gather a wide variety of heterogeneous, isotropic or anisotropic media made of inorganic, organic or hybrid solid skeletons, with open or closed porosity, and pore sizes ranging from the centimeter scale to the sub-nanometer scale. Their technological and industrial applications cover numerous areas from building and civil engineering to microelectronics, including also metallurgy, chemistry, health, waste water and gas effluent treatment. Many emerging processes related to environmental protection and sustainable development also rely on this class of materials. Their functional properties are related to specific transfer mechanisms (matter, heat, radiation, electrical charge), to pore surface chemistry (exchange, adsorption, heterogeneous catalysis) and to retention inside confined volumes (storage, separation, exchange, controlled release). The development of innovative synthesis, shaping, characterization and modeling approaches enables the design of advanced materials with enhanced functional performance. The papers collected in this special issue offer a good overview of the state-of-the-art and science of these complex media. We would like to thank all the speakers and participants for their contribution to the success of the symposium. We also express our gratitude to the organization committee of "Matériaux 2014". We finally thank the reviewers and the staff of the European Physical Journal Special Topics who made the publication of this special issue possible.

  2. Model to estimate fractal dimension for ion-bombarded materials

    Energy Technology Data Exchange (ETDEWEB)

    Hu, A., E-mail: hu77@purdue.edu; Hassanein, A.

    2014-03-15

    Comprehensive fractal Monte Carlo model ITMC-F (Hu and Hassanein, 2012 [1]) is developed based on the Monte Carlo ion bombardment simulation code, i.e., Ion Transport in Materials and Compounds (ITMC) code (Hassanein, 1985 [2]). The ITMC-F studies the impact of surface roughness on the angular dependence of sputtering yield. Instead of assuming material surfaces to be flat or composed of exact self-similar fractals in simulation, we developed a new method to describe the surface shapes. Random fractal surfaces which are generated by midpoint displacement algorithm and support vector machine algorithm are combined with ITMC. With this new fractal version of ITMC-F, we successfully simulated the angular dependence of sputtering yield for various ion-target combinations, with the input surface roughness exponent directly depicted from experimental data (Hu and Hassanein, 2012 [1]). The ITMC-F code showed good agreement with the experimental data. In advanced, we compare other experimental sputtering yield with the results from ITMC-F to estimate the surface roughness exponent for ion-bombarded material in this research.

  3. Modeling gamma radiation dose in dwellings due to building materials.

    Science.gov (United States)

    de Jong, Peter; van Dijk, Willem

    2008-01-01

    A model is presented that calculates the absorbed dose rate in air of gamma radiation emitted by building materials in a rectangular body construction. The basis for these calculations is formed by a fixed set of specific absorbed dose rates (the dose rate per Bq kg(-1) 238U, 232Th, and 40K), as determined for a standard geometry with the dimensions 4 x 5 x 2.8 m3. Using the computer codes Marmer and MicroShield, correction factors are assessed that quantify the influence of several room and material related parameters on the specific absorbed dose rates. The investigated parameters are the position in the construction; the thickness, density, and dimensions of the construction parts; the contribution from the outer leave; the presence of doors and windows; the attenuation by internal partition walls; the contribution from building materials present in adjacent rooms; and the effect of non-equilibrium due to 222Rn exhalation. To verify the precision, the proposed method is applied to three Dutch reference dwellings, i.e., a row house, a coupled house, and a gallery apartment. The averaged difference with MCNP calculations is found to be 4%.

  4. Model Simulasi Risiko Rantai Pasok Material Proyek Konstruksi Gedung

    Directory of Open Access Journals (Sweden)

    Jati Utomo Dwi Hatmoko

    2017-07-01

    Full Text Available Delays related to materials are one of main problems of construction project. An effective supply chain management has a significant role in preventing this type of delay. The aim of this research is develop risk simulation model of construction supply chain in buildings. The materials include steel bars, steel profiles, formwork, and precast concrete, as they are considered the main building material. The supply chain risks are classified from supply, control, process, and demand sides. Monte Carlo simulation has been performed using Cristal Ball software. Risk identification was done through literature review, site observation, and interviews with 29 contractor personnel  working for nine building projects. The simulation results show that the minimum, maximum, and most frequent delays (in days, as follows: steel bars (2.20. 17.05, 11.24; steel profiles (2.12, 15.10, 9.75, formwork (1.79, 16.04, 10.45, precast concrete (1.76, 15.61, 10.24.  The sensitivity analysis shows that delay due to change order from client is the most sensitive for  steel bars, steel profiles, and formwork of 25.5%, 37.4%, dan 17%, respectively. The results of this research is useful for contractors and owners who can use them as a guidance in identifying, predicting, and mitigating supply chain risks for a successful project.

  5. Cluster model calculations of the solid state materials electron structure

    International Nuclear Information System (INIS)

    Pelikan, P.; Biskupic, S.; Banacky, P.; Zajac, A.; Svrcek, A.; Noga, J.

    1997-01-01

    Materials of the general composition ACuO 2 are the parent compounds of so called infinite layer superconductors. In the paper presented the electron structure of the compounds CaCuO 2 , SrCuO2, Ca 0.86 Sr 0.14 CuO2 and Ca 0.26 Sr 0.74 CuO 2 were calculated. The cluster models consisting of 192 atoms were computed using quasi relativistic version of semiempirical INDO method. The obtained results indicate the strong ionicity of Ca/Sr-O bonds and high covalency of Cu-bonds. The width of energy gap at the Fermi level increases as follows: Ca 0.26 Sr 0.74 CuO 2 0.86 Sr 0.14 CuO2 2 . This order correlates with the fact that materials of the composition Ca x Sr 1-x CuO 2 have have the high temperatures of the superconductive transition (up to 110 K). Materials partially substituted by Sr 2+ have also the higher density of states in the close vicinity at the Fermi level that ai the additional condition for the possibility of superconductive transition. It was calculated the strong influence of the vibration motions to the energy gap at the Fermi level. (authors). 1 tabs., 2 figs., 10 refs

  6. Predictive modeling of terrestrial radiation exposure from geologic materials

    Science.gov (United States)

    Haber, Daniel A.

    Aerial gamma ray surveys are an important tool for national security, scientific, and industrial interests in determining locations of both anthropogenic and natural sources of radioactivity. There is a relationship between radioactivity and geology and in the past this relationship has been used to predict geology from an aerial survey. The purpose of this project is to develop a method to predict the radiologic exposure rate of the geologic materials in an area by creating a model using geologic data, images from the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER), geochemical data, and pre-existing low spatial resolution aerial surveys from the National Uranium Resource Evaluation (NURE) Survey. Using these data, geospatial areas, referred to as background radiation units, homogenous in terms of K, U, and Th are defined and the gamma ray exposure rate is predicted. The prediction is compared to data collected via detailed aerial survey by our partner National Security Technologies, LLC (NSTec), allowing for the refinement of the technique. High resolution radiation exposure rate models have been developed for two study areas in Southern Nevada that include the alluvium on the western shore of Lake Mohave, and Government Wash north of Lake Mead; both of these areas are arid with little soil moisture and vegetation. We determined that by using geologic units to define radiation background units of exposed bedrock and ASTER visualizations to subdivide radiation background units of alluvium, regions of homogeneous geochemistry can be defined allowing for the exposure rate to be predicted. Soil and rock samples have been collected at Government Wash and Lake Mohave as well as a third site near Cameron, Arizona. K, U, and Th concentrations of these samples have been determined using inductively coupled mass spectrometry (ICP-MS) and laboratory counting using radiation detection equipment. In addition, many sample locations also have

  7. Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems

    International Nuclear Information System (INIS)

    Kovalenko, Andriy

    2014-01-01

    Cellulose Nanocrysals (CNC) is a renewable biodegradable biopolymer with outstanding mechanical properties made from highly abundant natural source, and therefore is very attractive as reinforcing additive to replace petroleum-based plastics in biocomposite materials, foams, and gels. Large-scale applications of CNC are currently limited due to its low solubility in non-polar organic solvents used in existing polymerization technologies. The solvation properties of CNC can be improved by chemical modification of its surface. Development of effective surface modifications has been rather slow because extensive chemical modifications destabilize the hydrogen bonding network of cellulose and deteriorate the mechanical properties of CNC. We employ predictive multiscale theory, modeling, and simulation to gain a fundamental insight into the effect of CNC surface modifications on hydrogen bonding, CNC crystallinity, solvation thermodynamics, and CNC compatibilization with the existing polymerization technologies, so as to rationally design green nanomaterials with improved solubility in non-polar solvents, controlled liquid crystal ordering and optimized extrusion properties. An essential part of this multiscale modeling approach is the statistical- mechanical 3D-RISM-KH molecular theory of solvation, coupled with quantum mechanics, molecular mechanics, and multistep molecular dynamics simulation. The 3D-RISM-KH theory provides predictive modeling of both polar and non-polar solvents, solvent mixtures, and electrolyte solutions in a wide range of concentrations and thermodynamic states. It properly accounts for effective interactions in solution such as steric effects, hydrophobicity and hydrophilicity, hydrogen bonding, salt bridges, buffer, co-solvent, and successfully predicts solvation effects and processes in bulk liquids, solvation layers at solid surface, and in pockets and other inner spaces of macromolecules and supramolecular assemblies. This methodology

  8. Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems

    Science.gov (United States)

    Kovalenko, Andriy

    2014-08-01

    Cellulose Nanocrysals (CNC) is a renewable biodegradable biopolymer with outstanding mechanical properties made from highly abundant natural source, and therefore is very attractive as reinforcing additive to replace petroleum-based plastics in biocomposite materials, foams, and gels. Large-scale applications of CNC are currently limited due to its low solubility in non-polar organic solvents used in existing polymerization technologies. The solvation properties of CNC can be improved by chemical modification of its surface. Development of effective surface modifications has been rather slow because extensive chemical modifications destabilize the hydrogen bonding network of cellulose and deteriorate the mechanical properties of CNC. We employ predictive multiscale theory, modeling, and simulation to gain a fundamental insight into the effect of CNC surface modifications on hydrogen bonding, CNC crystallinity, solvation thermodynamics, and CNC compatibilization with the existing polymerization technologies, so as to rationally design green nanomaterials with improved solubility in non-polar solvents, controlled liquid crystal ordering and optimized extrusion properties. An essential part of this multiscale modeling approach is the statistical- mechanical 3D-RISM-KH molecular theory of solvation, coupled with quantum mechanics, molecular mechanics, and multistep molecular dynamics simulation. The 3D-RISM-KH theory provides predictive modeling of both polar and non-polar solvents, solvent mixtures, and electrolyte solutions in a wide range of concentrations and thermodynamic states. It properly accounts for effective interactions in solution such as steric effects, hydrophobicity and hydrophilicity, hydrogen bonding, salt bridges, buffer, co-solvent, and successfully predicts solvation effects and processes in bulk liquids, solvation layers at solid surface, and in pockets and other inner spaces of macromolecules and supramolecular assemblies. This methodology

  9. Computational modelling of Er(3+): Garnet laser materials

    Science.gov (United States)

    Spangler, Lee H.

    1994-01-01

    The Er(3+) ion has attracted a lot of interest for four reasons: (1) Its (4)I(sub 13/2) yields (4)I(sub 15/2) transition lases in the eyesafe region near 1.5 micron; (2) the (4)I(sub 13/2) transition lases near 2.8 micron, an important wavelength for surgical purposes; (3) it displays surprisingly efficient upconversion with lasing observed at 1.7, 1.2, 0.85, 0.56, 0.55, and 0.47 micron following 1.5 micron pumping; and (4) it has absorption bands at 0.96 and 0.81 micron and thus can be diode pumped. However, properties desirable for upconversion reduce the efficiency of 1.5 and 3 micron laser operation and vice versa. Since all of the processes are influenced by the host via the crystal field induced stark splittings in the Er levels, this project undertook modelling of the host influence on the Er lasinng behavior. While growth and measurement of all ten Er(3+) doped garnets is the surest way of identifying hosts which maximize upconversion (or conversly, 1.5 and 3 micron performance), it is also expensive - costing approximately $10,000/material or approximately $100,000 for the materials computationally investigated here. The calculations were performed using a quantum mechanical point charge model developed by Clyde Morrison at Harry Diamond Laboratories. The programs were used to fit the Er:YAG experimental energy levels so that the crystal field parameters, B(sub nm) could be extracted. From these radial factors, rho (sub n) were determined for Er(3+) in garnets. These, in combination with crystal field components, Anm, available from X-ray data, were used to predict energy levels for Er in the other nine garnet hosts. The levels in Er:YAG were fit with an rms error of 12.2/cm over a 22,000/cm range. Predicted levels for two other garnets for which literature values were available had rms errors of less than 17/cm , showing the calculations to be reliable. Based on resonances between pairs of calculated stark levels, the model predicts GSGG as the best host

  10. Local probing by use of transparent model materials

    Science.gov (United States)

    Philippe, P.

    2017-12-01

    The present contribution emphasizes on two distinct examples the benefit with using transparent materials that enable direct visualization within different types of model systems. Our first use of transparent materials investigates the elementary mechanisms involved in soil erosion based on three key ingredients: a) cohesive model materials (i.e. glass beads bonded by solid bridges); b) optical techniques (Refractive Index Matching and Planar Laser Induced Fluorescence [1,2]) ; c) specific mechanical tests to estimate the mechanical strength of the solid bonds. Then, critical shear-stress at erosion onset can be related to tensile strength considering an extension of the classical Shields' number [3,4].Our second example uses a transparent elasto-visco-plastic fluid (Carbopol) as a model of debris flows. Different geometrical configurations allow for an accurate investigation of the flow over an obstacle [5] or a cavity [6], inducing the existence of a dead-zone and consequently of a frontier between solid-like and fluid-like regions that is of particular relevance for debris flows mobilization and deposition. Practically, the hydrodynamics of the flow is investigated by means of high-resolution optical velocimetry (PIV) and underlines a non-monotonous evolution of the shear rate, which increases from zero at the solid-liquid interface, passes through a peak (sometimes leveling off at its maximum value), and returns to zero in a plug zone sufficiently far above the cavity or the obstacle. [1] Philippe P., and Badiane M. Phys. Rev. E 87, 042206 (2013). [2] Dijksman J.A., Rietz F., Lorincz K.A., van Hecke M., and Losert W. Review of Scientific Instruments 83(1), 011301 (2012). [3] Badr S., Gauthier G., and Gondret P. Phys. Fluids 26:023302 (2014). [4] Brunier-Coulin F., Cuéllar P., and Philippe P. Phys. Rev. Fluids 87, 2: 034302 (2017). [5] Luu L.-H., Philippe P., and Chambon G. Phys. Rev. E 91, 013013 (2015). [6] Luu L.-H., Philippe P.; and Chambon G. Journal of

  11. A variational multiscale constitutive model for nanocrystalline materials

    KAUST Repository

    Gurses, Ercan; El Sayed, Tamer S.

    2011-01-01

    grain interior phase and a grain boundary effected zone (GBAZ). A rate-independent isotropic porous plasticity model is employed to describe the GBAZ, whereas a crystal-plasticity model which accounts for the transition from partial dislocation to full

  12. Sensitivity of hydrological performance assessment analysis to variations in material properties, conceptual models, and ventilation models

    Energy Technology Data Exchange (ETDEWEB)

    Sobolik, S.R.; Ho, C.K.; Dunn, E. [Sandia National Labs., Albuquerque, NM (United States); Robey, T.H. [Spectra Research Inst., Albuquerque, NM (United States); Cruz, W.T. [Univ. del Turabo, Gurabo (Puerto Rico)

    1996-07-01

    The Yucca Mountain Site Characterization Project is studying Yucca Mountain in southwestern Nevada as a potential site for a high-level nuclear waste repository. Site characterization includes surface- based and underground testing. Analyses have been performed to support the design of an Exploratory Studies Facility (ESF) and the design of the tests performed as part of the characterization process, in order to ascertain that they have minimal impact on the natural ability of the site to isolate waste. The information in this report pertains to sensitivity studies evaluating previous hydrological performance assessment analyses to variation in the material properties, conceptual models, and ventilation models, and the implications of this sensitivity on previous recommendations supporting ESF design. This document contains information that has been used in preparing recommendations for Appendix I of the Exploratory Studies Facility Design Requirements document.

  13. Sensitivity of hydrological performance assessment analysis to variations in material properties, conceptual models, and ventilation models

    International Nuclear Information System (INIS)

    Sobolik, S.R.; Ho, C.K.; Dunn, E.; Robey, T.H.; Cruz, W.T.

    1996-07-01

    The Yucca Mountain Site Characterization Project is studying Yucca Mountain in southwestern Nevada as a potential site for a high-level nuclear waste repository. Site characterization includes surface- based and underground testing. Analyses have been performed to support the design of an Exploratory Studies Facility (ESF) and the design of the tests performed as part of the characterization process, in order to ascertain that they have minimal impact on the natural ability of the site to isolate waste. The information in this report pertains to sensitivity studies evaluating previous hydrological performance assessment analyses to variation in the material properties, conceptual models, and ventilation models, and the implications of this sensitivity on previous recommendations supporting ESF design. This document contains information that has been used in preparing recommendations for Appendix I of the Exploratory Studies Facility Design Requirements document

  14. From Real Materials to Model Hamiltonians With Density Matrix Downfolding

    Directory of Open Access Journals (Sweden)

    Huihuo Zheng

    2018-05-01

    Full Text Available Due to advances in computer hardware and new algorithms, it is now possible to perform highly accurate many-body simulations of realistic materials with all their intrinsic complications. The success of these simulations leaves us with a conundrum: how do we extract useful physical models and insight from these simulations? In this article, we present a formal theory of downfolding–extracting an effective Hamiltonian from first-principles calculations. The theory maps the downfolding problem into fitting information derived from wave functions sampled from a low-energy subspace of the full Hilbert space. Since this fitting process most commonly uses reduced density matrices, we term it density matrix downfolding (DMD.

  15. FEMA: a Finite Element Model of Material Transport through Aquifers

    International Nuclear Information System (INIS)

    Yeh, G.T.; Huff, D.D.

    1985-01-01

    This report documents the construction, verification, and demonstration of a Finite Element Model of Material Transport through Aquifers (FEMA). The particular features of FEMA are its versatility and flexibility to deal with as many real-world problems as possible. Mechanisms included in FEMA are: carrier fluid advection, hydrodynamic dispersion and molecular diffusion, radioactive decay, sorption, source/sinks, and degradation due to biological, chemical as well as physical processes. Three optional sorption models are embodied in FEMA. These are linear isotherm and Freundlich and Langmuir nonlinear isotherms. Point as well as distributed source/sinks are included to represent artificial injection/withdrawals and natural infiltration of precipitation. All source/sinks can be transient or steady state. Prescribed concentration on the Dirichlet boundary, given gradient on the Neumann boundary segment, and flux at each Cauchy boundary segment can vary independently of each other. The aquifer may consist of as many formations as desired. Either completely confined or completely unconfined or partially confined and partially unconfined aquifers can be dealt with effectively. FEMA also includes transient leakage to or from the aquifer of interest through confining beds from or to aquifers lying below and/or above

  16. FEMA: a Finite Element Model of Material Transport through Aquifers

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, G.T.; Huff, D.D.

    1985-01-01

    This report documents the construction, verification, and demonstration of a Finite Element Model of Material Transport through Aquifers (FEMA). The particular features of FEMA are its versatility and flexibility to deal with as many real-world problems as possible. Mechanisms included in FEMA are: carrier fluid advection, hydrodynamic dispersion and molecular diffusion, radioactive decay, sorption, source/sinks, and degradation due to biological, chemical as well as physical processes. Three optional sorption models are embodied in FEMA. These are linear isotherm and Freundlich and Langmuir nonlinear isotherms. Point as well as distributed source/sinks are included to represent artificial injection/withdrawals and natural infiltration of precipitation. All source/sinks can be transient or steady state. Prescribed concentration on the Dirichlet boundary, given gradient on the Neumann boundary segment, and flux at each Cauchy boundary segment can vary independently of each other. The aquifer may consist of as many formations as desired. Either completely confined or completely unconfined or partially confined and partially unconfined aquifers can be dealt with effectively. FEMA also includes transient leakage to or from the aquifer of interest through confining beds from or to aquifers lying below and/or above.

  17. Vacuum System and Modeling for the Materials Plasma Exposure Experiment

    International Nuclear Information System (INIS)

    Lumsdaine, Arnold; Meitner, Steve; Graves, Van; Bradley, Craig; Stone, Chris

    2017-01-01

    Understanding the science of plasma-material interactions (PMI) is essential for the future development of fusion facilities. The design of divertors and first walls for the next generation of long-pulse fusion facilities, such as a Fusion Nuclear Science Facility (FNSF) or a DEMO, requires significant PMI research and development. In order to meet this need, a new linear plasma facility, the Materials Plasma Exposure Experiment (MPEX) is proposed, which will produce divertor relevant plasma conditions for these next generation facilities. The device will be capable of handling low activation irradiated samples and be able to remove and replace samples without breaking vacuum. A Target Exchange Chamber (TEC) which can be disconnected from the high field environment in order to perform in-situ diagnostics is planned for the facility as well. The vacuum system for MPEX must be carefully designed in order to meet the requirements of the different heating systems, and to provide conditions at the target similar to those expected in a divertor. An automated coupling-decoupling (“autocoupler”) system is designed to create a high vacuum seal, and will allow the TEC to be disconnected without breaking vacuum in either the TEC or the primary plasma materials interaction chamber. This autocoupler, which can be actuated remotely in the presence of the high magnetic fields, has been designed and prototyped, and shows robustness in a variety of conditions. The vacuum system has been modeled using a simplified finite element analysis, and indicates that the design goals for the pressures in key regions of the facility are achievable.

  18. Theoretical model for the hydrogen-material interaction as a basis for prediction of the material mechanical properties

    International Nuclear Information System (INIS)

    Indeitsev, D.A.; Polyanskiy, V.A.; Sukhanov, A.A.; Belyaev, A.A.

    2009-01-01

    The natural law concentration of hydrogen inside the materials has a distribution over the different binding energies. This distribution is changing under the mechanical tension. The model of interaction of the small hydrogen concentration with materials provides one with an instrument for modeling the materials fatigue and destruction, as well as the prediction of material properties during exploitation. The well-known models are of the phenomenological nature. However if one takes into account the physical mechanism then one obtains an accurate model and the instrument for the reliable prediction. The two-continuum model of the solid material is a substantiation for the present study. This model describes the interaction between the low concentration of hydrogen and the material. The redistribution of the hydrogen between the different binding energy levels is taken into account, too

  19. Model Stirrer Based on a Multi-Material Turntable for Microwave Processing Materials

    Directory of Open Access Journals (Sweden)

    Jinghua Ye

    2017-01-01

    Full Text Available Microwaves have been widely used in the treatment of materials, such as heating, drying, and sterilization. However, the heating in the commonly used microwave applicators is usually uneven. In this paper, a novel multi-material turntable structure is creatively proposed to improve the temperature uniformity in microwave ovens. Three customized turntables consisting of polyethylene (PE and alumina, PE and aluminum, and alumina and aluminum are, respectively, utilized in a domestic microwave oven in simulation. During the heating process, the processed material is placed on a fixed Teflon bracket which covers the constantly rotating turntable. Experiments are conducted to measure the surface and point temperatures using an infrared thermal imaging camera and optical fibers. Simulated results are compared qualitatively with the measured ones, which verifies the simulated models. Compared with the turntables consisting of a single material, a 26%–47% increase in temperature uniformity from adapting the multi-material turntable can be observed for the microwave-processed materials.

  20. Mechanical Characterization and Material Modeling of Diabetic Aortas in a Rabbit Model.

    Science.gov (United States)

    Tong, Jianhua; Yang, F; Li, X; Xu, X; Wang, G X

    2018-03-01

    Diabetes has been recognized as a major risk factor to cause macrovascular diseases and plays a key role in aortic wall remodeling. However, the effects of diabetes on elastic properties of aortas remain largely unknown and quantitative mechanical data are lacking. Thirty adult rabbits (1.6-2.2 kg) were collected and the type 1 diabetic rabbit model was induced by injection of alloxan. A total of 15 control and 15 diabetic rabbit (abdominal) aortas were harvested. Uniaxial and biaxial tensile tests were performed to measure ultimate tensile strength and to characterize biaxial mechanical behaviors of the aortas. A material model was fitted to the biaxial experimental data to obtain constitutive parameters. Histological and mass fraction analyses were performed to investigate the underlying microstructure and dry weight percentages of elastin and collagen in the control and the diabetic aortas. No statistically significant difference was found in ultimate tensile strength between the control and the diabetic aortas. Regarding biaxial mechanical responses, the diabetic aortas exhibited significantly lower extensibility and significantly higher tissue stiffness than the control aortas. Notably, tissue stiffening occurred in both circumferential and axial directions for the diabetic aortas; however, mechanical anisotropy does not change significantly. The material model was able to fit biaxial experimental data very well. Histology showed that a number of isolated foam cells were embedded in the diabetic aortas and hyperplasia of collagen was identified. The dry weight percentages of collagen within the diabetic aortas increased significantly as compared to the control aortas, whereas no significant change was found for that of elastin. Our data suggest that the diabetes impairs elastic properties and alters microstructure of the aortas and consequently, these changes may further contribute to complex aortic wall remodeling.

  1. A Model of Research Paper Writing Instructional Materials for Academic Writing Course: "Needs & Documents Analysis and Model Design"

    Science.gov (United States)

    Ghufron, M. Ali; Saleh, Mursid; Warsono; Sofwan, Ahmad

    2016-01-01

    This study aimed at designing a model of instructional materials for Academic Writing Course focusing on research paper writing. The model was designed based on the Curriculum at the English Education Study Program, Faculty of Language and Art Education of IKIP PGRI Bojonegoro, East Java, Indonesia. This model was developed in order to improve…

  2. Towards CFD modeling of turbulent pipeline material transportation

    Science.gov (United States)

    Shahirpour, Amir; Herzog, Nicoleta; Egbers, Cristoph

    2013-04-01

    Safe and financially efficient pipeline transportation of carbon dioxide is a critical issue in the developing field of the CCS Technology. In this part of the process, carbon dioxide is transported via pipes with diameter of 1.5 m and entry pressure of 150 bar, with Reynolds number of 107 and viscosity of 8×10(-5) Pa.s as dense fluid [1]. Presence of large and small scale structures in the pipeline, high Reynolds numbers at which CO2 should be transferred, and 3 dimensional turbulence caused by local geometrical modifications, increase the importance of simulation of turbulent material transport through the individual components of the CO2 chain process. In this study, incompressible turbulent channel flow and pipe flow have been modeled using OpenFoam, an open source CFD software. In the first step, simulation of a turbulent channel flow has been considered using LES for shear Reynolds number of 395. A simple geometry has been chosen with cyclic fluid inlet and outlet boundary conditions to simulate a fully developed flow. The mesh is gradually refined towards the wall to provide values close enough to the wall for the wall coordinate (y+). Grid resolution study has been conducted for One-Equation model. The accuracy of the results is analyzed with respect to the grid smoothness in order to reach an optimized resolution for carrying out the next simulations. Furthermore, three LES models, One-Equation, Smagorinsky and Dynamic Smagorinsky are applied for the grid resolution of (60 × 100 × 80) in (x, y, z) directions. The results are then validated with reference to the DNS carried out by Moser et al.[2] for the similar geometry using logarithmic velocity profile (U+) and Reynolds stress tensor components. In the second step the similar flow is modeled using Reynolds averaged method. Several RANS models, like K-epsilon and Launder-Reece-Rodi are applied and validated against DNS and LES results in a similar fashion. In the most recent step, it has been intended

  3. Drying of materials in fluidized bed: mathematical modeling

    International Nuclear Information System (INIS)

    Wildhagen, Gloria Regina S.; Silva, Eder F.; Calcada, Luis A.; Massarani, Giulio

    2000-01-01

    A three phase mathematical model for drying process in a fluidized bed was established. This model representing a bubble, interstitial gas and solid phase was based on principles of mass and energy conservation and on empirical relations for heat and mass transfer between phases. A fluidized bed dryer was built to test the results of proposed model with those obtained by experiments using alumina particles as a bed charge. A good agreement between the numerical and the experimental results were observed(author)

  4. Multiscale modeling of emergent materials: biological and soft matter

    DEFF Research Database (Denmark)

    Murtola, Teemu; Bunker, Alex; Vattulainen, Ilpo

    2009-01-01

    In this review, we focus on four current related issues in multiscale modeling of soft and biological matter. First, we discuss how to use structural information from detailed models (or experiments) to construct coarse-grained ones in a hierarchical and systematic way. This is discussed in the c......In this review, we focus on four current related issues in multiscale modeling of soft and biological matter. First, we discuss how to use structural information from detailed models (or experiments) to construct coarse-grained ones in a hierarchical and systematic way. This is discussed...

  5. Modeling self-organization of novel organic materials

    Science.gov (United States)

    Sayar, Mehmet

    In this thesis, the structural organization of oligomeric multi-block molecules is analyzed by computational analysis of coarse-grained models. These molecules form nanostructures with different dimensionalities, and the nanostructured nature of these materials leads to novel structural properties at different length scales. Previously, a number of oligomeric triblock rodcoil molecules have been shown to self-organize into mushroom shaped noncentrosymmetric nanostructures. Interestingly, thin films of these molecules contain polar domains and a finite macroscopic polarization. However, the fully polarized state is not the equilibrium state. In the first chapter, by solving a model with dipolar and Ising-like short range interactions, we show that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a ≈ 6 nm), leading to a reduction in the repulsive dipolar interactions that oppose polar order within layers. This enables the formation of a striped pattern with polar domains of alternating directions. The energies of the possible structures at zero temperature are computed exactly and results of Monte Carlo simulations are provided at non-zero temperatures. In the second chapter, the macroscopic polarization of such nanostructured films is analyzed in the presence of a short range surface interaction. The surface interaction leads to a periodic domain structure where the balance between the up and down domains is broken, and therefore films of finite thickness have a net macroscopic polarization. The polarization per unit volume is a function of film thickness and strength of the surface interaction. Finally, in chapter three, self-organization of organic molecules into a network of one dimensional objects is analyzed. Multi-block organic dendron rodcoil molecules were found to self-organize into supramolecular nanoribbons (threads) and

  6. Modelling of the physical behaviour of water saturated clay barriers. Laboratory tests, material models and finite element application

    International Nuclear Information System (INIS)

    Boergesson, L.; Johannesson, L.E.; Sanden, T.; Hernelind, J.

    1995-09-01

    This report deals with laboratory testing and modelling of the thermo-hydro-mechanical (THM) properties of water saturated bentonite based buffer materials. A number of different laboratory tests have been performed and the results are accounted for. These test results have lead to a tentative material model, consisting of several sub-models, which is described in the report. The tentative model has partly been adapted to the material models available in the finite element code ABAQUS and partly been implemented and incorporated in the code. The model that can be used for ABAQUS calculations agrees with the tentative model with a few exceptions. The model has been used in a number of verification calculations, simulating different laboratory tests, and the results have been compared with actual measurements. These calculations show that the model generally can be used for THM calculations of the behaviour of water saturated buffer materials, but also that there is still a lack of some understanding. It is concluded that the available model is relevant for the required predictions of the THM behaviour but that a further improvement of the model is desirable

  7. The mechanical properties modeling of nano-scale materials by molecular dynamics

    NARCIS (Netherlands)

    Yuan, C.; Driel, W.D. van; Poelma, R.; Zhang, G.Q.

    2012-01-01

    We propose a molecular modeling strategy which is capable of mod-eling the mechanical properties on nano-scale low-dielectric (low-k) materials. Such modeling strategy has been also validated by the bulking force of carbon nano tube (CNT). This modeling framework consists of model generation method,

  8. Modelling Emission from Building Materials with Computational Fluid Dynamics

    DEFF Research Database (Denmark)

    Topp, Claus; Nielsen, Peter V.; Heiselberg, Per

    This paper presents a numerical model that by means of computational fluid dynamics (CFD) is capable of dealing with both pollutant transport across the boundary layer and internal diffusion in the source without prior knowledge of which is the limiting process. The model provides the concentration...

  9. Pile group program for full material modeling and progressive failure.

    Science.gov (United States)

    2008-12-01

    Strain wedge (SW) model formulation has been used, in previous work, to evaluate the response of a single pile or a group of piles (including its : pile cap) in layered soils to lateral loading. The SW model approach provides appropriate prediction f...

  10. Non-linear modeling of active biohybrid materials

    KAUST Repository

    Paetsch, C.; Dorfmann, A.

    2013-01-01

    , such as those of Manduca sexta. In this study, we propose a model to assist in the analysis of biohybrid constructs by generalizing a recently proposed constitutive law for Manduca muscle tissue. The continuum model accounts (i) for the stimulation of muscle

  11. Supplementary Material for: Factor Copula Models for Replicated Spatial Data

    KAUST Repository

    Krupskii, Pavel; Huser, Raphaë l; Genton, Marc G.

    2016-01-01

    We propose a new copula model that can be used with replicated spatial data. Unlike the multivariate normal copula, the proposed copula is based on the assumption that a common factor exists and affects the joint dependence of all measurements of the process. Moreover, the proposed copula can model tail dependence and tail asymmetry. The model is parameterized in terms of a covariance function that may be chosen from the many models proposed in the literature, such as the Matérn model. For some choice of common factors, the joint copula density is given in closed form and therefore likelihood estimation is very fast. In the general case, one-dimensional numerical integration is needed to calculate the likelihood, but estimation is still reasonably fast even with large data sets. We use simulation studies to show the wide range of dependence structures that can be generated by the proposed model with different choices of common factors. We apply the proposed model to spatial temperature data and compare its performance with some popular geostatistics models.

  12. Combining adhesive contact mechanics with a viscoelastic material model to probe local material properties by AFM.

    Science.gov (United States)

    Ganser, Christian; Czibula, Caterina; Tscharnuter, Daniel; Schöberl, Thomas; Teichert, Christian; Hirn, Ulrich

    2017-12-20

    Viscoelastic properties are often measured using probe based techniques such as nanoindentation (NI) and atomic force microscopy (AFM). Rarely, however, are these methods verified. In this article, we present a method that combines contact mechanics with a viscoelastic model (VEM) composed of springs and dashpots. We further show how to use this model to determine viscoelastic properties from creep curves recorded by a probe based technique. We focus on using the standard linear solid model and the generalized Maxwell model of order 2. The method operates in the range of 0.01 Hz to 1 Hz. Our approach is suitable for rough surfaces by providing a defined contact area using plastic pre-deformation of the material. The very same procedure is used to evaluate AFM based measurements as well as NI measurements performed on polymer samples made from poly(methyl methacrylate) and polycarbonate. The results of these measurements are then compared to those obtained by tensile creep tests also performed on the same samples. It is found that the tensile test results differ considerably from the results obtained by AFM and NI methods. The similarity between the AFM results and NI results suggests that the proposed method is capable of yielding results comparable to NI but with the advantage of the imaging possibilities of AFM. Furthermore, all three methods allowed a clear distinction between PC and PMMA by means of their respective viscoelastic properties.

  13. A fiber bridging model for fatigue delamination in composite materials

    International Nuclear Information System (INIS)

    Gregory, Jeremy R.; Spearing, S. Mark

    2004-01-01

    A fiber bridging model has been created to examine the effects of bridging on Mode I delamination fatigue fracture in a carbon fiber polymer-matrix composite. The model uses a cohesive zone law that is derived from quasi-static R-curves to determine the bridging energy applied in the bridged region. Timoshenko beam theory and an iterative self-consistent scheme are used to calculate the bridging tractions and displacements. After applying the bridging model to crack propagation data the scatter in the data was significantly reduced and clear trends were observed as a function of temperature that were not apparent previously. This indicated that the model appropriately accounted for the bridging in the experiments. Scanning electron microscopy crack opening displacement measurements were performed to validate the model's predictions. The measurements showed that the predictions were close to the actual bridging levels in the specimen

  14. Laminated materials with plastic interfaces: modeling and calculation

    International Nuclear Information System (INIS)

    Sandino Aquino de los Ríos, Gilberto; Castañeda Balderas, Rubén; Diaz Diaz, Alberto; Duong, Van Anh; Chataigner, Sylvain; Caron, Jean-François; Ehrlacher, Alain; Foret, Gilles

    2009-01-01

    In this paper, a model of laminated plates called M4-5N and validated in a previous paper is modified in order to take into account interlaminar plasticity by means of displacement discontinuities at the interfaces. These discontinuities are calculated by adapting a 3D plasticity model. In order to compute the model, a Newton–Raphson-like method is employed. In this method, two sub-problems are considered: one is linear and the other is non-linear. In the linear problem the non-linear equations of the model are linearized and the calculations are performed by making use of a finite element software. By iterating the resolution of each sub-problem, one obtains after convergence the solution of the global problem. The model is then applied to the problem of a double lap, adhesively bonded joint subjected to a tensile load. The adhesive layer is modeled by an elastic–plastic interface. The results of the M4-5N model are compared with those of a commercial finite element software. A good agreement between the two computation techniques is obtained and validates the non-linear calculations proposed in this paper. Finally, the numerical tool and a delamination criterion are applied to predict delamination onset in composite laminates

  15. Excised Abdominoplasty Material as a Systematic Plastic Surgical Training Model

    Directory of Open Access Journals (Sweden)

    M. Erol Demirseren

    2012-01-01

    Full Text Available Achieving a level of technical skill and confidence in surgical operations is the main goal of plastic surgical training. Operating rooms were accepted as the practical teaching venues of the traditional apprenticeship model. However, increased patient population, time, and ethical and legal considerations made preoperation room practical work a must for plastic surgical training. There are several plastic surgical teaching models and simulators which are very useful in preoperation room practical training and the evaluation of plastic surgery residents. The full thickness skin with its vascular network excised in abdominoplasty procedures is an easily obtainable real human tissue which could be used as a training model in plastic surgery.

  16. Different radiation impedance models for finite porous materials

    DEFF Research Database (Denmark)

    Nolan, Melanie; Jeong, Cheol-Ho; Brunskog, Jonas

    2015-01-01

    The Sabine absorption coefficients of finite absorbers are measured in a reverberation chamber according to the international standard ISO 354. They vary with the specimen size essentially due to diffraction at the specimen edges, which can be seen as the radiation impedance differing from...... the infinite case. Thus, in order to predict the Sabine absorption coefficients of finite porous samples, one can incorporate models of the radiation impedance. In this study, different radiation impedance models are compared with two experimental examples. Thomasson’s model is compared to Rhazi’s method when...

  17. One-dimensional energy flow model for poroelastic material

    International Nuclear Information System (INIS)

    Kim, Jung Soo; Kang, Yeon June

    2009-01-01

    This paper presents a one-dimensional energy flow model to investigate the energy behavior for poroelastic media coupled with acoustical media. The proposed energy flow model is expressed by an independent energy governing equation that is classified into each wave component propagating in poroelastic media. The energy governing equation is derived using the General Energetic Method (GEM). To facilitate a comparison with the classical solution based on the conventional displacement-base formulation, approximate solutions of energy density and intensity are obtained. Furthermore, the limitations and usability of the proposed energy flow model for poroelastic media are described.

  18. Probabilistic Multi-Factor Interaction Model for Complex Material Behavior

    Science.gov (United States)

    Abumeri, Galib H.; Chamis, Christos C.

    2010-01-01

    Complex material behavior is represented by a single equation of product form to account for interaction among the various factors. The factors are selected by the physics of the problem and the environment that the model is to represent. For example, different factors will be required for each to represent temperature, moisture, erosion, corrosion, etc. It is important that the equation represent the physics of the behavior in its entirety accurately. The Multi-Factor Interaction Model (MFIM) is used to evaluate the divot weight (foam weight ejected) from the external launch tanks. The multi-factor has sufficient degrees of freedom to evaluate a large number of factors that may contribute to the divot ejection. It also accommodates all interactions by its product form. Each factor has an exponent that satisfies only two points - the initial and final points. The exponent describes a monotonic path from the initial condition to the final. The exponent values are selected so that the described path makes sense in the absence of experimental data. In the present investigation, the data used were obtained by testing simulated specimens in launching conditions. Results show that the MFIM is an effective method of describing the divot weight ejected under the conditions investigated. The problem lies in how to represent the divot weight with a single equation. A unique solution to this problem is a multi-factor equation of product form. Each factor is of the following form (1 xi/xf)ei, where xi is the initial value, usually at ambient conditions, xf the final value, and ei the exponent that makes the curve represented unimodal that meets the initial and final values. The exponents are either evaluated by test data or by technical judgment. A minor disadvantage may be the selection of exponents in the absence of any empirical data. This form has been used successfully in describing the foam ejected in simulated space environmental conditions. Seven factors were required

  19. Materials and nanosystems : interdisciplinary computational modeling at multiple scales

    International Nuclear Information System (INIS)

    Huber, S.E.

    2014-01-01

    Over the last five decades, computer simulation and numerical modeling have become valuable tools complementing the traditional pillars of science, experiment and theory. In this thesis, several applications of computer-based simulation and modeling shall be explored in order to address problems and open issues in chemical and molecular physics. Attention shall be paid especially to the different degrees of interrelatedness and multiscale-flavor, which may - at least to some extent - be regarded as inherent properties of computational chemistry. In order to do so, a variety of computational methods are used to study features of molecular systems which are of relevance in various branches of science and which correspond to different spatial and/or temporal scales. Proceeding from small to large measures, first, an application in astrochemistry, the investigation of spectroscopic and energetic aspects of carbonic acid isomers shall be discussed. In this respect, very accurate and hence at the same time computationally very demanding electronic structure methods like the coupled-cluster approach are employed. These studies are followed by the discussion of an application in the scope of plasma-wall interaction which is related to nuclear fusion research. There, the interactions of atoms and molecules with graphite surfaces are explored using density functional theory methods. The latter are computationally cheaper than coupled-cluster methods and thus allow the treatment of larger molecular systems, but yield less accuracy and especially reduced error control at the same time. The subsequently presented exploration of surface defects at low-index polar zinc oxide surfaces, which are of interest in materials science and surface science, is another surface science application. The necessity to treat even larger systems of several hundreds of atoms requires the use of approximate density functional theory methods. Thin gold nanowires consisting of several thousands of

  20. Multi-scale modeling strategies in materials science—The ...

    Indian Academy of Sciences (India)

    Unknown

    Multi-scale models; quasicontinuum method; finite elements. 1. Introduction ... boundary with external stresses, and the interaction of a lattice dislocation with a grain ..... mum value of se over the elements that touch node α. The acceleration of ...

  1. Tunable polymeric sorbent materials for fractionation of model naphthenates.

    Science.gov (United States)

    Mohamed, Mohamed H; Wilson, Lee D; Headley, John V

    2013-04-04

    The sorption properties are reported for several examples of single-component carboxylic acids representing naphthenic acids (NAs) with β-cyclodextrin (β-CD) based polyurethane sorbents. Seven single-component examples of NAs were chosen with variable z values, carbon number, and chemical structure as follows: 2-hexyldecanoic acid (z = 0 and C = 16; S1), n-caprylic acid (z = 0 and C = 8; S2), trans-4-pentylcyclohexanecarboxylic acid (z = -2 and C = 12; S3), 4-methylcyclohexanecarboxylic acid (z = -2 and C = 8; S4), dicyclohexylacetic acid (z = -4; C = 14; S5), 4-pentylbicyclo[2.2.2]octane-1-carboxylic acid (z = -4; C = 14; S6), and lithocholic acid (z = -6; C = 24; S7). The copolymer sorbents were synthesized at three relative β-CD:diisocyanate mole ratios (i.e., 1:1, 1:2, and 1:3) using 4,4'-dicyclohexylmethane diisocyanate (CDI) and 4,4'-diphenylmethane diisocyanate (MDI). The sorption properties of the copolymer sorbents were characterized using equilibrium sorption isotherms in aqueous solution at pH 9.00 with electrospray ionization mass spectrometry. The equilibrium fraction of the unbound carboxylate anions was monitored in the aqueous phase. The sorption properties of the copolymer sorbents (i.e., Qm) were obtained from the Sips isotherm model. The Qm values generally decrease as the number of accessible β-CD inclusion sites in the copolymer framework decreases. The chemical structure of the adsorbates played an important role in their relative uptake, as evidenced by the adsorbate lipophilic surface area (LSA) and the involvement of hydrophobic effects. The copolymers exhibit molecular selective sorption of the single-component carboxylates in mixtures which suggests their application as sorbents for fractionation of mixtures of NAs. By comparison, granular activated carbon (GAC) and chitosan sorbents did not exhibit any significant molecular selective sorption relative to the copolymer materials; however, evidence of variable sorption capacity was

  2. Assessing Models of Public Understanding In ELSI Outreach Materials

    Energy Technology Data Exchange (ETDEWEB)

    Bruce V. Lewenstein, Ph.D.; Dominique Brossard, Ph.D.

    2006-03-01

    issues has been used in educational public settings to affect public understanding of science. After a theoretical background discussion, our approach is three-fold. First, we will provide an overview, a ?map? of DOE-funded of outreach programs within the overall ELSI context to identify the importance of the educational component, and to present the criteria we used to select relevant and representative case studies. Second, we will document the history of the case studies. Finally, we will explore an intertwined set of research questions: (1) To identify what we can expect such projects to accomplish -in other words to determine the goals that can reasonably be achieved by different types of outreach, (2) To point out how the case study approach could be useful for DOE-ELSI outreach as a whole, and (3) To use the case study approach as a basis to test theoretical models of science outreach in order to assess to what extent those models accord with real world outreach activities. For this last goal, we aim at identifying what practices among ELSI outreach activities contribute most to dissemination, or to participation, in other words in which cases outreach materials spark action in terms of public participation in decisions about scientific issues.

  3. Dynamic material characterization by combining ballistic testing and an engineering model

    NARCIS (Netherlands)

    Carton, E.P.; Roebroeks, G.H.J.J.; Wal, R. van der

    2013-01-01

    At TNO several energy-based engineering models have been created for various failure mechanism occurring in ballistic testing of materials, like ductile hole growth, denting, plugging, etc. Such models are also under development for ceramic and fiberbased materials (fabrics). As the models are

  4. A fiber bundle-plastic chain model for quasi-brittle materials under uniaxial loading

    International Nuclear Information System (INIS)

    Shan, Zhi; Yu, Zhiwu

    2015-01-01

    A fiber bundle-plastic chain model for quasi-brittle materials under both uniaxial compression and tension conditions is developed. By introducing a plastic chain model into the fiber bundle model, a bundle-chain model for quasi-brittle materials is proposed with physical considerations. The model achieves a novel and convenient approach to describe the stochastic effective stress-driven plasticity. It is found that the numerical solutions obtained with this model agree with experimental results when subjected to both monotonic and cyclic uniaxial loading. The model generates a numerical solution with higher accuracy than the present models, when compared with the experimental results on certain problems. An example is shown which utilizes this model to describe the stochastic properties of a constitutive model given as standard. Furthermore, the difference between the existing plastic fiber bundle models in the literature and this model is also obtained in this work. (paper)

  5. Hybrid Soft Soil Tire Model (HSSTM). Part 1: Tire Material and Structure Modeling

    Science.gov (United States)

    2015-04-28

    Germany. p. 18. 2. Oertel, C., On Modeling Contact and Friction Calculation of Tyre Response on Uneven Roads . Vehicle System Dynamics, 1997. 27(S1): p...touching the ground. This massless tip acts as a sensor point and can be used to detect the tire- road contact . Also, using the direction and value of the...superiority of this model as compared to other lumped parameter models currently available. Keywords: Wheeled Vehicle, Terramechanics, Off- Road

  6. Modelling multiple cycles of static and dynamic recrystallisation using a fully implicit isotropic material model based on dislocation density

    Science.gov (United States)

    Jansen van Rensburg, Gerhardus J.; Kok, Schalk; Wilke, Daniel N.

    2018-03-01

    This paper presents the development and numerical implementation of a state variable based thermomechanical material model, intended for use within a fully implicit finite element formulation. Plastic hardening, thermal recovery and multiple cycles of recrystallisation can be tracked for single peak as well as multiple peak recrystallisation response. The numerical implementation of the state variable model extends on a J2 isotropic hypo-elastoplastic modelling framework. The complete numerical implementation is presented as an Abaqus UMAT and linked subroutines. Implementation is discussed with detailed explanation of the derivation and use of various sensitivities, internal state variable management and multiple recrystallisation cycle contributions. A flow chart explaining the proposed numerical implementation is provided as well as verification on the convergence of the material subroutine. The material model is characterised using two high temperature data sets for cobalt and copper. The results of finite element analyses using the material parameter values characterised on the copper data set are also presented.

  7. Enthalpy recovery in glassy materials: Heterogeneous versus homogenous models

    Science.gov (United States)

    Mazinani, Shobeir K. S.; Richert, Ranko

    2012-05-01

    Models of enthalpy relaxations of glasses are the basis for understanding physical aging, scanning calorimetry, and other phenomena that involve non-equilibrium and non-linear dynamics. We compare models in terms of the nature of the relaxation dynamics, heterogeneous versus homogeneous, with focus on the Kovacs-Aklonis-Hutchinson-Ramos (KAHR) and the Tool-Narayanaswamy-Moynihan (TNM) approaches. Of particular interest is identifying the situations for which experimental data are capable of discriminating the heterogeneous from the homogeneous scenario. The ad hoc assumption of a single fictive temperature, Tf, is common to many models, including KAHR and TNM. It is shown that only for such single-Tf models, enthalpy relaxation of a glass is a two-point correlation function in reduced time, implying that experimental results are not decisive regarding the underlying nature of the dynamics of enthalpy relaxation. We also find that the restriction of the common TNM model to a Kohlrausch-Williams-Watts type relaxation pattern limits the applicability of this approach, as the particular choice regarding the distribution of relaxation times is a more critical factor compared with isothermal relaxation experiments. As a result, significant improvements in fitting calorimetry data can be achieved with subtle adjustments in the underlying relaxation time distribution.

  8. Frequency Response of Synthetic Vocal Fold Models with Linear and Nonlinear Material Properties

    Science.gov (United States)

    Shaw, Stephanie M.; Thomson, Scott L.; Dromey, Christopher; Smith, Simeon

    2012-01-01

    Purpose: The purpose of this study was to create synthetic vocal fold models with nonlinear stress-strain properties and to investigate the effect of linear versus nonlinear material properties on fundamental frequency (F[subscript 0]) during anterior-posterior stretching. Method: Three materially linear and 3 materially nonlinear models were…

  9. Modeling of electromigration salt removal methods in building materials

    DEFF Research Database (Denmark)

    Johannesson, Björn; Ottosen, Lisbeth M.

    2008-01-01

    for salt attack of various kinds, is one potential method to preserve old building envelopes. By establishing a model for ionic multi-species diffusion, which also accounts for external applied electrical fields, it is proposed that an important complement to the experimental tests and that verification...... with its ionic mobility properties. It is, further, assumed that Gauss’s law can be used to calculate the internal electrical field induced by the diffusion it self. In this manner the external electrical field applied can be modeled, simply, by assigning proper boundary conditions for the equation...

  10. Editorial: Modelling and computational challenges in granular materials

    NARCIS (Netherlands)

    Weinhart, Thomas; Thornton, Anthony Richard; Einav, Itai

    2015-01-01

    This is the editorial for the special issue on “Modelling and computational challenges in granular materials” in the journal on Computational Particle Mechanics (CPM). The issue aims to provide an opportunity for physicists, engineers, applied mathematicians and computational scientists to discuss

  11. Light Scatter in Optical Materials: Advanced Haze Modeling

    Science.gov (United States)

    2017-03-31

    contrast sensitivity with glare. This study measured angular scatter in the test articles , and showed that the cumulative (total) scatter beyond...Sample under laser illumination for angular scatter measurements ................................4  Figure 3: Scatter measurement system at a small...scatter effects image quality , visual performance and user acceptance. The purpose of the present effort was to develop a computational model that

  12. Experimental data available for radiation damage modelling in reactor materials

    International Nuclear Information System (INIS)

    Wollenberger, H.

    Radiation damage modelling requires rate constants for production, annihilation and trapping of defects. The literature is reviewed with respect to experimental determination of such constants. Useful quantitative information exists only for Cu and Al. Special emphasis is given to the temperature dependence of the rate constants

  13. Combinatory Models for Predicting the Effective Thermal Conductivity of Frozen and Unfrozen Food Materials

    OpenAIRE

    K. S. Reddy; P Karthikeyan

    2010-01-01

    A model to predict the effective thermal conductivity of heterogeneous materials is proposed based on unit cell approach. The model is combined with four fundamental effective thermal conductivity models (Parallel, Series, Maxwell-Eucken-I, and Maxwell-Eucken-II) to evolve a unifying equation for the estimation of effective thermal conductivity of porous and nonporous food materials. The effect of volume fraction (ν) on the structure composition factor (ψ) of the food materials is studied. Th...

  14. The use of physical model simulation to emulate an AGV material handling system

    International Nuclear Information System (INIS)

    Hurley, R.G.; Coffman, P.E.; Dixon, J.R.; Walacavage, J.G.

    1987-01-01

    This paper describes an application of physical modeling to the simulation of a prototype AGV (Automatic Guided Vehicle) material handling system. Physical modeling is the study of complex automated manufacturing and material handling systems through the use of small scale components controlled by mini and/or microcomputers. By modeling the mechanical operations of the proposed AGV material handling system, it was determined that control algorithms and AGV dispatch rules could be developed and evaluated. This paper presents a brief explanation of physical modeling as a simulation tool and addresses in detail the development of the control algorithm, dispatching rules, and a prototype physical model of a flexible machining system

  15. 3D modeling of surface quarries and deposits of mined materials and the monitoring of slopes

    Directory of Open Access Journals (Sweden)

    Ivan Maňas

    2007-06-01

    Full Text Available The application of computer technology by simulating opencast mining and deposits of raw materials. The mathematic principles of three-dimensional probabilistic models of raw materials deposits and a familiarization with the user interface software GEOLOGICKY MODEL. The principles of the simulation of opencast mines, generation intersections with models of raw materials deposits, computation of mining materials with the quality scaling,and the design of advanced mining with the software BANSKY MODEL.The monitoring the potential of dynamic movements’ of unstable slopes with the automatic total station and a following interpretation in general time intervals by means of the software MONITORING.

  16. Metal-Matrix Composites and Porous Materials: Constitute Models, Microstructure Evolution and Applications

    National Research Council Canada - National Science Library

    Castafieda, P

    2000-01-01

    Constitutive models were developed and implemented numerically to account for the evolution of microstructure and anisotropy in finite-deformation processes involving porous and composite materials...

  17. Comparison of the surface roughness of gypsum models constructed using various impression materials and gypsum products

    Directory of Open Access Journals (Sweden)

    Yi-Chih Chang

    2016-03-01

    Conclusion: The surface roughness of stone models was mainly determined by the type of alginate impression material, and was less affected by the type of silicone rubber impression material or gypsum product, or the storage time before repouring.

  18. Comparative studies on constitutive models for cohesive interface cracks of quasi-brittle materials

    International Nuclear Information System (INIS)

    Shen Xinpu; Shen Guoxiao; Zhou Lin

    2005-01-01

    In this paper, Concerning on the modelling of quasi-brittle fracture process zone at interface crack of quasi-brittle materials and structures, typical constitutive models of interface cracks were compared. Numerical calculations of the constitutive behaviours of selected models were carried out at local level. Aiming at the simulation of quasi-brittle fracture of concrete-like materials and structures, the emphases of the qualitative comparisons of selected cohesive models are focused on: (1) the fundamental mode I and mode II behaviours of selected models; (2) dilatancy properties of the selected models under mixed mode fracture loading conditions. (authors)

  19. Fires involving radioactive materials : transference model; operative recommendations

    International Nuclear Information System (INIS)

    Rodriguez, C.E.; Puntarulo, L.J.; Canibano, J.A.

    1988-01-01

    In all aspects related to the nuclear activity, the occurrence of an explosion, fire or burst type accident, with or without victims, is directly related to the characteristics of the site. The present work analyses the different parameters involved, describing a transference model and recommendations for evaluation and control of the radiological risk for firemen. Special emphasis is placed on the measurement of the variables existing in this kind of operations

  20. Combinatory Models for Predicting the Effective Thermal Conductivity of Frozen and Unfrozen Food Materials

    Directory of Open Access Journals (Sweden)

    K. S. Reddy

    2010-01-01

    Full Text Available A model to predict the effective thermal conductivity of heterogeneous materials is proposed based on unit cell approach. The model is combined with four fundamental effective thermal conductivity models (Parallel, Series, Maxwell-Eucken-I, and Maxwell-Eucken-II to evolve a unifying equation for the estimation of effective thermal conductivity of porous and nonporous food materials. The effect of volume fraction (ν on the structure composition factor (ψ of the food materials is studied. The models are compared with the experimental data of various foods at the initial freezing temperature. The effective thermal conductivity estimated by the Maxwell-Eucken-I + Present model shows good agreement with the experimental data with a minimum average deviation of ±8.66% and maximum deviation of ±42.76% of Series + Present Model. The combined models have advantages over other empirical and semiempirical models.

  1. Multiscale paradigms in integrated computational materials science and engineering materials theory, modeling, and simulation for predictive design

    CERN Document Server

    Runge, Keith; Muralidharan, Krishna

    2016-01-01

    This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.

  2. Activity measurement and effective dose modelling of natural radionuclides in building material

    International Nuclear Information System (INIS)

    Maringer, F.J.; Baumgartner, A.; Rechberger, F.; Seidel, C.; Stietka, M.

    2013-01-01

    In this paper the assessment of natural radionuclides' activity concentration in building materials, calibration requirements and related indoor exposure dose models is presented. Particular attention is turned to specific improvements in low-level gamma-ray spectrometry to determine the activity concentration of necessary natural radionuclides in building materials with adequate measurement uncertainties. Different approaches for the modelling of the effective dose indoor due to external radiation resulted from natural radionuclides in building material and results of actual building material assessments are shown. - Highlights: • Dose models for indoor radiation exposure due to natural radionuclides in building materials. • Strategies and methods in radionuclide metrology, activity measurement and dose modelling. • Selection of appropriate parameters in radiation protection standards for building materials. • Scientific-based limitations of indoor exposure due to natural radionuclides in building materials

  3. PGD-based modeling of materials, structures and processes

    CERN Document Server

    Chinesta, Francisco

    2014-01-01

    This book focuses on the development of a new simulation paradigm allowing for the solution of models that up to now have never been resolved and which result in spectacular CPU time savings (in the order of millions) that, combined with supercomputing, could revolutionize future ICT (information and communication technologies) at the heart of science and technology. The authors have recently proposed a new paradigm for simulation-based engineering sciences called Proper Generalized Decomposition, PGD, which has proved a tremendous potential in many aspects of forming process simulation. In this book a review of the basics of the technique is made, together with different examples of application.

  4. Modeling concrete under severe conditions as a multiphase material

    Energy Technology Data Exchange (ETDEWEB)

    Dal Pont, S., E-mail: dalpont@lcpc.f [Division Betons et Composites Cimentaires, BCC-LCPC, 58 Bd.Lefebvre 75738 Paris cedex 15 (France); Meftah, F. [Laboratoire Mecanique et Materiaux du Genie Civil, Universite Cergy-Pontoise, 5 mail Gay Lussac, Neuville-sur-Oise, 95031 Cergy-Pontoise Cedex (France); Schrefler, B.A. [Dipartimento di Costruzioni e Trasporti, Universita di Padova, via Marzolo 9, 35131 Padova (Italy)

    2011-03-15

    The description as well as the prediction of the behavior of concrete under severe high temperature-pressure loading such as those typical of a loss-of-coolant accidental scenario considered for PWR containment buildings, matter in the study of such engineering applications and are also of interest in other fields such as safety evaluations during fire. The purpose of this paper is to present a flexible staggered finite element thermo-hygral model and then to use it as a numerical tool to determine the temperature and gas pressure fields that develop in concrete when heated.

  5. Application of an improved model for the identification of material parameters

    DEFF Research Database (Denmark)

    Frederiksen, Per S.

    1997-01-01

    Elastic material constants of thick plates can be identified by combining a range of measured natural frequencies with an accurate numerical model for the theoretical predictions. To deal with thick plates, a model that takes transverse shear effects into account is necessary. Since modeling errors...... affect the estimates in a systematic way, an accurate numerical model is of primary importance. Compared to a model used previously, an improved more accurate plate model is studied here for the purpose of identification. This new advanced model is used to assess the systematic errors...

  6. Modelling the power losses in the ferromagnetic materials

    Directory of Open Access Journals (Sweden)

    Detka Kalina

    2017-07-01

    Full Text Available In this paper, the problem of describing power losses in ferromagnetic materials is considered. The limitations of Steinmetz formula are shown and a new analytical description of losses in a considered material is proposed. The correctness of the developed description is demonstrated experimentally by comparing the results of calculation with the catalogue characteristics for different ferromagnetic materials.

  7. Laser cutting of laminated sheet material: a modeling exercise

    NARCIS (Netherlands)

    de Graaf, R.F.; Meijer, J.

    1997-01-01

    Laser cutting has been investigated for a number of aluminum-synthetic laminates, newly developed materials for the aeronautic and automotive industry. The materials consist of alternating aluminum and synthetic layers. It is shown that these materials can be cut at rates comparable to those of

  8. Material model for non-linear finite element analyses of large concrete structures

    NARCIS (Netherlands)

    Engen, Morten; Hendriks, M.A.N.; Øverli, Jan Arve; Åldstedt, Erik; Beushausen, H.

    2016-01-01

    A fully triaxial material model for concrete was implemented in a commercial finite element code. The only required input parameter was the cylinder compressive strength. The material model was suitable for non-linear finite element analyses of large concrete structures. The importance of including

  9. 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

  10. Constitutive modeling of two phase materials using the Mean Field method for homogenization

    NARCIS (Netherlands)

    Perdahcioglu, Emin Semih; Geijselaers, Hubertus J.M.

    2010-01-01

    A Mean-Field homogenization framework for constitutive modeling of materials involving two distinct elastic-plastic phases is presented. With this approach it is possible to compute the macroscopic mechanical behavior of this type of materials based on the constitutive models of the constituent

  11. Predictive Simulation of Material Failure Using Peridynamics -- Advanced Constitutive Modeling, Verification and Validation

    Science.gov (United States)

    2016-03-31

    AFRL-AFOSR-VA-TR-2016-0309 Predictive simulation of material failure using peridynamics- advanced constitutive modeling, verification , and validation... Self -explanatory. 8. PERFORMING ORGANIZATION REPORT NUMBER. Enter all unique alphanumeric report numbers assigned by the performing organization, e.g...for public release. Predictive simulation of material failure using peridynamics-advanced constitutive modeling, verification , and validation John T

  12. A feedback-based model for CSR assessment and materiality analysis

    DEFF Research Database (Denmark)

    Calabrese, Armando; Costa, Roberta; Rosati, Francesco

    2015-01-01

    of three aspects of CSR commitment (disclosed, perceived and expected). Although the paper is focused on customers, the model can be applied indifferently to any stakeholder group, thus providing a valuable instrument for materiality analysis and stakeholder engagement. In effect, the model allows...... identifying material CSR issues regarding all stakeholder perceptions and expectations...

  13. Modeling of radionuclide migration through porous material with meshless method

    International Nuclear Information System (INIS)

    Vrankar, L.; Turk, G.; Runovc, F.

    2005-01-01

    To assess the long term safety of a radioactive waste disposal system, mathematical models are used to describe groundwater flow, chemistry and potential radionuclide migration through geological formations. A number of processes need to be considered when predicting the movement of radionuclides through the geosphere. The most important input data are obtained from field measurements, which are not completely available for all regions of interest. For example, the hydraulic conductivity as an input parameter varies from place to place. In such cases geostatistical science offers a variety of spatial estimation procedures. Methods for solving the solute transport equation can also be classified as Eulerian, Lagrangian and mixed. The numerical solution of partial differential equations (PDE) is usually obtained by finite difference methods (FDM), finite element methods (FEM), or finite volume methods (FVM). Kansa introduced the concept of solving partial differential equations using radial basis functions (RBF) for hyperbolic, parabolic and elliptic PDEs. Our goal was to present a relatively new approach to the modelling of radionuclide migration through the geosphere using radial basis function methods in Eulerian and Lagrangian coordinates. Radionuclide concentrations will also be calculated in heterogeneous and partly heterogeneous 2D porous media. We compared the meshless method with the traditional finite difference scheme. (author)

  14. Identification Damage Model for Thermomechanical Degradation of Ductile Heterogeneous Materials

    Science.gov (United States)

    Amri, A. El; Yakhloufi, M. H. El; Khamlichi, A.

    2017-05-01

    The failure of ductile materials subject to high thermal and mechanical loading rates is notably affected by material inertia. The mechanisms of fatigue-crack propagation are examined with particular emphasis on the similarities and differences between cyclic crack growth in ductile materials, such as metals, and corresponding behavior in brittle materials, such as intermetallic and ceramics. Numerical simulations of crack propagation in a cylindrical specimen demonstrate that the proposed method provides an effective means to simulate ductile fracture in large scale cylindrical structures with engineering accuracy. The influence of damage on the intensity of the destruction of materials is studied as well.

  15. A sectionwise defined model for the material description of 100Cr6 in the thixotropic state

    Science.gov (United States)

    Behrens, B.-A.; Chugreev, A.; Hootak, M.

    2018-05-01

    A sectionwise defined material model has been developed for the numerical description of thixoforming processes. It consists of two sections. The first one describes the material behaviour below the solidus temperature and comprises an approach from structure mechanics, whereas the second section model describes the thixotropic behaviour above the solidus temperature based on the Ostwald-de Waele power law. The material model has been implemented in a commercial FE software Simufact Forming by means of user-defined subroutines. Numerical and experimental investigations of special upsetting tests have been designed and carried out with Armco iron-coated specimens. Finally, the model parameters were fitted by reverse engineering.

  16. Model for movement of molten limiter material during the ISX-B beryllium limiter experiment

    International Nuclear Information System (INIS)

    Langley, R.A.; England, A.C.; Edmonds, P.H.; Hogan, J.T.; Neilson, G.H.

    1986-01-01

    A model is proposed for the movement and erosion of limiter material during the Beryllium Limiter Experiment performed on the ISX-B Tokamak. This model is consistent with observed experimental results and plasma operational characteristics. Conclusions drawn from the model can provide an understanding of erosion mechanisms, thereby contributing to the development of future design criteria. (author)

  17. Digital Materials - Evaluation of the Possibilities of using Selected Hyperelastic Models to Describe Constitutive Relations

    Science.gov (United States)

    Mańkowski, J.; Lipnicki, J.

    2017-08-01

    The authors tried to identify the parameters of numerical models of digital materials, which are a kind of composite resulting from the manufacture of the product in 3D printers. With the arrangement of several heads of the printer, the new material can result from mixing of materials with radically different properties, during the process of producing single layer of the product. The new material has properties dependent on the base materials properties and their proportions. Digital materials tensile characteristics are often non-linear and qualify to be described by hyperelastic materials models. The identification was conducted based on the results of tensile tests models, its various degrees coefficients of the polynomials to various degrees coefficients of the polynomials. The Drucker's stability criterion was also examined. Fourteen different materials were analyzed.

  18. Digital Materials – Evaluation of the Possibilities of using Selected Hyperelastic Models to Describe Constitutive Relations

    Directory of Open Access Journals (Sweden)

    Mańkowski J.

    2017-08-01

    Full Text Available The authors tried to identify the parameters of numerical models of digital materials, which are a kind of composite resulting from the manufacture of the product in 3D printers. With the arrangement of several heads of the printer, the new material can result from mixing of materials with radically different properties, during the process of producing single layer of the product. The new material has properties dependent on the base materials properties and their proportions. Digital materials tensile characteristics are often non-linear and qualify to be described by hyperelastic materials models. The identification was conducted based on the results of tensile tests models, its various degrees coefficients of the polynomials to various degrees coefficients of the polynomials. The Drucker’s stability criterion was also examined. Fourteen different materials were analyzed.

  19. Modeling the Creep of Rib-Reinforced Composite Media Made from Nonlinear Hereditary Phase Materials 2. Verification of the Model

    Science.gov (United States)

    Yankovskii, A. P.

    2015-05-01

    An indirect verification of a structural model describing the creep of a composite medium reinforced by honeycombs and made of nonlinear hereditary phase materials obeying the Rabotnov theory of creep is presented. It is shown that the structural model proposed is trustworthy and can be used in practical calculations. For different kinds of loading, creep curves for a honeycomb core made of a D16T aluminum alloy are calculated.

  20. The design and modeling of periodic materials with novel properties

    Science.gov (United States)

    Berger, Jonathan Bernard

    Cellular materials are ubiquitous in our world being found in natural and engineered systems as structural materials, sound and energy absorbers, heat insulators and more. Stochastic foams made of polymers, metals and even ceramics find wide use due to their novel properties when compared to monolithic materials. Properties of these so called hybrid materials, those that combine materials or materials and space, are derived from the localization of thermomechanical stresses and strains on the mesoscale as a function of cell topology. The effects of localization can only be generalized in stochastic materials arising from their inherent potential complexity, possessing variations in local chemistry, microstructural inhomogeneity and topological variations. Ordered cellular materials on the other hand, such as lattices and honeycombs, make for much easier study, often requiring analysis of only a single unit-cell. Theoretical bounds predict that hybrid materials have the potential to push design envelopes offering lighter stiffer and stronger materials. Hybrid materials can achieve very low and even negative coefficients of thermal expansion (CTE) while retaining a relatively high stiffness -- properties completely unmatched by monolithic materials. In the first chapter of this thesis a two-dimensional lattice is detailed that possess near maximum stiffness, relative to the tightest theoretical bound, and low, zero and even appreciably negative thermal expansion. Its CTE and stiffness are given in closed form as a function of geometric parameters and the material properties. This result is confirmed with finite elements (FE) and experiment. In the second chapter the compressive stiffness of three-dimensional ordered foams, both closed and open cell, are predicted with FE and the results placed in property space in terms of stiffness and density. A novel structure is identified that effectively achieves theoretical bounds for Young's, shear and bulk modulus

  1. Theory and learning protocols for the material tempotron model

    International Nuclear Information System (INIS)

    Baldassi, Carlo; Braunstein, Alfredo; Zecchina, Riccardo

    2013-01-01

    Neural networks are able to extract information from the timing of spikes. Here we provide new results on the behavior of the simplest neuronal model which is able to decode information embedded in temporal spike patterns, the so-called tempotron. Using statistical physics techniques we compute the capacity for the case of sparse, time-discretized input, and ‘material’ discrete synapses, showing that the device saturates the information theoretic bounds with a statistics of output spikes that is consistent with the statistics of the inputs. We also derive two simple and highly efficient learning algorithms which are able to learn a number of associations which are close to the theoretical limit. The simplest versions of these algorithms correspond to distributed online protocols of interest for neuromorphic devices, and can be adapted to address the more biologically relevant continuous-time version of the classification problem, hopefully allowing the understanding of some aspects of synaptic plasticity. (paper)

  2. Petri Net-Based R&D Process Modeling and Optimization for Composite Materials

    Directory of Open Access Journals (Sweden)

    Xiaomei Hu

    2013-01-01

    Full Text Available Considering the current R&D process for new composite materials involves some complex details, such as formula design, specimen/sample production, materials/sample test, assessment, materials/sample feedback from customers, and mass production, the workflow model of Petri net-based R&D process for new composite materials’ is proposed. By analyzing the time property of the whole Petri net, the optimized model for new composite materials R&D workflow is further proposed. By analyzing the experiment data and application in some materials R&D enterprise, it is demonstrated that the workflow optimization model shortens the period of R&D on new materials for 15%, definitely improving the R&D efficiency. This indicates the feasibility and availability of the model.

  3. Large deformation analysis of adhesive by Eulerian method with new material model

    International Nuclear Information System (INIS)

    Maeda, K; Nishiguchi, K; Iwamoto, T; Okazawa, S

    2010-01-01

    The material model to describe large deformation of a pressure sensitive adhesive (PSA) is presented. A relationship between stress and strain of PSA includes viscoelasticity and rubber-elasticity. Therefore, we propose the material model for describing viscoelasticity and rubber-elasticity, and extend the presented material model to the rate form for three dimensional finite element analysis. After proposing the material model for PSA, we formulate the Eulerian method to simulate large deformation behavior. In the Eulerian calculation, the Piecewise Linear Interface Calculation (PLIC) method for capturing material surface is employed. By using PLIC method, we can impose dynamic and kinematic boundary conditions on captured material surface. The representative two computational examples are calculated to check validity of the present methods.

  4. Presentation on the Modeling and Educational Demonstrations Laboratory Curriculum Materials Center (MEDL-CMC): A Working Model and Progress Report

    Science.gov (United States)

    Glesener, G. B.; Vican, L.

    2015-12-01

    Physical analog models and demonstrations can be effective educational tools for helping instructors teach abstract concepts in the Earth, planetary, and space sciences. Reducing the learning challenges for students using physical analog models and demonstrations, however, can often increase instructors' workload and budget because the cost and time needed to produce and maintain such curriculum materials is substantial. First, this presentation describes a working model for the Modeling and Educational Demonstrations Laboratory Curriculum Materials Center (MEDL-CMC) to support instructors' use of physical analog models and demonstrations in the science classroom. The working model is based on a combination of instructional resource models developed by the Association of College & Research Libraries and by the Physics Instructional Resource Association. The MEDL-CMC aims to make the curriculum materials available for all science courses and outreach programs within the institution where the MEDL-CMC resides. The sustainability and value of the MEDL-CMC comes from its ability to provide and maintain a variety of physical analog models and demonstrations in a wide range of science disciplines. Second, the presentation then reports on the development, progress, and future of the MEDL-CMC at the University of California Los Angeles (UCLA). Development of the UCLA MEDL-CMC was funded by a grant from UCLA's Office of Instructional Development and is supported by the Department of Earth, Planetary, and Space Sciences. Other UCLA science departments have recently shown interest in the UCLA MEDL-CMC services, and therefore, preparations are currently underway to increase our capacity for providing interdepartmental service. The presentation concludes with recommendations and suggestions for other institutions that wish to start their own MEDL-CMC in order to increase educational effectiveness and decrease instructor workload. We welcome an interuniversity collaboration to

  5. SCDAP/RELAP5 Modeling of Movement of Melted Material Through Porous Debris in Lower Head

    International Nuclear Information System (INIS)

    Siefken, L. J.

    1998-01-01

    Designs are described for implementing models for calculating the movement of melted material through the interstices in a matrix of porous debris in the lower head of a reactor vessel. The COUPLE model in SCDAP/RELAP5 represents both the porous and nonporous debris that results from core material slumping into the lower head during a severe accident in a Light Water Reactor. Currently, the COUPLE model has no capability to model the movement of material that melts within a matrix of porous material. The COUPLE model also does not have the capability to model the movement of liquefied core plate material that slumps onto a porous debris bed in the lower head. In order to advance beyond the assumption the liquefied material always remains stationary, designs are developed for calculations of the movement of liquefied material through the interstices in a matrix of porous material. Correlations are identified for calculating the permeability of the porous debris and for calculating the rate of flow of liquefied material through the interstices in the debris bed. Correlations are also identified for calculating the relocation of solid debris that has a large amount of cavities due to the flowing away of melted material. Equations are defined for calculating the effect on the temperature distribution in the debris bed of heat transported by moving material and for changes in effective thermal conductivity and heat capacity due to the movement of material. The implementation of these models is expected to improve the calculation of the material distribution and temperature distribution of debris in the lower head for cases in which the debris is porous and liquefied material is present within the porous debris

  6. Theoretical Development of an Orthotropic Elasto-Plastic Generalized Composite Material Model

    Science.gov (United States)

    Goldberg, Robert; Carney, Kelly; DuBois, Paul; Hoffarth, Canio; Harrington, Joseph; Rajan, Subramaniam; Blankenhorn, Gunther

    2014-01-01

    The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within LSDYNA (Livermore Software Technology Corporation), there are several features that have been identified that could improve the predictive capability of a composite model. To address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed and is being implemented into LS-DYNA as MAT_213. A key feature of the improved material model is the use of tabulated stress-strain data in a variety of coordinate directions to fully define the stress-strain response of the material. To date, the model development efforts have focused on creating the plasticity portion of the model. The Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic yield function with a nonassociative flow rule. The coefficients of the yield function, and the stresses to be used in both the yield function and the flow rule, are computed based on the input stress-strain curves using the effective plastic strain as the tracking variable. The coefficients in the flow rule are computed based on the obtained stress-strain data. The developed material model is suitable for implementation within LS-DYNA for use in analyzing the nonlinear response of polymer composites.

  7. Rheological and physical characteristics of crustal-scaled materials for centrifuge analogue modelling

    Science.gov (United States)

    Waffle, Lindsay; Godin, Laurent; Harris, Lyal B.; Kontopoulou, M.

    2016-05-01

    We characterize a set of analogue materials used for centrifuge analogue modelling simulating deformation at different levels in the crust simultaneously. Specifically, we improve the rheological characterization in the linear viscoelastic region of materials for the lower and middle crust, and cohesive synthetic sands without petroleum-binding agents for the upper crust. Viscoelastic materials used in centrifuge analogue modelling demonstrate complex dynamic behaviour, so viscosity alone is insufficient to determine if a material will be an effective analogue. Two series of experiments were conducted using an oscillating bi-conical plate rheometer to measure the storage and loss moduli and complex viscosities of several modelling clays and silicone putties. Tested materials exhibited viscoelastic and shear-thinning behaviour. The silicone putties and some modelling clays demonstrated viscous-dominant behaviour and reached Newtonian plateaus at strain rates clays demonstrated elastic-dominant power-law relationships. Based on these results, the elastic-dominant modelling clay is recommended as an analogue for basement cratons. Inherently cohesive synthetic sands produce fine-detailed fault and fracture patterns, and developed thrust, strike-slip, and extensional faults in simple centrifuge test models. These synthetic sands are recommended as analogues for the brittle upper crust. These new results increase the accuracy of scaling analogue models to prototype. Additionally, with the characterization of three new materials, we propose a complete lithospheric profile of analogue materials for centrifuge modelling, allowing future studies to replicate a broader range of crustal deformation behaviours.

  8. Design, Fabrication, Characterization and Modeling of Integrated Functional Materials

    Science.gov (United States)

    2015-12-01

    activities is expected to lead to new devices/ systems /composite materials useful for the USAMRMC. 15. SUBJECT TERMS Functional materials, integrated...fabrication, nanobiotechnology, multifunctional, dimensional integration, nanocomposites, sensor technology, thermoelectrics, solar cells, photovoltaics ...loop measured in the presence of an AC field, and can be increased by tuning several parameters, such as the nanoparticles’ size , saturation

  9. Vibro-acoustics of porous materials - waveguide modeling approach

    DEFF Research Database (Denmark)

    Darula, Radoslav; Sorokin, Sergey V.

    2016-01-01

    The porous material is considered as a compound multi-layered waveguide (i.e. a fluid layer surrounded with elastic layers) with traction free boundary conditions. The attenuation of the vibro-acoustic waves in such a material is assessed. This approach is compared with a conventional Biot's mode...

  10. 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

  11. Materials aging: first predictive modeling of iron under irradiation

    International Nuclear Information System (INIS)

    Anon.

    2005-01-01

    Researchers from the CEA-Bruyeres-le-Chatel have been able to quantitatively foresee for the very first time the evolution of irradiation defects inside a structural material. Their results, obtained with iron, will contribute to better understand the aging of the materials of today's nuclear power plants and of future nuclear systems. Short paper. (J.S.)

  12. Polymeric Materials Models in the Warrior Injury Assessment Manikin (WIAMan) Anthropomorphic Test Device (ATD) Tech Demonstrator

    Science.gov (United States)

    2017-01-01

    analytical model currently used by military vehicle analysts has been continuously updated to address the model’s inherent deficiencies and make the... model is a hyperelastic polymer model based upon statistical mechanics and the finite extensibility of a polymer chain.23 Its rheological ...ARL-TR-7927 ● JAN 2017 US Army Research Laboratory Polymeric Materials Models in the Warrior Injury Assessment Manikin (WIAMan

  13. Multiscale Modeling of Hydrogen Embrittlement for Multiphase Material

    KAUST Repository

    Al-Jabr, Khalid A.

    2014-01-01

    Hydrogen Embrittlement (HE) is a very common failure mechanism induced crack propagation in materials that are utilized in oil and gas industry structural components and equipment. Considering the prediction of HE behavior, which is suggested

  14. A model development for a thermohydraulic calculation material convection of MTR (Materials Testing Reactors)

    International Nuclear Information System (INIS)

    Abbate, P.

    1990-01-01

    The CONVEC program developed for the thermohydraulic calculation under a natural convection regime for MTR type reactors is presented. The program is based on a stationary, one dimensional model of finite differences that allow to calculate the temperatures of cooler, cladding and fuel as well as the flow for a power level specified by the user. This model has been satisfactorily validated by a water cooling (liquid phase) and air system. (Author) [es

  15. Revisa milestones report. Task 2.1: development of material models

    International Nuclear Information System (INIS)

    Nicolas, L.

    1998-01-01

    This report is the CEA contribution to the Milestone report of the REVISA project (Task 2.1). This task is particularly devoted to the development of advanced material models. CEA uses two different constitutive concepts. The first model is a coupled damage-visco-plasticity model proposed by Lemaitre and Chaboche. The second model is a non unified visco-plasticity model proposed by Contesti and Cailletaud, where the classical decomposition of the total inelastic strain into a time independent plastic part and a time dependent creep part is assumed. The introduction of isotropic damage in this model is part of the developments presented in this report. (author)

  16. A FEM Modeling of the Concrete Pavement Made of the Recycling Material

    Directory of Open Access Journals (Sweden)

    Šešlija Miloš

    2016-01-01

    Full Text Available Paper is a brief review of the research focused on formulation an numerical model for the concrete pavement which is made by the recycling material. For numerical modeling the finite element model (FEM and the 3D finite element model were applied. The software EverFE 2.25, was used. The results of FEM analysis is in a chapter shape showing move value change, strees and deflections for all layers a construction road model. In the next phase of the research was provided by FEM software with appropriate general purpose non-linear models, which allows the analysis of the real behavior of solid pavement under load.

  17. A sharp interface model for void growth in irradiated materials

    Science.gov (United States)

    Hochrainer, Thomas; El-Azab, Anter

    2015-03-01

    A thermodynamic formalism for the interaction of point defects with free surfaces in single-component solids has been developed and applied to the problem of void growth by absorption of point defects in irradiated metals. This formalism consists of two parts, a detailed description of the dynamics of defects within the non-equilibrium thermodynamic frame, and the application of the second law of thermodynamics to provide closure relations for all kinetic equations. Enforcing the principle of non-negative entropy production showed that the description of the problem of void evolution under irradiation must include a relationship between the normal fluxes of defects into the void surface and the driving thermodynamic forces for the void surface motion; these thermodynamic forces are identified for both vacancies and interstitials and the relationships between these forces and the normal point defect fluxes are established using the concepts of transition state theory. The latter theory implies that the defect accommodation into the surface is a thermally activated process. Numerical examples are given to illustrate void growth dynamics in this new formalism and to investigate the effect of the surface energy barriers on void growth. Consequences for phase field models of void growth are discussed.

  18. ITER transient consequences for material damage: modelling versus experiments

    International Nuclear Information System (INIS)

    Bazylev, B; Janeschitz, G; Landman, I; Pestchanyi, S; Loarte, A; Federici, G; Merola, M; Linke, J; Zhitlukhin, A; Podkovyrov, V; Klimov, N; Safronov, V

    2007-01-01

    Carbon-fibre composite (CFC) and tungsten macrobrush armours are foreseen as PFC for the ITER divertor. In ITER the main mechanisms of metallic armour damage remain surface melting and melt motion erosion. In the case of CFC armour, due to rather different heat conductivities of CFC fibres a noticeable erosion of the PAN bundles may occur at rather small heat loads. Experiments carried out in the plasma gun facilities QSPA-T for the ITER like edge localized mode (ELM) heat load also demonstrated significant erosion of the frontal and lateral brush edges. Numerical simulations of the CFC and tungsten (W) macrobrush target damage accounting for the heat loads at the face and lateral brush edges were carried out for QSPA-T conditions using the three-dimensional (3D) code PHEMOBRID. The modelling results of CFC damage are in a good qualitative and quantitative agreement with the experiments. Estimation of the droplet splashing caused by the Kelvin-Helmholtz (KH) instability was performed

  19. Fast three-material modeling with triple arch projection for electronic cleansing in CTC.

    Science.gov (United States)

    Lee, Hyunna; Lee, Jeongjin; Kim, Bohyoung; Kim, Se Hyung; Shin, Yeong-Gil

    2014-07-01

    In this paper, we propose a fast three-material modeling for electronic cleansing (EC) in computed tomographic colonography. Using a triple arch projection, our three-material modeling provides a very quick estimate of the three-material fractions to remove ridge-shaped artifacts at the T-junctions where air, soft-tissue (ST), and tagged residues (TRs) meet simultaneously. In our approach, colonic components including air, TR, the layer between air and TR, the layer between ST and TR (L(ST/TR)), and the T-junction are first segmented. Subsequently, the material fraction of ST for each voxel in L(ST/TR) and the T-junction is determined. Two-material fractions of the voxels in L(ST/TR) are derived based on a two-material transition model. On the other hand, three-material fractions of the voxels in the T-junction are estimated based on our fast three-material modeling with triple arch projection. Finally, the CT density value of each voxel is updated based on our fold-preserving reconstruction model. Experimental results using ten clinical datasets demonstrate that the proposed three-material modeling successfully removed the T-junction artifacts and clearly reconstructed the whole colon surface while preserving the submerged folds well. Furthermore, compared with the previous three-material transition model, the proposed three-material modeling resulted in about a five-fold increase in speed with the better preservation of submerged folds and the similar level of cleansing quality in T-junction regions.

  20. Transferable tight-binding model for strained group IV and III-V materials and heterostructures

    Science.gov (United States)

    Tan, Yaohua; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy B.; Klimeck, Gerhard

    2016-07-01

    It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduce a transferable s p3d5s* tight-binding model with nearest-neighbor interactions for arbitrarily strained group IV and III-V materials. The tight-binding model is parametrized with respect to hybrid functional (HSE06) calculations for varieties of strained systems. The tight-binding calculations of ultrasmall superlattices formed by group IV and group III-V materials show good agreement with the corresponding HSE06 calculations. The application of the tight-binding model to superlattices demonstrates that the transferable tight-binding model with nearest-neighbor interactions can be obtained for group IV and III-V materials.

  1. Effect of material property heterogeneity on biomechanical modeling of prostate under deformation

    International Nuclear Information System (INIS)

    Samavati, Navid; McGrath, Deirdre M; Ménard, Cynthia; Jewett, Michael A S; Van der Kwast, Theo; Brock, Kristy K

    2015-01-01

    Biomechanical model based deformable image registration has been widely used to account for prostate deformation in various medical imaging procedures. Biomechanical material properties are important components of a biomechanical model. In this study, the effect of incorporating tumor-specific material properties in the prostate biomechanical model was investigated to provide insight into the potential impact of material heterogeneity on the prostate deformation calculations. First, a simple spherical prostate and tumor model was used to analytically describe the deformations and demonstrate the fundamental effect of changes in the tumor volume and stiffness in the modeled deformation. Next, using a clinical prostate model, a parametric approach was used to describe the variations in the heterogeneous prostate model by changing tumor volume, stiffness, and location, to show the differences in the modeled deformation between heterogeneous and homogeneous prostate models. Finally, five clinical prostatectomy examples were used in separately performed homogeneous and heterogeneous biomechanical model based registrations to describe the deformations between 3D reconstructed histopathology images and ex vivo magnetic resonance imaging, and examine the potential clinical impact of modeling biomechanical heterogeneity of the prostate. The analytical formulation showed that increasing the tumor volume and stiffness could significantly increase the impact of the heterogeneous prostate model in the calculated displacement differences compared to the homogeneous model. The parametric approach using a single prostate model indicated up to 4.8 mm of displacement difference at the tumor boundary compared to a homogeneous model. Such differences in the deformation of the prostate could be potentially clinically significant given the voxel size of the ex vivo MR images (0.3  ×  0.3  ×  0.3 mm). However, no significant changes in the registration accuracy were

  2. A diffusivity model for predicting VOC diffusion in porous building materials based on fractal theory

    International Nuclear Information System (INIS)

    Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping

    2015-01-01

    Highlights: • Fractal theory is introduced into the prediction of VOC diffusion coefficient. • MSFC model of the diffusion coefficient is developed for porous building materials. • The MSFC model contains detailed pore structure parameters. • The accuracy of the MSFC model is verified by independent experiments. - Abstract: Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber.

  3. Modeling of Slot Waveguide Sensors Based on Polymeric Materials

    Science.gov (United States)

    Bettotti, Paolo; Pitanti, Alessandro; Rigo, Eveline; De Leonardis, Francesco; Passaro, Vittorio M. N.; Pavesi, Lorenzo

    2011-01-01

    Slot waveguides are very promising for optical sensing applications because of their peculiar spatial mode profile. In this paper we have carried out a detailed analysis of mode confinement properties in slot waveguides realized in very low refractive index materials. We show that the sensitivity of a slot waveguide is not directly related to the refractive index contrast of high and low materials forming the waveguide. Thus, a careful design of the structures allows the realization of high sensitivity devices even in very low refractive index materials (e.g., polymers) to be achieved. Advantages of low index dielectrics in terms of cost, functionalization and ease of fabrication are discussed while keeping both CMOS compatibility and integrable design schemes. Finally, applications of low index slot waveguides as substitute of bulky fiber capillary sensors or in ring resonator architectures are addressed. Theoretical results of this work are relevant to well established polymer technologies. PMID:22164020

  4. Modeling of Slot Waveguide Sensors Based on Polymeric Materials

    Directory of Open Access Journals (Sweden)

    Lorenzo Pavesi

    2011-07-01

    Full Text Available Slot waveguides are very promising for optical sensing applications because of their peculiar spatial mode profile. In this paper we have carried out a detailed analysis of mode confinement properties in slot waveguides realized in very low refractive index materials. We show that the sensitivity of a slot waveguide is not directly related to the refractive index contrast of high and low materials forming the waveguide. Thus, a careful design of the structures allows the realization of high sensitivity devices even in very low refractive index materials (e.g., polymers to be achieved. Advantages of low index dielectrics in terms of cost, functionalization and ease of fabrication are discussed while keeping both CMOS compatibility and integrable design schemes. Finally, applications of low index slot waveguides as substitute of bulky fiber capillary sensors or in ring resonator architectures are addressed. Theoretical results of this work are relevant to well established polymer technologies.

  5. Verification and Validation of a Three-Dimensional Generalized Composite Material Model

    Science.gov (United States)

    Hoffarth, Canio; Harrington, Joseph; Rajan, Subramaniam D.; Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Blankenhorn, Gunther

    2015-01-01

    A general purpose orthotropic elasto-plastic computational constitutive material model has been developed to improve predictions of the response of composites subjected to high velocity impact. The three-dimensional orthotropic elasto-plastic composite material model is being implemented initially for solid elements in LS-DYNA as MAT213. In order to accurately represent the response of a composite, experimental stress-strain curves are utilized as input, allowing for a more general material model that can be used on a variety of composite applications. The theoretical details are discussed in a companion paper. This paper documents the implementation, verification and qualitative validation of the material model using the T800-F3900 fiber/resin composite material

  6. Modeling and simulation of plasma materials processing devices

    International Nuclear Information System (INIS)

    Graves, D.B.

    1996-01-01

    Plasma processing has emerged as a central technology in the manufacture of integrated circuits (ICs) and related industries. These plasmas are weakly to partially ionized gases, typically operated at a few to several hundred mTorr gas pressure, with neutral temperatures ranging from room temperature to 500 degrees K. Electron mean energies are typically a few eV and ion energies in the bulk plasma are about 0.05-0.5 eV. Positive ions axe accelerated in the sheaths to impact surfaces with energies ranging from about 10 eV to hundreds of eV. These energetic ions profoundly affect rates of surface chemical reactions. One of the consequences of the recent rapid growth in the IC industry has been a greater focus on manufacturing productivity. The capital costs of equipment that is used in manufacturing IC's has become a large fraction of the ∼ $1 billion cost of building a wafer fab. There is now a strong economic incentive to develop workstation-based simulations of plasma chemical reactors in order to design, optimize and control plasma reactors. I will summarize efforts to develop such models, including electromagnetic coupling, and transport and kinetics of charged and neutral species. Length and time scale disparities in the plasma tool challenge current simulation approaches, and I will address strategies to attack aspects of this problem. In addition, I will present some of our recent efforts to exploit molecular dynamics simulations employing empirical potentials to get hints about qualitative mechanisms and ideas on how to formulate rate expressions for plasma-surface chemical processes. Video illustrations of selected sets of ion trajectories impacting near-surface regions of the substrate will be presented

  7. Modelling dust liberation in bulk material handling systems

    NARCIS (Netherlands)

    Derakhshani, S.M.

    2016-01-01

    Dust has negative effects on the environmental conditions, human health as well as industrial equipment and processes. In this thesis, the transfer point of a belt conveyor as a bulk material handling system with a very high potential place for dust liberation is studied. This study is conducted

  8. Multi-scale modeling strategies in materials science

    Indian Academy of Sciences (India)

    The problem of prediction of finite temperature properties of materials poses great computational challenges. The computational treatment of the multitude of length and time scales involved in determining macroscopic properties has been attempted by several workers with varying degrees of success. This paper will review ...

  9. Modeling combined tension-shear failure of ductile materials

    International Nuclear Information System (INIS)

    Partom, Y

    2014-01-01

    Failure of ductile materials is usually expressed in terms of effective plastic strain. Ductile materials can fail by two different failure modes, shear failure and tensile failure. Under dynamic loading shear failure has to do with shear localization and formation of adiabatic shear bands. In these bands plastic strain rate is very high, dissipative heating is extensive, and shear strength is lost. Shear localization starts at a certain value of effective plastic strain, when thermal softening overcomes strain hardening. Shear failure is therefore represented in terms of effective plastic strain. On the other hand, tensile failure comes about by void growth under tension. For voids in a tension field there is a threshold state of the remote field for which voids grow spontaneously (cavitation), and the material there fails. Cavitation depends on the remote field stress components and on the flow stress. In this way failure in tension is related to shear strength and to failure in shear. Here we first evaluate the cavitation threshold for different remote field situations, using 2D numerical simulations with a hydro code. We then use the results to compute examples of rate dependent tension-shear failure of a ductile material.

  10. Modern plastic solar cells : materials, mechanisms and modeling

    NARCIS (Netherlands)

    Chiechi, Ryan C.; Havenith, Remco W.A.; Hummelen, Jan C.; Koster, L. Jan Anton; Loi, Maria A.

    2013-01-01

    We provide a short review of modern 'plastic' solar cells, a broad topic that spans materials science, physics, and chemistry. The aim of this review is to provide a primer for non-experts or researchers in related fields who are curious about this rapidly growing field of interdisciplinary

  11. Preliminary corrosion models for BWIP [Basalt Waste Isolation Project] canister materials

    International Nuclear Information System (INIS)

    Fish, R.L.; Anantatmula, R.P.

    1983-01-01

    Waste package development for the Basalt Waste Isolation Project (BWIP) requires the generation of materials degradation data under repository relevant conditions. These data are used to develop predictive models for the behavior of each component of waste package. The component models are exercised in performance analyses to optimize the waste package design. This document presents all repository relevant canister materials corrosion data that the BWIP and others have developed to date, describes the methodology used to develop preliminary corrosion models and provides the mathematical description of the models for both low carbon steel and Fe9Cr1Mo steel. Example environment/temperature history and model application calculations are presented to aid in understanding the models. The models are preliminary in nature and will be updated as additional corrosion data become available. 6 refs., 5 tabs

  12. 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...

  13. Optimization-Based Inverse Identification of the Parameters of a Concrete Cap Material Model

    Science.gov (United States)

    Král, Petr; Hokeš, Filip; Hušek, Martin; Kala, Jiří; Hradil, Petr

    2017-10-01

    Issues concerning the advanced numerical analysis of concrete building structures in sophisticated computing systems currently require the involvement of nonlinear mechanics tools. The efforts to design safer, more durable and mainly more economically efficient concrete structures are supported via the use of advanced nonlinear concrete material models and the geometrically nonlinear approach. The application of nonlinear mechanics tools undoubtedly presents another step towards the approximation of the real behaviour of concrete building structures within the framework of computer numerical simulations. However, the success rate of this application depends on having a perfect understanding of the behaviour of the concrete material models used and having a perfect understanding of the used material model parameters meaning. The effective application of nonlinear concrete material models within computer simulations often becomes very problematic because these material models very often contain parameters (material constants) whose values are difficult to obtain. However, getting of the correct values of material parameters is very important to ensure proper function of a concrete material model used. Today, one possibility, which permits successful solution of the mentioned problem, is the use of optimization algorithms for the purpose of the optimization-based inverse material parameter identification. Parameter identification goes hand in hand with experimental investigation while it trying to find parameter values of the used material model so that the resulting data obtained from the computer simulation will best approximate the experimental data. This paper is focused on the optimization-based inverse identification of the parameters of a concrete cap material model which is known under the name the Continuous Surface Cap Model. Within this paper, material parameters of the model are identified on the basis of interaction between nonlinear computer simulations

  14. Modeling of fissile material diversion in solvent extraction cascades

    International Nuclear Information System (INIS)

    Schneider, A.; Carlson, R.W.

    1980-01-01

    Changes were calculated for measurable parameters of a solvent extraction section of a reprocessing plant resulting from postulated fissile material diversion actions. The computer program SEPHIS was modified to calculate the time-dependent concentrations of uranium and plutonium in each stage of a cascade. The calculation of the inventories of uranium and plutonium in each contactor was also included. The concentration and inventory histories were computed for a group of four sequential columns during start-up and for postulated diversion conditions within this group of columns. Monitoring of column exit streams or of integrated column inventories for fissile materials could provide qualitative indications of attempted diversions. However, the time delays and resulting changes are complex and do not correlate quantitatively with the magnitude of the initiating event

  15. Measurement and modeling of hyperfine parameters in ferroic materials

    CERN Document Server

    Gonçalves, João Nuno; Correia, J G

    This thesis presents the results of perturbed angular correlation (PAC) experiments , an experimental technique which measures the hyperfine interaction at probes (radioactive ions implanted in the materials to study), from which one infers local information on an atomic scale. Furthermore, abinitio calculations using density functional theory electronic obtain results that directly complement the experiments, and are also used for theoretical research. These methods were applied in two families of materials. The manganites, with the possible existence of magnetic, charge, orbital and ferroelectric orders, are of fundamental and technological interest. The experimental results are obtained in the alkaline-earth manganites (Ca, Ba, Sr), with special interest due to the structural variety of possible polymorphs. With probes of Cd and In the stability of the probe and its location in a wide temperature range is established and a comparison with calculations allows the physical interpretation of the results. Cal...

  16. Modelling of functionally graded materials by numerical homogenization

    Energy Technology Data Exchange (ETDEWEB)

    Schmauder, S.; Weber, U. [Stuttgart Univ. (Germany). Staatliche Materialpruefungsanstalt

    2001-03-01

    In this contribution, the mechanical behaviour of different ZrO{sub 2}/NiCr 80 20 compositions is analysed and compared with experimental findings. The microwave-sintered material is found to possess a slightly dominant ceramic matrix for intermediate volume fractions. Its thermal expansion coefficient deviates from the rule of mixture. The modulus and the stress strain behaviour can be simulated by a numerical homogenization procedure, and the influence of residual stresses is found to be negligible. A newly introduced parameter (matricity) describes the mutual circumvention of the phases and is found to strongly control the stress level of the composite, globally as well as locally. Finally, a graded component and a metal/ceramic bi-material are compared for thermal as well as mechanical loading. (orig.)

  17. Thermal modelling of extrusion based additive manufacturing of composite materials

    DEFF Research Database (Denmark)

    Jensen, Mathias Laustsen; Sonne, Mads Rostgaard; Hattel, Jesper Henri

    One of the hottest topics regarding manufacturing these years is additive manufacturing (AM). AM is a young branch of manufacturing techniques, which by nature is disruptive due to its completely different manufacturing approach, wherein material is added instead of removed. By adding material...... layer by layer, mould and customised tooling requirements from the conventional manufacturing are reduced or removed, which leads to increased customisation options and enables new part complexities without increasing the manufacturing cost. AM hence enables customised small volume productions...... of composite parts not feasible by conventional manufacturing techniques. This sets up new requirements to the part verification and validation, while conventional destructive tests become too expensive. This initial study aims to investigate alternative options to this destructive testing by increasing...

  18. Advanced homogenization strategies in material modeling of thermally sprayed TBCs

    International Nuclear Information System (INIS)

    Bobzin, K.; Lugscheider, E.; Nickel, R.; Kashko, T.

    2006-01-01

    Thermal barrier coatings (TBC), obtained by atmospheric plasma spraying (APS), have a complex microstructure (lamellar, porous, micro-cracked). Process parameters take an influence on this microstructure. Two methods based on the homogenization for periodic structures are presented in this article. The methods are used to calculate the effective material behavior of APS-TBCs made of partially yttria stabilized zirconia (PYSZ) depending on the microstructure. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  19. PECASE - First Principles Modeling of Mechanics and Chemistry of Materials

    Science.gov (United States)

    2013-01-18

    22-25, 2010) cosponsored by National Academy of Engineering and the Alexander von Humboldt Foundation. Chinese Ministry of Education and Li Ka...Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang, China, July 18, 2011. Keynote presentation, ASME McMat2011, symposium...San Francisco, April 13-17, 2009. Invited talk, Shanghai Institute of Ceramics , March 10, 2009. Invited talk, TMS 2009 Annual Meeting & Exhibition

  20. A model for hydrogen pickup for BWR cladding materials

    International Nuclear Information System (INIS)

    Hede, G.; Kaiser, U.

    2001-01-01

    It has been observed that rod elongation is driven by the hydrogen pickup but not by corrosion as such. Based on this a non-destructive method to determine clad hydrogen concentration has been developed. The method is based on the observation that there are three different mechanisms behind the rod growth: the effect of neutron irradiation on the Zircaloy microstructure, the volume increase of the cladding as an effect of hydride precipitation and axial pellet-cladding-mechanical-interaction (PCMI). The derived correlation is based on the experience of older cladding materials, inspected at hot-cell laboratories, that obtained high hydrogen levels (above 500 ppm) at lower burnup (assembly burnup below 50 MWd/kgU). Now this experience can be applied, by interpolation, on more modern cladding materials with a burnup beyond 50 MWd/kgU by analysis of the rod growth database of the respective cladding materials. Hence, the method enables an interpolation rather than an extrapolation of present day hydrogen pickup database, which improves the reliability and accuracy. Further, one can get a good estimate of the hydrogen pickup during an ongoing outage based on a non-destructive method. Finally, rod growth measurements are normally performed for a large population of rods, hence giving a good statistics compared to examination of a few rods at a hot cell. (author)

  1. Modeling the Mechanical Behavior of Ceramic Matrix Composite Materials

    Science.gov (United States)

    Jordan, William

    1998-01-01

    Ceramic matrix composites are ceramic materials, such as SiC, that have been reinforced by high strength fibers, such as carbon. Designers are interested in using ceramic matrix composites because they have the capability of withstanding significant loads while at relatively high temperatures (in excess of 1,000 C). Ceramic matrix composites retain the ceramic materials ability to withstand high temperatures, but also possess a much greater ductility and toughness. Their high strength and medium toughness is what makes them of so much interest to the aerospace community. This work concentrated on two different tasks. The first task was to do an extensive literature search into the mechanical behavior of ceramic matrix composite materials. This report contains the results of this task. The second task was to use this understanding to help interpret the ceramic matrix composite mechanical test results that had already been obtained by NASA. Since the specific details of these test results are subject to the International Traffic in Arms Regulations (ITAR), they are reported in a separate document (Jordan, 1997).

  2. Time-domain modeling for shielding effectiveness of materials against electromagnetic pulse based on system identification

    International Nuclear Information System (INIS)

    Chen, Xiang; Chen, Yong Guang; Wei, Ming; Hu, Xiao Feng

    2013-01-01

    Shielding effectiveness (SE) of materials against electromagnetic pulse (EMP) cannot be well estimated by traditional test method of SE of materials which only consider the amplitude-frequency characteristic of materials, but ignore the phase-frequency ones. In order to solve this problem, the model of SE of materials against EMP was established based on system identification (SI) method with time-domain linear cosine frequency sweep signal. The feasibility of the method in this paper was examined depending on infinite planar material and the simulation research of coaxial test method and windowed semi-anechoic box of materials. The results show that the amplitude-frequency and phase-frequency information of each frequency can be fully extracted with this method. SE of materials against strong EMP can be evaluated with time-domain low field strength (voltage) of cosine frequency sweep signal. And SE of materials against a variety EMP will be predicted by the model.

  3. Process Modeling of Composite Materials for Wind-Turbine Rotor Blades: Experiments and Numerical Modeling

    Directory of Open Access Journals (Sweden)

    Birgit Wieland

    2017-10-01

    Full Text Available The production of rotor blades for wind turbines is still a predominantly manual process. Process simulation is an adequate way of improving blade quality without a significant increase in production costs. This paper introduces a module for tolerance simulation for rotor-blade production processes. The investigation focuses on the simulation of temperature distribution for one-sided, self-heated tooling and thick laminates. Experimental data from rotor-blade production and down-scaled laboratory tests are presented. Based on influencing factors that are identified, a physical model is created and implemented as a simulation. This provides an opportunity to simulate temperature and cure-degree distribution for two-dimensional cross sections. The aim of this simulation is to support production processes. Hence, it is modelled as an in situ simulation with direct input of temperature data and real-time capability. A monolithic part of the rotor blade, the main girder, is used as an example for presenting the results.

  4. Process Modeling of Composite Materials for Wind-Turbine Rotor Blades: Experiments and Numerical Modeling.

    Science.gov (United States)

    Wieland, Birgit; Ropte, Sven

    2017-10-05

    The production of rotor blades for wind turbines is still a predominantly manual process. Process simulation is an adequate way of improving blade quality without a significant increase in production costs. This paper introduces a module for tolerance simulation for rotor-blade production processes. The investigation focuses on the simulation of temperature distribution for one-sided, self-heated tooling and thick laminates. Experimental data from rotor-blade production and down-scaled laboratory tests are presented. Based on influencing factors that are identified, a physical model is created and implemented as a simulation. This provides an opportunity to simulate temperature and cure-degree distribution for two-dimensional cross sections. The aim of this simulation is to support production processes. Hence, it is modelled as an in situ simulation with direct input of temperature data and real-time capability. A monolithic part of the rotor blade, the main girder, is used as an example for presenting the results.

  5. Facility level SSAC for model country - an introduction and material balance accounting principles

    International Nuclear Information System (INIS)

    Jones, R.J.

    1989-01-01

    A facility level State System of Accounting for and Control of Nuclear Materials (SSAC) for a model country and the principles of materials balance accounting relating to that country are described. The seven principal elements of a SSAC are examined and a facility level system based on them discussed. The seven elements are organization and management; nuclear material measurements; measurement quality; records and reports; physical inventory taking; material balance closing; containment and surveillance. 11 refs., 19 figs., 5 tabs

  6. Modeling Spin Testing Using Location Specific Material Properties

    Science.gov (United States)

    2012-04-01

    bulk of a material (for example, ferrite, bainite , martensite phases in steels ) the properties may roughly be derived as a "rule of mixtures" of the...1986): Int. J. of plasticity,p149 α 1σ 2σ loading surface R0σ (HC steel -Wilson & Bate, Acta Metall. 34, pp. 1107-1120,1986) Tension curve ε σ oσ...nucleation potency of primary inclusions in heat treated and shot peened martensitic gear steels ,” International Journal of Fatigue, Vol. 31, No. 7

  7. Implicit integration of plasticity models for granular materials

    DEFF Research Database (Denmark)

    Ahadi, A.; Krenk, Steen

    2003-01-01

    A stress integration algorithm for granular materials based on fully implicit integration with explicit updating is presented. In the implicit method the solution makes use of the gradient to the potential surface at the final stress state which is unknown. The final stress and hardening parameters...... stresses are not supported the functions and their derivatives are not representative outside the compressive octant of the principal stress space. The elastic predictor is therefore preconditioned in order to ensure that the first predictor is within the valid region. Capability and robustness...

  8. Computer modeling of nuclide adsorption on geologic materials

    International Nuclear Information System (INIS)

    Silva, R.J.; White, A.R.; Yee, A.W.

    1980-07-01

    A computer program, called MINEQL, has been developed and is being tested for use in predicting the distribution of radionuclides between solid and aqueous species for a variety of geologic materials and solution conditions. MINEQL is designed to accept a list of components of a system (electrolytes, solid substrates and radionuclides) and their total analytical concentrations, solve the appropriate set of mass balance and equilibrium expressions, and produce a list of the identities and concentrations of all species formed by interactions among the components and between them and/or water

  9. Adaptive Smoothed Finite Elements (ASFEM) for history dependent material models

    International Nuclear Information System (INIS)

    Quak, W.; Boogaard, A. H. van den

    2011-01-01

    A successful simulation of a bulk forming process with finite elements can be difficult due to distortion of the finite elements. Nodal smoothed Finite Elements (NSFEM) are an interesting option for such a process since they show good distortion insensitivity and moreover have locking-free behavior and good computational efficiency. In this paper a method is proposed which takes advantage of the nodally smoothed field. This method, named adaptive smoothed finite elements (ASFEM), revises the mesh for every step of a simulation without mapping the history dependent material parameters. In this paper an updated-Lagrangian implementation is presented. Several examples are given to illustrate the method and to show its properties.

  10. Reduced material model for closed cell metal foam infiltrated with phase change material based on high resolution numerical studies

    International Nuclear Information System (INIS)

    Ohsenbrügge, Christoph; Marth, Wieland; Navarro y de Sosa, Iñaki; Drossel, Welf-Guntram; Voigt, Axel

    2016-01-01

    Highlights: • Closed cell metal foam sandwich structures were investigated. • High resolution numerical studies were conducted using CT scan data. • A reduced model for use in commercial FE software reduces needed degrees of freedom. • Thermal inertia is increased about 4 to 5 times in PCM filled structures. • The reduced material model was verified using experimental data. - Abstract: The thermal behaviour of closed cell metal foam infiltrated with paraffin wax as latent heat storage for application in high precision tool machines was examined. Aluminium foam sandwiches with metallically bound cover layers were prepared in a powder metallurgical process and cross-sectional images of the structures were generated with X-ray computed tomography. Based on the image data a three dimensional highly detailed model was derived and prepared for simulation with the adaptive FE-library AMDiS. The pores were assumed to be filled with paraffin wax. The thermal conductivity and the transient thermal behaviour in the phase-change region were investigated. Based on the results from the highly detailed simulations a reduced model for use in commercial FE-software (ANSYS) was derived. It incorporates the properties of the matrix and the phase change material into a homogenized material. A sandwich-structure with and without paraffin was investigated experimentally under constant thermal load. The results were used to verify the reduced material model in ANSYS.

  11. Molecular modeling for the design of novel performance chemicals and materials

    CERN Document Server

    Rai, Beena

    2012-01-01

    Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and practitioners are often seized with the question: ""How do I leverage these tools to develop novel materials or chemicals in my industry?"" Molecular Modeling for the Design of Novel Performance Chemicals and Materials answers this important questio

  12. Density functional theory and beyond-opportunities for quantum methods in materials modeling semiconductor technology

    International Nuclear Information System (INIS)

    Shankar, Sadasivan; Simka, Harsono; Haverty, Michael

    2008-01-01

    In the semiconductor industry, the use of new materials has been increasing with the advent of nanotechnology. As critical dimensions decrease, and the number of materials increases, the interactions between heterogeneous materials themselves and processing increase in complexity. Traditionally, applications of ab initio techniques are confined to electronic structure and band gap calculations of bulk materials, which are then used in coarse-grained models such as mesoscopic and continuum models. Density functional theory is the most widely used ab initio technique that was successfully extended to several applications. This paper illustrates applications of density functional theory to semiconductor processes and proposes further opportunities for use of such techniques in process development

  13. Guidelines for Applying Cohesive Models to the Damage Behaviour of Engineering Materials and Structures

    CERN Document Server

    Schwalbe, Karl-Heinz; Cornec, Alfred

    2013-01-01

    This brief provides guidance for the application of cohesive models to determine damage and fracture in materials and structural components. This can be done for configurations with or without a pre-existing crack. Although the brief addresses structural behaviour, the methods described herein may also be applied to any deformation induced material damage and failure, e.g. those occurring during manufacturing processes. The methods described are applicable to the behaviour of ductile metallic materials and structural components made thereof. Hints are also given for applying the cohesive model to other materials.

  14. Activity measurement and effective dose modelling of natural radionuclides in building material.

    Science.gov (United States)

    Maringer, F J; Baumgartner, A; Rechberger, F; Seidel, C; Stietka, M

    2013-11-01

    In this paper the assessment of natural radionuclides' activity concentration in building materials, calibration requirements and related indoor exposure dose models is presented. Particular attention is turned to specific improvements in low-level gamma-ray spectrometry to determine the activity concentration of necessary natural radionuclides in building materials with adequate measurement uncertainties. Different approaches for the modelling of the effective dose indoor due to external radiation resulted from natural radionuclides in building material and results of actual building material assessments are shown. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. Prediction of Fracture Behavior in Rock and Rock-like Materials Using Discrete Element Models

    Science.gov (United States)

    Katsaga, T.; Young, P.

    2009-05-01

    The study of fracture initiation and propagation in heterogeneous materials such as rock and rock-like materials are of principal interest in the field of rock mechanics and rock engineering. It is crucial to study and investigate failure prediction and safety measures in civil and mining structures. Our work offers a practical approach to predict fracture behaviour using discrete element models. In this approach, the microstructures of materials are presented through the combination of clusters of bonded particles with different inter-cluster particle and bond properties, and intra-cluster bond properties. The geometry of clusters is transferred from information available from thin sections, computed tomography (CT) images and other visual presentation of the modeled material using customized AutoCAD built-in dialog- based Visual Basic Application. Exact microstructures of the tested sample, including fractures, faults, inclusions and void spaces can be duplicated in the discrete element models. Although the microstructural fabrics of rocks and rock-like structures may have different scale, fracture formation and propagation through these materials are alike and will follow similar mechanics. Synthetic material provides an excellent condition for validating the modelling approaches, as fracture behaviours are known with the well-defined composite's properties. Calibration of the macro-properties of matrix material and inclusions (aggregates), were followed with the overall mechanical material responses calibration by adjusting the interfacial properties. The discrete element model predicted similar fracture propagation features and path as that of the real sample material. The path of the fractures and matrix-inclusion interaction was compared using computed tomography images. Initiation and fracture formation in the model and real material were compared using Acoustic Emission data. Analysing the temporal and spatial evolution of AE events, collected during the

  16. A phenomenological variational multiscale constitutive model for intergranular failure in nanocrystalline materials

    KAUST Repository

    Siddiq, A.

    2013-09-01

    We present a variational multiscale constitutive model that accounts for intergranular failure in nanocrystalline fcc metals due to void growth and coalescence in the grain boundary region. Following previous work by the authors, a nanocrystalline material is modeled as a two-phase material consisting of a grain interior phase and a grain boundary affected zone (GBAZ). A crystal plasticity model that accounts for the transition from partial dislocation to full dislocation mediated plasticity is used for the grain interior. Isotropic porous plasticity model with further extension to account for failure due to the void coalescence was used for the GBAZ. The extended model contains all the deformation phases, i.e. elastic deformation, plastic deformation including deviatoric and volumetric plasticity (void growth) followed by damage initiation and evolution due to void coalescence. Parametric studies have been performed to assess the model\\'s dependence on the different input parameters. The model is then validated against uniaxial loading experiments for different materials. Lastly we show the model\\'s ability to predict the damage and fracture of a dog-bone shaped specimen as observed experimentally. © 2013 Elsevier B.V.

  17. MaMR: High-performance MapReduce programming model for material cloud applications

    Science.gov (United States)

    Jing, Weipeng; Tong, Danyu; Wang, Yangang; Wang, Jingyuan; Liu, Yaqiu; Zhao, Peng

    2017-02-01

    With the increasing data size in materials science, existing programming models no longer satisfy the application requirements. MapReduce is a programming model that enables the easy development of scalable parallel applications to process big data on cloud computing systems. However, this model does not directly support the processing of multiple related data, and the processing performance does not reflect the advantages of cloud computing. To enhance the capability of workflow applications in material data processing, we defined a programming model for material cloud applications that supports multiple different Map and Reduce functions running concurrently based on hybrid share-memory BSP called MaMR. An optimized data sharing strategy to supply the shared data to the different Map and Reduce stages was also designed. We added a new merge phase to MapReduce that can efficiently merge data from the map and reduce modules. Experiments showed that the model and framework present effective performance improvements compared to previous work.

  18. Modeling of subcooling and solidification of phase change materials

    Science.gov (United States)

    Günther, Eva; Mehling, Harald; Hiebler, Stefan

    2007-12-01

    Phase change materials (PCM) are able to store thermal energy in small temperature intervals very efficiently due to their high latent heat. Particularly high storage capacity is found in salt hydrates. Salt hydrates however often show subcooling, thus inhibiting the release of the stored heat. In the state of the art simulations of PCM, the effect of subcooling is almost always neglected. This is a practicable approach for small subcooling, but it is problematic for subcooling in the order of the driving temperature gradient on unloading the storage. In this paper, we first present a new algorithm to simulate subcooling in a physically proper way. Then, we present a parametric study to demonstrate the main features of the algorithm and a comparison of computed and experimentally obtained data. The new algorithm should be particularly useful in simulating applications with low cooling rates, for example building applications.

  19. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Science.gov (United States)

    Giannozzi, P.; Andreussi, O.; Brumme, T.; Bunau, O.; Buongiorno Nardelli, M.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Cococcioni, M.; Colonna, N.; Carnimeo, I.; Dal Corso, A.; de Gironcoli, S.; Delugas, P.; DiStasio, R. A., Jr.; Ferretti, A.; Floris, A.; Fratesi, G.; Fugallo, G.; Gebauer, R.; Gerstmann, U.; Giustino, F.; Gorni, T.; Jia, J.; Kawamura, M.; Ko, H.-Y.; Kokalj, A.; Küçükbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H.-V.; Otero-de-la-Roza, A.; Paulatto, L.; Poncé, S.; Rocca, D.; Sabatini, R.; Santra, B.; Schlipf, M.; Seitsonen, A. P.; Smogunov, A.; Timrov, I.; Thonhauser, T.; Umari, P.; Vast, N.; Wu, X.; Baroni, S.

    2017-11-01

    Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

  20. Advanced capabilities for materials modelling with Quantum ESPRESSO.

    Science.gov (United States)

    Andreussi, Oliviero; Brumme, Thomas; Bunau, Oana; Buongiorno Nardelli, Marco; Calandra, Matteo; Car, Roberto; Cavazzoni, Carlo; Ceresoli, Davide; Cococcioni, Matteo; Colonna, Nicola; Carnimeo, Ivan; Dal Corso, Andrea; de Gironcoli, Stefano; Delugas, Pietro; DiStasio, Robert; Ferretti, Andrea; Floris, Andrea; Fratesi, Guido; Fugallo, Giorgia; Gebauer, Ralph; Gerstmann, Uwe; Giustino, Feliciano; Gorni, Tommaso; Jia, Junteng; Kawamura, Mitsuaki; Ko, Hsin-Yu; Kokalj, Anton; Küçükbenli, Emine; Lazzeri, Michele; Marsili, Margherita; Marzari, Nicola; Mauri, Francesco; Nguyen, Ngoc Linh; Nguyen, Huy-Viet; Otero-de-la-Roza, Alberto; Paulatto, Lorenzo; Poncé, Samuel; Giannozzi, Paolo; Rocca, Dario; Sabatini, Riccardo; Santra, Biswajit; Schlipf, Martin; Seitsonen, Ari Paavo; Smogunov, Alexander; Timrov, Iurii; Thonhauser, Timo; Umari, Paolo; Vast, Nathalie; Wu, Xifan; Baroni, Stefano

    2017-09-27

    Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement theirs ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software. © 2017 IOP Publishing Ltd.

  1. Evaluation of attenuating materials: model for the distribution of scattered radiation

    International Nuclear Information System (INIS)

    Costa, Paulo R.

    1996-01-01

    A mathematical model for the behaviour of the distribution of photon scattered by attenuating media is presented. Shielding barriers or attenuating materials used in tests of quality control in radiology are proposed. Comparative results for Lucite are reported

  2. Development of an Advanced Composite Material Model Suitable for Blast and Ballistic Impact Simulations

    National Research Council Canada - National Science Library

    Yen, C. F; Cheeseman, B. A

    2004-01-01

    A robust composite progressive failure model has been successfully developed to account for the strain-rate and pressure dependent behavior of composite materials subjected to high velocity ballistic impact...

  3. 3D continuum phonon model for group-IV 2D materials

    KAUST Repository

    Willatzen, Morten; Lew Yan Voon, Lok C; Gandi, Appala; Schwingenschlö gl, Udo

    2017-01-01

    A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus

  4. A Preisach type model for temperature driven hysteresis memory erasure in shape memory materials

    OpenAIRE

    Kopfová, J.; Krejčí, P. (Pavel)

    2011-01-01

    We establish the well-posedness and thermodynamic consistency of a variational inequality modeling temperature-induced memory erasure in shape memory materials. It is shown that the input-output operator is continuous with respect to uniform convergence.

  5. Modeling and Analysis of Composites Using Smart Materials and Optimization Techniques

    National Research Council Canada - National Science Library

    Chattopadhyay, A

    2001-01-01

    The vibratory load reduction at rotor hub using self-sensing piezoelectric material and closed loop control is investigated, A composite box beam theory is developed to model the primary load carrying...

  6. Impact Testing of Aluminum 2024 and Titanium 6Al-4V for Material Model Development

    Science.gov (United States)

    Pereira, J. Michael; Revilock, Duane M.; Lerch, Bradley A.; Ruggeri, Charles R.

    2013-01-01

    One of the difficulties with developing and verifying accurate impact models is that parameters such as high strain rate material properties, failure modes, static properties, and impact test measurements are often obtained from a variety of different sources using different materials, with little control over consistency among the different sources. In addition there is often a lack of quantitative measurements in impact tests to which the models can be compared. To alleviate some of these problems, a project is underway to develop a consistent set of material property, impact test data and failure analysis for a variety of aircraft materials that can be used to develop improved impact failure and deformation models. This project is jointly funded by the NASA Glenn Research Center and the FAA William J. Hughes Technical Center. Unique features of this set of data are that all material property data and impact test data are obtained using identical material, the test methods and procedures are extensively documented and all of the raw data is available. Four parallel efforts are currently underway: Measurement of material deformation and failure response over a wide range of strain rates and temperatures and failure analysis of material property specimens and impact test articles conducted by The Ohio State University; development of improved numerical modeling techniques for deformation and failure conducted by The George Washington University; impact testing of flat panels and substructures conducted by NASA Glenn Research Center. This report describes impact testing which has been done on aluminum (Al) 2024 and titanium (Ti) 6Al-4vanadium (V) sheet and plate samples of different thicknesses and with different types of projectiles, one a regular cylinder and one with a more complex geometry incorporating features representative of a jet engine fan blade. Data from this testing will be used in validating material models developed under this program. The material

  7. Model of Dirac field interacting with material plane within Symanzik’s approach

    Directory of Open Access Journals (Sweden)

    Pismak Yu. M.

    2016-01-01

    Full Text Available The model for the interaction of a spinor field with a material plane is constructed in the framework of the Symanzik’s approach. The characteristics of scattering process of Dirac particles on the plane are calculated. The bounced states localized near the plane are investigated.The model can find application to a wide class of phenomena arising by the interaction of quantum electrodynamics fields with two-dimensional materials.

  8. Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials

    OpenAIRE

    Dutra, José Diogo L.; Filho, Manoel A. M.; Rocha, Gerd B.; Freire, Ricardo O.; Simas, Alfredo M.; Stewart, James J. P.

    2013-01-01

    The recently published Parametric Method number 7, PM7, is the first semiempirical method to be successfully tested by modeling crystal structures and heats of formation of solids. PM7 is thus also capable of producing results of useful accuracy for materials science, and constitutes a great improvement over its predecessor, PM6. In this article, we present Sparkle Model parameters to be used with PM7 that allow the prediction of geometries of metal complexes and materials which contain lanth...

  9. Application of adobe flash media to optimize jigsaw learning model on geometry material

    Science.gov (United States)

    Imam, P.; Imam, S.; Ikrar, P.

    2018-05-01

    This study aims to determine and describe the effectiveness of the application of adobe flash media for jigsaw learning model on geometry material. In this study, the modified jigsaw learning with adobe flash media is called jigsaw-flash model. This research was conducted in Surakarta. The research method used is mix method research with exploratory sequential strategy. The results of this study indicate that students feel more comfortable and interested in studying geometry material taught by jigsaw-flash model. In addition, students taught using the jigsaw-flash model are more active and motivated than the students who were taught using ordinary jigsaw models. This shows that the use of the jigsaw-flash model can increase student participation and motivation. It can be concluded that the adobe flash media can be used as a solution to reduce the level of student abstraction in learning mathematics.

  10. Mesoscale Laboratory Models of the Biodegradation of Municipal Landfill Materials

    Science.gov (United States)

    Borglin, S. E.; Hazen, T. C.; Oldenburg, C. M.; Zawislanski, P. T.

    2001-12-01

    Stabilization of municipal landfills is a critical issue involving land reuse, leachate treatment, and odor control. In an effort to increase landfill stabilization rates and decrease leachate treatment costs, municipal landfills can be operated as active aerobic or anaerobic bioreactors. Rates of settling and biodegradation were compared in three different treatments of municipal landfill materials in laboratory-scale bioreactors. Each of the three fifty-five-gallon clear acrylic tanks was fitted with pressure transducers, thermistors, neutron probe access tubes, a leachate recirculation system, gas vents, and air injection ports. The treatments applied to the tanks were (a) aerobic (air injection with leachate recirculation and venting from the top), (b) anaerobic (leachate recirculation with passive venting from the top), and (c) a control tank (passive venting from the top and no leachate recirculation). All tanks contained a 10-cm-thick layer of pea gravel at the bottom, overlain by a mixture of fresh waste materials on the order of 5-10 cm in size to an initial height of 0.55 m. Concentrations of O2, CO2 and CH4 were measured at the gas vent, and leachate was collected at the bottom drain. The water saturation in the aerobic and anaerobic tanks averaged 17 % and the control tank averaged 1 %. Relative degradation rates between the tanks were monitored by CO2 and CH4 production rates and O2 respiration rates. Respiration tests on the aerobic tank show a decrease in oxygen consumption rates from 1.3 mol/day at 20 days to 0.1 mol/day at 300 days, indicating usable organics are being depleted. The anaerobic tank produced measurable methane after 300 days that increased to 41% by volume after 370 days. Over the test period, the aerobic tank settled 30 %, the anaerobic tank 18.5 %, and the control tank 11.1 %. The concentrations of metals, nitrate, phosphate, and total organic carbon in the aerobic tank leachate are an order of magnitude lower than in the anaerobic

  11. CH of masonry materials via meshless meso-modeling

    Directory of Open Access Journals (Sweden)

    Giuseppe Giambanco

    2014-07-01

    Full Text Available In the present study a multi-scale computational strategy for the analysis of masonry structures is presented. The structural macroscopic behaviour is obtained making use of the Computational Homogenization (CH technique based on the solution of the boundary value problem (BVP of a detailed Unit Cell (UC chosen at the meso-scale and representative of the heterogeneous material. The smallest UC is composed by a brick and half of its surrounding joints, the former assumed to behave elastically while the latter considered with an elastoplastic softening response. The governing equations at the macroscopic level are formulated in the framework of finite element method while the Meshless Method (MM is adopted to solve the BVP at the mesoscopic level. The work focuses on the BVP solution. The consistent tangent stiffness matrix at a macroscopic quadrature point is evaluated on the base of BVP results for the UC together with a localisation procedure. Validation of the MM procedure at the meso-scale level is demonstrated by numerical examples that show the results of the BVP for the simple cases of normal and shear loading of the UC.

  12. Multiscale network model for simulating liquid water and water vapour transfer properties of porous materials

    NARCIS (Netherlands)

    Carmeliet, J.; Descamps, F.; Houvenaghel, G.

    1999-01-01

    A multiscale network model is presented to model unsaturated moisture transfer in hygroscopic capillary-porous materials showing a broad pore-size distribution. Both capillary effects and water sorption phenomena, water vapour and liquid water transfer are considered. The multiscale approach is

  13. Modeling of hydrogen storage in hydride-forming materials : statistical thermodynamics

    NARCIS (Netherlands)

    Ledovskikh, A.; Danilov, D.; Rey, W.J.J.; Notten, P.H.L.

    2006-01-01

    A new lattice gas model has been developed, describing the hydrogen storage in hydride-forming materials. This model is based on the mean-field theory and Bragg-Williams approximation. To describe first-order phase transitions and two-phase coexistence regions, a binary alloy approach has been

  14. Model to predict the radiological consequences of transportation of radioactive material through an urban environment

    International Nuclear Information System (INIS)

    Taylor, J.M.; Daniel, S.L.; DuCharme, A.R.; Finley, N.N.

    1977-01-01

    A model has been developed which predicts the radiological consequences of the transportation of radioactive material in and around urban environments. This discussion of the model includes discussion of the following general topics: health effects from radiation exposure, urban area characterization, computation of dose resulting from normal transportation, computation of dose resulting from vehicular accidents or sabotage, and preliminary results and conclusions

  15. An advanced material model for aluminum sheet forming at elevated temperatures

    NARCIS (Netherlands)

    Kurukuri, S.; Miroux, Alexis; Ghosh, Manojit; van den Boogaard, Antonius H.; Oñate, E.; Owen, D.R.J; Suárez, B.

    2009-01-01

    A physically-based material model according to Nes is used to simulate the warm forming of Al-Mg-Si sheet. This model incorporates the influence of the temperature and strain rate on the flow stress and on the hardening rate based on storage and dynamic recovery of dislocations. The effect of size

  16. 3D continuum phonon model for group-IV 2D materials

    KAUST Repository

    Willatzen, Morten

    2017-06-30

    A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included.

  17. Femtosecond laser excitation of dielectric materials: experiments and modeling of optical properties and ablation depths

    DEFF Research Database (Denmark)

    Wædegaard, Kristian Juncher; Frislev, Martin Thomas; Balling, Peter

    2013-01-01

    Modeling of the interaction between a dielec- tric material and ultrashort laser pulses provides the tem- poral evolution of the electronic excitation and the optical properties of the dielectric. Experimentally determined re- flectances and ablation depths for sapphire are compared...... to the calculations. A decrease in reflectance at high fluences is observed experimentally, which demonstrates the neces- sity of a temperature-dependent electron scattering rate in the model. The comparison thus provides new constraints on the optical parameters of the model....

  18. The stochastic nuclide transport model for buffer/backfill materials

    International Nuclear Information System (INIS)

    Ma Liping; Han Yongguo

    2014-01-01

    Currently, study on nuclide migration law in geological disposal repository of high level waste is assumed buffer/backfill layer to be continuous medium, utilized the continuity equation, equation of state, the equations of motion, etc, formed a set of theory and method to estimate nuclide concentration distribution in buffer/backfill layer, and provided an important basis for nuclide migration rules of repository. However, it is necessary to study the buffer/backfill layer microstructure and subtly describe the pore structure and fracture system of the buffer/backfill layer, and reflect the changes in connectivity and in different directions of the buffer/backfill layer. Through using random field theory, the nuclide transport for the buffer/backfill layer in geological disposal repository of nuclear waste is described in the paper. This paper mainly includes that, t represents the time, ξ t ⊂ Z d = d represents the integer lattice, Z represents collectivity integers, d = l, 2, 3, for instance, d = 2, Z d = {(m, n) : m, n ∈ Z} the state point of ξ t is typically considered to be occupied by the nuclide concentration values of the buffer/backfill layer, ξ t also represents random set in the diagram of two dimensional integer lattice, namely, t ∈ [0, T], {ξ t ,0 ≤ t ≤ ⊂ T} Consequently, according to the stochastic process obtained above, the changes of the nuclide concentration values of the buffer/backfill layer or the buffer/backfill laboratory materials in the repository with the time can be known. (authors)

  19. MINIMUM SOLID AREA MODELS FOR THE EFFECTIVE PROPERTIES OF POROUS MATERIALS - A REFUTATION

    Directory of Open Access Journals (Sweden)

    Willi Pabst

    2015-09-01

    Full Text Available Minimum solid area (MSA models are popular models for the calculation of the effective properties of porous materials and are frequently used to justify the use of a simple exponential relation for fitting purposes. In this contribution it is shown that MSA models, and the simple exponentials they support, are misleading and should be avoided. In particular, taking Young modulus and conductivity (thermal or electrical as examples, it is shown that MSA models are based on the unjustified (and unjustifiable hypothesis that the relative Young modulus and relative conductivity are identical, and moreover equal to the MSA fraction itself. This claim is generally false for isotropic materials, both random or periodic. Although indeed a very specific case exists in which this claim is true for the properties in one specific direction (viz., extremely anisotropic materials with translational invariance, in this specific case MSA models are redundant, because the relative properties are given exactly by the volume- or area-weighted arithmetic mean. It is shown that the mere existence of non-trivial cross-property relations is incompatible with the existence of MSA models. Finally, it is shown by numerical (finite-element modeling that MSA models provide incorrect results even in the simplest of the cases for which they were originally designed, i.e. for simple cubic packings of partially sintered isometric (initially spherical grains. Therefore, paraphrasing Box, MSA models are not only wrong, but also useless, and should be abandoned.

  20. Engineering model for low-velocity impacts of multi-material cylinder on a rigid boundary

    Directory of Open Access Journals (Sweden)

    Delvare F.

    2012-08-01

    Full Text Available Modern ballistic problems involve the impact of multi-material projectiles. In order to model the impact phenomenon, different levels of analysis can be developed: empirical, engineering and simulation models. Engineering models are important because they allow the understanding of the physical phenomenon of the impact materials. However, some simplifications can be assumed to reduce the number of variables. For example, some engineering models have been developed to approximate the behavior of single cylinders when impacts a rigid surface. However, the cylinder deformation depends of its instantaneous velocity. At this work, an analytical model is proposed for modeling the behavior of a unique cylinder composed of two different metals cylinders over a rigid surface. Material models are assumed as rigid-perfectly plastic. Differential equation systems are solved using a numerical Runge-Kutta method. Results are compared with computational simulations using AUTODYN 2D hydrocode. It was found a good agreement between engineering model and simulation results. Model is limited by the impact velocity which is transition at the interface point given by the hydro dynamical pressure proposed by Tate.

  1. Leaching models for multiple immersed materials and for granular materials flushed in a column

    NARCIS (Netherlands)

    Brouwers, H.J.H.

    1997-01-01

    The present paper addresses the leaching of hazardous contaminants from immersed and replenished materials and from granular materials flushed in a column. First, the leaching of an immersed material in contact with a limited volume of leachant is studied. The mass transfer from material to leachant

  2. Phase-field model simulation of ferroelectric/antiferroelectric materials microstructure evolution under multiphysics loading

    Science.gov (United States)

    Zhang, Jingyi

    Ferroelectric (FE) and closely related antiferroelectric (AFE) materials have unique electromechanical properties that promote various applications in the area of capacitors, sensors, generators (FE) and high density energy storage (AFE). These smart materials with extensive applications have drawn wide interest in the industrial and scientific world because of their reliability and tunable property. However, reliability issues changes its paradigms and requires guidance from detailed mechanism theory as the materials applications are pushed for better performance. A host of modeling work were dedicated to study the macro-structural behavior and microstructural evolution in FE and AFE material under various conditions. This thesis is focused on direct observation of domain evolution under multiphysics loading for both FE and AFE material. Landau-Devonshire time-dependent phase field models were built for both materials, and were simulated in finite element software Comsol. In FE model, dagger-shape 90 degree switched domain was observed at preexisting crack tip under pure mechanical loading. Polycrystal structure was tested under same condition, and blocking effect of the growth of dagger-shape switched domain from grain orientation difference and/or grain boundary was directly observed. AFE ceramic model was developed using two sublattice theory, this model was used to investigate the mechanism of energy efficiency increase with self-confined loading in experimental tests. Consistent results was found in simulation and careful investigation of calculation results gave confirmation that origin of energy density increase is from three aspects: self-confinement induced inner compression field as the cause of increase of critical field, fringe leak as the source of elevated saturation polarization and uneven defects distribution as the reason for critical field shifting and phase transition speed. Another important affecting aspect in polycrystalline materials is the

  3. Modeling Electrostatic Fields Generated by Internal Charging of Materials in Space Radiation Environments

    Science.gov (United States)

    Minow, Joseph I.

    2011-01-01

    Internal charging is a risk to spacecraft in energetic electron environments. DICTAT, NU MIT computational codes are the most widely used engineering tools for evaluating internal charging of insulator materials exposed to these environments. Engineering tools are designed for rapid evaluation of ESD threats, but there is a need for more physics based models for investigating the science of materials interactions with energetic electron environments. Current tools are limited by the physics included in the models and ease of user implementation .... additional development work is needed to improve models.

  4. Numerical Analysis of a Class of THM Coupled Model for Porous Materials

    Science.gov (United States)

    Liu, Tangwei; Zhou, Jingying; Lu, Hongzhi

    2018-01-01

    We consider the coupled models of the Thermo-hydro-mechanical (THM) problem for porous materials which arises in many engineering applications. Firstly, mathematical models of the THM coupled problem for porous materials were discussed. Secondly, for different cases, some numerical difference schemes of coupled model were constructed, respectively. Finally, aassuming that the original water vapour effect is neglectable and that the volume fraction of liquid phase and the solid phase are constants, the nonlinear equations can be reduced to linear equations. The discrete equations corresponding to the linear equations were solved by the Arnodli method.

  5. Comparison of the dynamic behaviour of brain tissue and two model materials

    NARCIS (Netherlands)

    Brands, D.W.A.; Bovendeerd, P.H.M.; Peters, G.W.M.; Wismans, J.S.H.M.; Paas, M.H.J.W.; Bree, van J.L.M.J.; Brands, D.W.A.

    1999-01-01

    Linear viscoelastic material parameters of porcine brain tissue and two brain substitute/ materials for use in mechanical head models (edible bone gelatin and dielectric silicone gel) were determined in small deformation, oscillatory shear experiments. Frequencies to 1000 Hertz could be obtained

  6. Mathematical model for choosing the nuclear safe matrix compositions for fissile material immobilization

    International Nuclear Information System (INIS)

    Gorshtein, A.I.; Matyunin, Yu.I.; Poluehktov, P.P.

    2000-01-01

    A mathematical model is proposed for preliminary choice of the nuclear safe matrix compositions for fissile material immobilization. The IBM PC computer software for nuclear safe matrix composition calculations is developed. The limiting concentration of fissile materials in the some used and perspective nuclear safe matrix compositions for radioactive waste immobilization is calculated [ru

  7. Certified reference materials for food packaging specific migration tests: development, validation and modelling

    NARCIS (Netherlands)

    Stoffers, N.H.

    2005-01-01

    Keywords:certified reference materials; diffusion; food contact materials; food packaging; laurolactam; migration modelling; nylon; specific migration This thesis compiles several research topics

  8. Traceability System Model for Quality Gelatin Raw Material of Cattle Hides

    Directory of Open Access Journals (Sweden)

    S Nur

    2010-09-01

    Full Text Available Several criteria must be accomplished within the provision of quality products in terms of the types of materials, the processing methods and effort to get it. Traceability system involves various parties that have different needs and goals in the process of supplying raw materials. Hence, there is a need for institutional systems engineering that can organize and manage the tracking process, the procurement of raw materials that guarantee the origin of gelatin raw materials, and facilitate the industry and customer to create a standardized quality of product. The purpose of the study formulates the institutional tracking models of gelatin raw material from cattle hide based on various criteria and assessment of the expert opinion. The methods used in this study were Interpretative structural modeling to formulate a representation of institutional tracking efficiently and analytical hierarchy process to determine the tracking strategy of industrial gelatin raw materials from cowhide. The results obtained from the study were some key elements of institutional tracking model for industrial gelatin raw materials from cowhide and the traceability strategies for industrial raw materials from cattle hide gelatin Indonesia. (Animal Production 12(3: 190-198 (2010 Key Words: traceability, institutional model, cattle hide, gelatin

  9. Glucose reactivity with filling materials as a limitation for using the glucose leakage model

    NARCIS (Netherlands)

    Shemesh, H.; Souza, E.M.; Wu, M.K.; Wesselink, P.R.

    2008-01-01

    Aim To evaluate the reactivity of different endodontic materials and sealers with glucose and to asses the reliability of the glucose leakage model in measuring penetration of glucose through these materials. Methodology Ten uniform discs (radius 5 mm, thickness 2 mm) were made of each of the

  10. A thermomechanical constitutive model for cemented granular materials with quantifiable internal variables. Part I-Theory

    Science.gov (United States)

    Tengattini, Alessandro; Das, Arghya; Nguyen, Giang D.; Viggiani, Gioacchino; Hall, Stephen A.; Einav, Itai

    2014-10-01

    This is the first of two papers introducing a novel thermomechanical continuum constitutive model for cemented granular materials. Here, we establish the theoretical foundations of the model, and highlight its novelties. At the limit of no cement, the model is fully consistent with the original Breakage Mechanics model. An essential ingredient of the model is the use of measurable and micro-mechanics based internal variables, describing the evolution of the dominant inelastic processes. This imposes a link between the macroscopic mechanical behavior and the statistically averaged evolution of the microstructure. As a consequence this model requires only a few physically identifiable parameters, including those of the original breakage model and new ones describing the cement: its volume fraction, its critical damage energy and bulk stiffness, and the cohesion.

  11. Modeling river total bed material load discharge using artificial intelligence approaches (based on conceptual inputs)

    Science.gov (United States)

    Roushangar, Kiyoumars; Mehrabani, Fatemeh Vojoudi; Shiri, Jalal

    2014-06-01

    This study presents Artificial Intelligence (AI)-based modeling of total bed material load through developing the accuracy level of the predictions of traditional models. Gene expression programming (GEP) and adaptive neuro-fuzzy inference system (ANFIS)-based models were developed and validated for estimations. Sediment data from Qotur River (Northwestern Iran) were used for developing and validation of the applied techniques. In order to assess the applied techniques in relation to traditional models, stream power-based and shear stress-based physical models were also applied in the studied case. The obtained results reveal that developed AI-based models using minimum number of dominant factors, give more accurate results than the other applied models. Nonetheless, it was revealed that k-fold test is a practical but high-cost technique for complete scanning of applied data and avoiding the over-fitting.

  12. Numerical modelling of reinforced concrete beams with fracture-plastic material

    Directory of Open Access Journals (Sweden)

    O. Sucharda

    2014-10-01

    Full Text Available This paper describes the use of models of fracture-plastic materials for reinforced concrete in numerical modelling of beams made from reinforced concrete. The purpose of the paper is to use of a model of concrete for modelling of a behaviour of reinforced concrete beams which have been tested at the University of Toronto within re-examination of classic concrete beam tests. The original tests were performed by Bresler- Scordelis. A stochastic modelling based on LHS (Latin Hypercube Sampling has been performed for the reinforced concrete beam. An objective of the modelling is to evaluate the total bearing capacity of the reinforced concrete beams depending on distribution of input data. The beams from the studied set have longitudinal reinforcement only. The beams do not have any shear reinforcement. The software used for the fracture-plastic model of the reinforced concrete is the ATENA.

  13. Development of Multiscale Materials Modeling Techniques and Coarse- Graining Strategies for Predicting Materials Degradation in Extreme Irradiation Environments

    Energy Technology Data Exchange (ETDEWEB)

    Wirth, Brian [Univ. of Tennessee, Knoxville, TN (United States)

    2016-01-12

    Exposure of metallic structural materials to irradiation environments results in significant microstructural evolution, property changes and performance degradation, which limits the extended operation of current generation light water reactors and restricts the design of advanced fission and fusion reactors [1-8]. This effect of irradiation on materials microstructure and properties is a classic example of an inherently multiscale phenomenon, as schematically illustrated in Figure 1a. Pertinent processes range from the atomic nucleus to structural component length scales, spanning more than 15 orders of magnitude. Time scales bridge more than 22 orders of magnitude, with the shortest being less than a femtosecond [1,8]. Further, the mix of radiation-induced features formed and the corresponding property degradation depend on a wide range of material and irradiation variables. This emphasizes the importance of closely integrating models with high-resolution experimental characterization of the evolving radiation- damaged microstructure, including measurements performed in-situ during irradiation. In this article, we review some recent successes through the use of closely coordinated modeling and experimental studies of the defect cluster evolution in irradiated body-centered cubic materials, followed by a discussion of outstanding challenges still to be addressed, which are necessary for the development of comprehensive models of radiation effects in structural materials.

  14. An integrated production-inventory model for food products adopting a general raw material procurement policy

    Science.gov (United States)

    Fauza, G.; Prasetyo, H.; Amanto, B. S.

    2018-05-01

    Studies on an integrated production-inventory model for deteriorating items have been done extensively. Most of the studies define deterioration as physical depletion of some inventories over time. This definition may not represent the deterioration characteristics of food products. The quality of food production decreases over time while the quantity remains the same. Further, in the existing models, the raw material is replenished several times (or at least once) within one production cycle. In food industries, however, a food company, for several reasons (e.g., the seasonal raw materials, discounted price, etc.) sometimes will get more benefit if it orders raw materials in a large quantity. Considering this fact, this research, therefore, is aimed at developing a more representative inventory model by (i) considering the quality losses in food and (ii) adopting a general raw material procurement policy. A mathematical model is established to represent the proposed policy in which the total profit of the system is the objective function. To evaluate the performance of the model, a numerical test was conducted. The numerical test indicates that the developed model has better performance, i.e., the total profit is 2.3% higher compared to the existing model.

  15. Mechanical strength model for plastic bonded granular materials at high strain rates and large strains

    International Nuclear Information System (INIS)

    Browning, R.V.; Scammon, R.J.

    1998-01-01

    Modeling impact events on systems containing plastic bonded explosive materials requires accurate models for stress evolution at high strain rates out to large strains. For example, in the Steven test geometry reactions occur after strains of 0.5 or more are reached for PBX-9501. The morphology of this class of materials and properties of the constituents are briefly described. We then review the viscoelastic behavior observed at small strains for this class of material, and evaluate large strain models used for granular materials such as cap models. Dilatation under shearing deformations of the PBX is experimentally observed and is one of the key features modeled in cap style plasticity theories, together with bulk plastic flow at high pressures. We propose a model that combines viscoelastic behavior at small strains but adds intergranular stresses at larger strains. A procedure using numerical simulations and comparisons with results from flyer plate tests and low rate uniaxial stress tests is used to develop a rough set of constants for PBX-9501. Comparisons with the high rate flyer plate tests demonstrate that the observed characteristic behavior is captured by this viscoelastic based model. copyright 1998 American Institute of Physics

  16. Multiphase flow modeling of molten material-vapor-liquid mixtures in thermal nonequilibrium

    International Nuclear Information System (INIS)

    Park, Ik Kyu; Park, Goon Cherl; Bang, Kwang Hyun

    2000-01-01

    This paper presents a numerical model of multiphase flow of the mixtures of molten material-liquid-vapor, particularly in thermal nonequilibrium. It is a two-dimensional, transient, three-fluid model in Eulerian coordinates. The equations are solved numerically using the finite difference method that implicitly couples the rates of phase changes, momentum, and energy exchange to determine the pressure, density, and velocity fields. To examine the model's ability to predict an experimental data, calculations have been performed for tests of pouring hot particles and molten material into a water pool. The predictions show good agreement with the experimental data. It appears, however, that the interfacial heat transfer and breakup of molten material need improved models that can be applied to such high temperature, high pressure, multiphase flow conditions

  17. Modeling of the interfacial separation work in relation to impurity concentration in adjoining materials

    Science.gov (United States)

    Alekseev, Ilia M.; Makhviladze, Tariel M.; Minushev, Airat Kh.; Sarychev, Mikhail E.

    2010-02-01

    On the basis of the general thermodynamic approach developed in a model describing the influence of point defects on the separation work at an interface of solid materials is developed. The kinetic equations describing the defect exchange between the interface and the material bulks are formulated. The model have been applied to the case when joined materials contain such point defects as impurity atoms (interstitial and substitutional), concretized the main characteristic parameters required for a numerical modeling as well as clarified their domains of variability. The results of the numerical modeling concerning the dependences on impurity concentrations and the temperature dependences are obtained and analyzed. Particularly, the effects of interfacial strengthening and adhesion incompatibility predicted analytically for the case of impurity atoms are verified and analyzed.

  18. Material flows and economic models: an analytical comparison of SFA, LCA and partial equilibrium models

    NARCIS (Netherlands)

    Bouman, M.B.; Heijungs, R.; van der Voet, E.; van den Bergh, J.C.J.M.; Huppes, G.

    2000-01-01

    The growing concern for environmental problems in the current economy has spurred the study of the way materials and substances flow through the economy, resulting in many different types of analysis. Since all of these have their merits and shortcomings, much of the present theoretical research

  19. Earthquake induced rock shear through a deposition hole. Modelling of three model tests scaled 1:10. Verification of the bentonite material model and the calculation technique

    Energy Technology Data Exchange (ETDEWEB)

    Boergesson, Lennart (Clay Technology AB, Lund (Sweden)); Hernelind, Jan (5T Engineering AB, Vaesteraas (Sweden))

    2010-11-15

    Three model shear tests of very high quality simulating a horizontal rock shear through a deposition hole in the centre of a canister were performed 1986. The tests and the results are described by /Boergesson 1986/. The tests simulated a deposition hole in the scale 1:10 with reference density of the buffer, very stiff confinement simulating the rock, and a solid bar of copper simulating the canister. The three tests were almost identical with exception of the rate of shear, which was varied between 0.031 and 160 mm/s, i.e. with a factor of more than 5,000 and the density of the bentonite, which differed slightly. The tests were very well documented. Shear force, shear rate, total stress in the bentonite, strain in the copper and the movement of the top of the simulated canister were measured continuously during the shear. After finished shear the equipment was dismantled and careful sampling of the bentonite with measurement of water ratio and density were made. The deformed copper 'canister' was also carefully measured after the test. The tests have been modelled with the finite element code Abaqus with the same models and techniques that were used for the full scale scenarios in SR-Site. The results have been compared with the measured results, which has yielded very valuable information about the relevancy of the material models and the modelling technique. An elastic-plastic material model was used for the bentonite where the stress-strain relations have been derived from laboratory tests. The material model is made a function of both the density and the strain rate at shear. Since the shear is fast and takes place under undrained conditions, the density is not changed during the tests. However, strain rate varies largely with both the location of the elements and time. This can be taken into account in Abaqus by making the material model a function of the strain rate for each element. A similar model, based on tensile tests on the copper used in

  20. Geometric Modeling of Cellular Materials for Additive Manufacturing in Biomedical Field: A Review

    Directory of Open Access Journals (Sweden)

    Gianpaolo Savio

    2018-01-01

    Full Text Available Advances in additive manufacturing technologies facilitate the fabrication of cellular materials that have tailored functional characteristics. The application of solid freeform fabrication techniques is especially exploited in designing scaffolds for tissue engineering. In this review, firstly, a classification of cellular materials from a geometric point of view is proposed; then, the main approaches on geometric modeling of cellular materials are discussed. Finally, an investigation on porous scaffolds fabricated by additive manufacturing technologies is pointed out. Perspectives in geometric modeling of scaffolds for tissue engineering are also proposed.

  1. 3D continuum phonon model for group-IV 2D materials

    DEFF Research Database (Denmark)

    Willatzen, Morten; Lew Yan Voon, Lok C.; Gandi, Appala Naidu

    2017-01-01

    . In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained......, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included....

  2. Geometric Modeling of Cellular Materials for Additive Manufacturing in Biomedical Field: A Review.

    Science.gov (United States)

    Savio, Gianpaolo; Rosso, Stefano; Meneghello, Roberto; Concheri, Gianmaria

    2018-01-01

    Advances in additive manufacturing technologies facilitate the fabrication of cellular materials that have tailored functional characteristics. The application of solid freeform fabrication techniques is especially exploited in designing scaffolds for tissue engineering. In this review, firstly, a classification of cellular materials from a geometric point of view is proposed; then, the main approaches on geometric modeling of cellular materials are discussed. Finally, an investigation on porous scaffolds fabricated by additive manufacturing technologies is pointed out. Perspectives in geometric modeling of scaffolds for tissue engineering are also proposed.

  3. Geometric Modeling of Cellular Materials for Additive Manufacturing in Biomedical Field: A Review

    Science.gov (United States)

    Rosso, Stefano; Meneghello, Roberto; Concheri, Gianmaria

    2018-01-01

    Advances in additive manufacturing technologies facilitate the fabrication of cellular materials that have tailored functional characteristics. The application of solid freeform fabrication techniques is especially exploited in designing scaffolds for tissue engineering. In this review, firstly, a classification of cellular materials from a geometric point of view is proposed; then, the main approaches on geometric modeling of cellular materials are discussed. Finally, an investigation on porous scaffolds fabricated by additive manufacturing technologies is pointed out. Perspectives in geometric modeling of scaffolds for tissue engineering are also proposed. PMID:29487626

  4. A MULTISCALE FRAMEWORK FOR THE STOCHASTIC ASSIMILATION AND MODELING OF UNCERTAINTY ASSOCIATED NCF COMPOSITE MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    Mehrez, Loujaine [University of Southern California; Ghanem, Roger [University of Southern California; McAuliffe, Colin [Altair Engineering, Inc.; Aitharaju, Venkat [General Motors; Rodgers, William [General Motors

    2016-06-06

    multiscale framework to construct stochastic macroscopic constitutive material models is proposed. A spectral projection approach, specifically polynomial chaos expansion, has been used to construct explicit functional relationships between the homogenized properties and input parameters from finer scales. A homogenization engine embedded in Multiscale Designer, software for composite materials, has been used for the upscaling process. The framework is demonstrated using non-crimp fabric composite materials by constructing probabilistic models of the homogenized properties of a non-crimp fabric laminate in terms of the input parameters together with the homogenized properties from finer scales.

  5. Towards a dynamic assessment of raw materials criticality: Linking agent-based demand — With material flow supply modelling approaches

    International Nuclear Information System (INIS)

    Knoeri, Christof; Wäger, Patrick A.; Stamp, Anna; Althaus, Hans-Joerg; Weil, Marcel

    2013-01-01

    Emerging technologies such as information and communication-, photovoltaic- or battery technologies are expected to increase significantly the demand for scarce metals in the near future. The recently developed methods to evaluate the criticality of mineral raw materials typically provide a ‘snapshot’ of the criticality of a certain material at one point in time by using static indicators both for supply risk and for the impacts of supply restrictions. While allowing for insights into the mechanisms behind the criticality of raw materials, these methods cannot account for dynamic changes in products and/or activities over time. In this paper we propose a conceptual framework intended to overcome these limitations by including the dynamic interactions between different possible demand and supply configurations. The framework integrates an agent-based behaviour model, where demand emerges from individual agent decisions and interaction, into a dynamic material flow model, representing the materials' stocks and flows. Within the framework, the environmental implications of substitution decisions are evaluated by applying life-cycle assessment methodology. The approach makes a first step towards a dynamic criticality assessment and will enhance the understanding of industrial substitution decisions and environmental implications related to critical metals. We discuss the potential and limitation of such an approach in contrast to state-of-the-art methods and how it might lead to criticality assessments tailored to the specific circumstances of single industrial sectors or individual companies. - Highlights: ► Current criticality assessment methods provide a ‘snapshot’ at one point in time. ► They do not account for dynamic interactions between demand and supply. ► We propose a conceptual framework to overcomes these limitations. ► The framework integrates an agent-based behaviour model with a dynamic material flow model. ► The approach proposed makes

  6. Development of an Input Suite for an Orthotropic Composite Material Model

    Science.gov (United States)

    Hoffarth, Canio; Shyamsunder, Loukham; Khaled, Bilal; Rajan, Subramaniam; Goldberg, Robert K.; Carney, Kelly S.; Dubois, Paul; Blankenhorn, Gunther

    2017-01-01

    An orthotropic three-dimensional material model suitable for use in modeling impact tests has been developed that has three major components elastic and inelastic deformations, damage and failure. The material model has been implemented as MAT213 into a special version of LS-DYNA and uses tabulated data obtained from experiments. The prominent features of the constitutive model are illustrated using a widely-used aerospace composite the T800S3900-2B[P2352W-19] BMS8-276 Rev-H-Unitape fiber resin unidirectional composite. The input for the deformation model consists of experimental data from 12 distinct experiments at a known temperature and strain rate: tension and compression along all three principal directions, shear in all three principal planes, and off axis tension or compression tests in all three principal planes, along with other material constants. There are additional input associated with the damage and failure models. The steps in using this model are illustrated composite characterization tests, verification tests and a validation test. The results show that the developed and implemented model is stable and yields acceptably accurate results.

  7. A Coupled Damage and Reaction Model for Simulating Energetic Material Response to Impact Hazards

    International Nuclear Information System (INIS)

    BAER, MELVIN R.; DRUMHELLER, D.S.; MATHESON, E.R.

    1999-01-01

    The Baer-Nunziato multiphase reactive theory for a granulated bed of energetic material is extended to allow for dynamic damage processes, that generate new surfaces as well as porosity. The Second Law of Thermodynamics is employed to constrain the constitutive forms of the mass, momentum, and energy exchange functions as well as those for the mechanical damage model ensuring that the models will be dissipative. The focus here is on the constitutive forms of the exchange functions. The mechanical constitutive modeling is discussed in a companion paper. The mechanical damage model provides dynamic surface area and porosity information needed by the exchange functions to compute combustion rates and interphase momentum and energy exchange rates. The models are implemented in the CTH shock physics code and used to simulate delayed detonations due to impacts in a bed of granulated energetic material and an undamaged cylindrical sample

  8. Micromechanical analysis of nanocomposites using 3D voxel based material model

    DEFF Research Database (Denmark)

    Mishnaevsky, Leon

    2012-01-01

    A computational study on the effect of nanocomposite structures on the elastic properties is carried out with the use of the 3D voxel based model of materials and the combined Voigt–Reuss method. A hierarchical voxel based model of a material reinforced by an array of exfoliated and intercalated...... nanoclay platelets surrounded by interphase layers is developed. With this model, the elastic properties of the interphase layer are estimated using the inverse analysis. The effects of aspect ratio, intercalation and orientation of nanoparticles on the elastic properties of the nanocomposites are analyzed....... For modeling the damage in nanocomposites with intercalated structures, “four phase” model is suggested, in which the strength of “intrastack interphase” is lower than that of “outer” interphase around the nanoplatelets. Analyzing the effect of nanoreinforcement in the matrix on the failure probability...

  9. The Risoe model for calculating the consequences of the release of radioactive material to the atmosphere

    International Nuclear Information System (INIS)

    Thykier-Nielsen, S.

    1980-07-01

    A brief description is given of the model used at Risoe for calculating the consequences of releases of radioactive material to the atmosphere. The model is based on the Gaussian plume model, and it provides possibilities for calculation of: doses to individuals, collective doses, contamination of the ground, probability distribution of doses, and the consequences of doses for give dose-risk relationships. The model is implemented as a computer program PLUCON2, written in ALGOL for the Burroughs B6700 computer at Risoe. A short description of PLUCON2 is given. (author)

  10. Hysteretic recurrent neural networks: a tool for modeling hysteretic materials and systems

    International Nuclear Information System (INIS)

    Veeramani, Arun S; Crews, John H; Buckner, Gregory D

    2009-01-01

    This paper introduces a novel recurrent neural network, the hysteretic recurrent neural network (HRNN), that is ideally suited to modeling hysteretic materials and systems. This network incorporates a hysteretic neuron consisting of conjoined sigmoid activation functions. Although similar hysteretic neurons have been explored previously, the HRNN is unique in its utilization of simple recurrence to 'self-select' relevant activation functions. Furthermore, training is facilitated by placing the network weights on the output side, allowing standard backpropagation of error training algorithms to be used. We present two- and three-phase versions of the HRNN for modeling hysteretic materials with distinct phases. These models are experimentally validated using data collected from shape memory alloys and ferromagnetic materials. The results demonstrate the HRNN's ability to accurately generalize hysteretic behavior with a relatively small number of neurons. Additional benefits lie in the network's ability to identify statistical information concerning the macroscopic material by analyzing the weights of the individual neurons

  11. Biomass for energy or materials? A Western European MARKAL MATTER 1.0 model characterization

    International Nuclear Information System (INIS)

    Gielen, D.J.; Gerlagh, T.; Bos, A.J.M.

    1998-12-01

    The structure and input data for the biomass module of the MATTER 1.0 model, a MARKAL energy and materials systems engineering model for Western Europe, is discussed. This model is used for development of energy and materials strategies for greenhouse gas emission reduction. Preliminary biomass results are presented in order to identify key processes and key parameters that deserve further analysis. The results show that the production of biomaterials is an attractive option for the reduction of greenhouse gas emissions. Biomaterials can substitute materials which require a lot of energy for production or they can substitute fossil fuel feedstocks. Increased biomaterials production will result in increasing amounts of waste biomass which can be used for energy production. An increase of the use of biomass for the production of materials needs more attention in the forthcoming BRED analysis. 93 refs

  12. Modeling of AA5083 Material-Microstructure Evolution During Butt Friction-Stir Welding

    Science.gov (United States)

    Grujicic, M.; Arakere, G.; Yalavarthy, H. V.; He, T.; Yen, C.-F.; Cheeseman, B. A.

    2010-07-01

    A concise yet a fairly comprehensive overview of the friction stir welding (FSW) process is provided. This is followed by a computational investigation in which FSW behavior of a prototypical solution-strengthened and strain-hardened aluminum alloy, AA5083-H131, is modeled using a fully coupled thermo-mechanical finite-element procedure developed in our prior study. Particular attention is given to proper modeling of the welding work-piece material behavior during the FSW process. Specifically, competition and interactions between plastic-deformation and dynamic-recrystallization processes are considered to properly account for the material-microstructure evolution in the weld nugget zone. The results showed that with proper modeling of the material behavior under high-temperature/severe-plastic-deformation conditions, significantly improved agreement can be attained between the computed and measured post-FSW residual-stress and material-strength distribution results.

  13. SCDAP/RELAP5 modeling of movement of melted material through porous debris in lower head

    International Nuclear Information System (INIS)

    Siefken, L. J.; Harvego, E. A.

    2000-01-01

    A model is described for the movement of melted metallic material through a ceramic porous debris bed. The model is designed for the analysis of severe accidents in LWRs, wherein melted core plate material may slump onto the top of a porous bed of relocated core material supported by the lower head. The permeation of the melted core plate material into the porous debris bed influences the heatup of the debris bed and the heatup of the lower head supporting the debris. A model for mass transport of melted metallic material is applied that includes terms for viscosity and turbulence but neglects inertial and capillary terms because of their small value relative to gravity and viscous terms in the momentum equation. The relative permeability and passability of the porous debris are calculated as functions of debris porosity, particle size, and effective saturation. An iterative numerical solution is used to solve the set of nonlinear equations for mass transport. The effective thermal conductivity of the debris is calculated as a function of porosity, particle size, and saturation. The model integrates the equations for mass transport with a model for the two-dimensional conduction of heat through porous debris. The integrated model has been implemented into the SCDAP/RELAP5 code for the analysis of the integrity of LWR lower heads during severe accidents. The results of the model indicate that melted core plate material may permeate to near the bottom of a 1m deep hot porous debris bed supported by the lower head. The presence of the relocated core plate material was calculated to cause a 12% increase in the heat flux on the external surface of the lower head

  14. Material model for shear of the buffer - evaluation of laboratory test results

    International Nuclear Information System (INIS)

    Boergesson, Lennart; Dueck, Ann; Johannesson, Lars-Erik

    2010-12-01

    The report describes the material model of bentonite used for analysing a rock shear through a deposition hole. The old model used in SR-Can has been considerably changed. The new reference model that has been developed for SR-Site is described and motivated. The relevant properties of the buffer that affect the response to a rock shear are (in addition to the bentonite type) the density (which yields a swelling pressure), the shear strength, the stiffness before the maximum shear stress is reached and the shear rate, which also affects the shear strength. Since the shear caused by an earthquake is very fast and the hydraulic conductivity of the bentonite is very low there is no possibility for the pore water in the water saturated bentonite to be redistributed. Since the compressibility of water and particles are negligible, the bentonite can be modelled as a solid material that cannot change volume but only exhibit shear deformations. A proper and simple model that behaves accordingly is a model with von Mises' stress modelled as a function of the strain (stress-strain model). The model is elastic-plastic with an E-modulus that determines the behaviour until the material starts yielding whereupon the plastic strain is modelled as a function of von Mises' stress and added to the elastic strain. Included in the model is also a strain rate dependency of the stress-strain relation, which ranges between the strain rates 10 -6 1/s 3 1/s. The reference material model is derived from a large number of laboratory tests made on different bentonites at different strain rates, densities and with different techniques. Since it cannot be excluded that the exchangeable cat-ions in the Na-bentonite MX-80 is exchanged to calcium-ions the Ca-bentonite Deponit CaN is proposed to be used as reference material. The overall conclusion is that a relevant and probably also slightly conservative material model of Ca-converted MX-80 is derived, presented and well motivated

  15. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Matouš, Karel, E-mail: kmatous@nd.edu [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States); Geers, Marc G.D.; Kouznetsova, Varvara G. [Department of Mechanical Engineering, Eindhoven University of Technology, Eindhoven (Netherlands); Gillman, Andrew [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States)

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  16. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    International Nuclear Information System (INIS)

    Matouš, Karel; Geers, Marc G.D.; Kouznetsova, Varvara G.; Gillman, Andrew

    2017-01-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  17. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    Science.gov (United States)

    Matouš, Karel; Geers, Marc G. D.; Kouznetsova, Varvara G.; Gillman, Andrew

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  18. Experimental studies of dynamic impact response with scale models of lead shielded radioactive material shipping containers

    International Nuclear Information System (INIS)

    Robinson, R.A.; Hadden, J.A.; Basham, S.J.

    1978-01-01

    Preliminary experimental studies of dynamic impact response of scale models of lead-shielded radioactive material shipping containers are presented. The objective of these studies is to provide DOE/ECT with a data base to allow the prediction of a rational margin of confidence in overviewing and assessing the adequacy of the safety and environmental control provided by these shipping containers. Replica scale modeling techniques were employed to predict full scale response with 1/8, 1/4, and 1/2 scale models of shipping containers that are used in the shipment of spent nuclear fuel and high level wastes. Free fall impact experiments are described for scale models of plain cylindrical stainless steel shells, stainless steel shells filled with lead, and replica scale models of radioactive material shipping containers. Dynamic induced strain and acceleration measurements were obtained at several critical locations on the models. The models were dropped from various heights, attitudes to the impact surface, with and without impact limiters and at uniform temperatures between -40 and 175 0 C. In addition, thermal expansion and thermal gradient induced strains were measured at -40 and 175 0 C. The frequency content of the strain signals and the effect of different drop pad compositions and stiffness were examined. Appropriate scale modeling laws were developed and scaling techniques were substantiated for predicting full scale response by comparison of dynamic strain data for 1/8, 1/4, and 1/2 scale models with stainless steel shells and lead shielding

  19. Constitutive Relation of Engineering Material Based on SIR Model and HAM

    Directory of Open Access Journals (Sweden)

    Haoxiang He

    2014-01-01

    Full Text Available As an epidemic mathematical model, the SIR model represents the transition of the Susceptible, Infected, and Recovered. The profound implication of the SIR model is viewed as the propagation and dynamic evolutionary process of the different internal components and the characteristics in a complex system subject to external effect. The uniaxial stress-strain curve of engineering material represents the basic constitutive relation, which also represents the damage propagation in the units of the damaged member. Hence, a novel dynamic stress-strain model is established based on the SIR model. The analytical solution and the approximate solution for the proposed model are represented according to the homotopy analysis method (HAM, and the relationship of the solution and the size effect and the strain rate is discussed. In addition, an experiment on the size effect of confined concrete is carried out and the solution of SIR model is suitable for simulation. The results show that the mechanical mechanism of the parameters of the uniaxial stress-strain model proposed in this paper reflects the actual characteristics of the materials. The solution of the SIR model can fully and accurately show the change of the mechanical performance and the influence of the size effect and the strain rate.

  20. Model Kassel - more than waste disposal. Kassel days of raw materials; Kasseler Modell - mehr als Abfallentsorgung. Kasseler Wertstofftage

    Energy Technology Data Exchange (ETDEWEB)

    Urban, Arnd I.; Halm, Gerhard (eds.)

    2009-07-01

    Within the meeting at 13th and 14th May, 2009 in Moevenpick Hotel Kassel (Federal Republic of Germany), the following lectures were held: (1) Future waste management between hygienic of housing projects and production of secondary raw materials (Henning Friege); (2) Waste management in Hessen (Edgar Freund); (3) Legal evaluation of model experiments - Regulation of packaging and agreement of coordination (Hartmut Gassner); (4) Model experiments according to alternative recording systems - an actual review (Gabriele Becker); (5) Experiences with the system Yellow Tun Plus in Leipzig and Berlin (Ruediger Oetjen-Dehne); (6) Green Tin Plus - An alternative recording system for recyclable materials (Alfred Ehrhard); (7) ''Sack in a container'' - the trend-setting system of disposal (Michael Wieczorek); (8) Municipal motives and targets (Thomas-Erik Junge); (9) Project ''Wet and dry tun'' Kassel (Gerhard Halm); (10) Process engineering investigation and economic-ecological evaluation of the Kassel model (Arnd I. Urban, Ramona Schroeer); (11) Implementation and experiences in te area of collection with the system ''Wet and dry tun'' (Stefan Stremme, Katja Weiss); (12) First experiences with the utilization of wet and dry material flows from the test area Kassel (Ramona Schroeer, Niklas Schiel); (13) Possibilities and boundary conditions of a recycling of raw materials from waste blends (Joachim Christiani); (14) Possibilities of a waste incinerator as a central component in the waste management of the center of disposal Pohlsche Heide at Minden Luebbecke (Thomas Kropp); (15) The other tuns (Helmut Rechberger).

  1. A diffusivity model for predicting VOC diffusion in porous building materials based on fractal theory.

    Science.gov (United States)

    Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping

    2015-12-15

    Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Hyperspectral material identification on radiance data using single-atmosphere or multiple-atmosphere modeling

    Science.gov (United States)

    Mariano, Adrian V.; Grossmann, John M.

    2010-11-01

    Reflectance-domain methods convert hyperspectral data from radiance to reflectance using an atmospheric compensation model. Material detection and identification are performed by comparing the compensated data to target reflectance spectra. We introduce two radiance-domain approaches, Single atmosphere Adaptive Cosine Estimator (SACE) and Multiple atmosphere ACE (MACE) in which the target reflectance spectra are instead converted into sensor-reaching radiance using physics-based models. For SACE, known illumination and atmospheric conditions are incorporated in a single atmospheric model. For MACE the conditions are unknown so the algorithm uses many atmospheric models to cover the range of environmental variability, and it approximates the result using a subspace model. This approach is sometimes called the invariant method, and requires the choice of a subspace dimension for the model. We compare these two radiance-domain approaches to a Reflectance-domain ACE (RACE) approach on a HYDICE image featuring concealed materials. All three algorithms use the ACE detector, and all three techniques are able to detect most of the hidden materials in the imagery. For MACE we observe a strong dependence on the choice of the material subspace dimension. Increasing this value can lead to a decline in performance.

  3. Material model of pelvic bone based on modal analysis: a study on the composite bone.

    Science.gov (United States)

    Henyš, Petr; Čapek, Lukáš

    2017-02-01

    Digital models based on finite element (FE) analysis are widely used in orthopaedics to predict the stress or strain in the bone due to bone-implant interaction. The usability of the model depends strongly on the bone material description. The material model that is most commonly used is based on a constant Young's modulus or on the apparent density of bone obtained from computer tomography (CT) data. The Young's modulus of bone is described in many experimental works with large variations in the results. The concept of measuring and validating the material model of the pelvic bone based on modal analysis is introduced in this pilot study. The modal frequencies, damping, and shapes of the composite bone were measured precisely by an impact hammer at 239 points. An FE model was built using the data pertaining to the geometry and apparent density obtained from the CT of the composite bone. The isotropic homogeneous Young's modulus and Poisson's ratio of the cortical and trabecular bone were estimated from the optimisation procedure including Gaussian statistical properties. The performance of the updated model was investigated through the sensitivity analysis of the natural frequencies with respect to the material parameters. The maximal error between the numerical and experimental natural frequencies of the bone reached 1.74 % in the first modal shape. Finally, the optimised parameters were matched with the data sheets of the composite bone. The maximal difference between the calibrated material properties and that obtained from the data sheet was 34 %. The optimisation scheme of the FE model based on the modal analysis data provides extremely useful calibration of the FE models with the uncertainty bounds and without the influence of the boundary conditions.

  4. Debris flow analysis with a one dimensional dynamic run-out model that incorporates entrained material

    Science.gov (United States)

    Luna, Byron Quan; Remaître, Alexandre; van Asch, Theo; Malet, Jean-Philippe; van Westen, Cees

    2010-05-01

    Estimating the magnitude and the intensity of rapid landslides like debris flows is fundamental to evaluate quantitatively the hazard in a specific location. Intensity varies through the travelled course of the flow and can be described by physical features such as deposited volume, velocities, height of the flow, impact forces and pressures. Dynamic run-out models are able to characterize the distribution of the material, its intensity and define the zone where the elements will experience an impact. These models can provide valuable inputs for vulnerability and risk calculations. However, most dynamic run-out models assume a constant volume during the motion of the flow, ignoring the important role of material entrained along its path. Consequently, they neglect that the increase of volume enhances the mobility of the flow and can significantly influence the size of the potential impact area. An appropriate erosion mechanism needs to be established in the analyses of debris flows that will improve the results of dynamic modeling and consequently the quantitative evaluation of risk. The objective is to present and test a simple 1D debris flow model with a material entrainment concept based on limit equilibrium considerations and the generation of excess pore water pressure through undrained loading of the in situ bed material. The debris flow propagation model is based on a one dimensional finite difference solution of a depth-averaged form of the Navier-Stokes equations of fluid motions. The flow is treated as a laminar one phase material, which behavior is controlled by a visco-plastic Coulomb-Bingham rheology. The model parameters are evaluated and the model performance is tested on a debris flow event that occurred in 2003 in the Faucon torrent (Southern French Alps).

  5. Formulation and computational aspects of plasticity and damage models with application to quasi-brittle materials

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Z.; Schreyer, H.L. [New Mexico Engineering Research Institute, Albuquerque, NM (United States)

    1995-09-01

    The response of underground structures and transportation facilities under various external loadings and environments is critical for human safety as well as environmental protection. Since quasi-brittle materials such as concrete and rock are commonly used for underground construction, the constitutive modeling of these engineering materials, including post-limit behaviors, is one of the most important aspects in safety assessment. From experimental, theoretical, and computational points of view, this report considers the constitutive modeling of quasi-brittle materials in general and concentrates on concrete in particular. Based on the internal variable theory of thermodynamics, the general formulations of plasticity and damage models are given to simulate two distinct modes of microstructural changes, inelastic flow and degradation of material strength and stiffness, that identify the phenomenological nonlinear behaviors of quasi-brittle materials. The computational aspects of plasticity and damage models are explored with respect to their effects on structural analyses. Specific constitutive models are then developed in a systematic manner according to the degree of completeness. A comprehensive literature survey is made to provide the up-to-date information on prediction of structural failures, which can serve as a reference for future research.

  6. Analytical Modeling of Hard-Coating Cantilever Composite Plate considering the Material Nonlinearity of Hard Coating

    Directory of Open Access Journals (Sweden)

    Wei Sun

    2015-01-01

    Full Text Available Due to the material nonlinearity of hard coating, the coated structure produces the nonlinear dynamical behaviors of variable stiffness and damping, which make the modeling of hard-coating composite structure become a challenging task. In this study, the polynomial was adopted to characterize this material nonlinearity and an analytical modeling method was developed for the hard-coating composite plate. Firstly, to relate the hard-coating material parameters obtained by test and the analytical model, the expression of equivalent strain of composite plate was derived. Then, the analytical model of hard-coating composite plate was created by energy method considering the material nonlinearity of hard coating. Next, using the Newton-Raphson method to solve the vibration response and resonant frequencies of composite plate and a specific calculation procedure was also proposed. Finally, a cantilever plate coated with MgO + Al2O3 hard coating was chosen as study case; the vibration response and resonant frequencies of composite plate were calculated using the proposed method. The calculation results were compared with the experiment and general linear calculation, and the correctness of the created model was verified. The study shows the proposed method can still maintain an acceptable precision when the material nonlinearity of hard coating is stronger.

  7. Material cycling solar system modeled ecosystem; Seitaikei wo model to shita busshitsu junkangata solar system

    Energy Technology Data Exchange (ETDEWEB)

    Sato, M [Hachinohe Institute of Technology, Aomori (Japan)

    1996-10-27

    It is proposed to establish an integrated system close to a natural ecosystem for an industrial complex, taking that in Hachinohe City, Aomori Pref. as the conceptual site. It is a system in which materials are recycled by solar energy and industrial waste heat for a complex food industry. The conceptual site, although blessed with various marine products, are sometimes attacked by cold weather. Waste heat from a 250,000kW power plant, if transported by EHD heat pipes to the site, could provide roughly 400 times the heat required for production of agricultural and marine products, such as cabbages and fish meat. The waste heat, coupled with solar energy, should solve the problems resulting from hot waste water, if they could be utilized for the industrial purposes. The food industrial site that produces agricultural and marine products is considered to be suited as the center of the solar industrial complex incorporating farms. 5 refs., 3 figs.

  8. Application of micromechanical models of ductile fracture initiation to reactor pressure vessel materials

    International Nuclear Information System (INIS)

    Chaouadi, R.; Walle, E. van; Fabry, A.; Velde, J. van de; Meester, P. de

    1996-01-01

    The aim of the current study is the application of local micromechanical models to predict crack initiation in ductile materials. Two reactor pressure vessel materials have been selected for this study: JRQ IAEA monitor base metal (A533B Cl.1) and Doel-IV weld material. Charpy impact tests have been performed in both un-irradiated and irradiated conditions. In addition to standard tensile tests, notched tensile specimens have been tested. The upper shelf energy of the weld material remains almost un-affected by irradiation, whereas a decrease of 20% is detected for the base metal. Accordingly, the tensile properties of the weld material do not reveal a clear irradiation effect on the yield and ultimate stresses, this in contrast to the base material flow properties. The tensile tests have been analyzed in terms of micromechanical models. A good correlation is found between the standard tests and the micromechanical models, that are able to predict the ductile damage evolution in these materials. Additional information on the ductility behavior of these materials is revealed by this micromechanical analysis

  9. Statistical models for thermal ageing of steel materials in nuclear power plants

    International Nuclear Information System (INIS)

    Persoz, M.

    1996-01-01

    Some category of steel materials in nuclear power plants may be subjected to thermal ageing, whose extent depends on the steel chemical composition and the ageing parameters, i.e. temperature and duration. This ageing affects the 'impact strength' of the materials, which is a mechanical property. In order to assess the residual lifetime of these components, a probabilistic study has been launched, which takes into account the scatter over the input parameters of the mechanical model. Predictive formulae for estimating the impact strength of aged materials are important input data of the model. A data base has been created with impact strength results obtained from an ageing program in laboratory and statistical treatments have been undertaken. Two kinds of model have been developed, with non linear regression methods (PROC NLIN, available in SAS/STAT). The first one, using a hyperbolic tangent function, is partly based on physical considerations, and the second one, of an exponential type, is purely statistically built. The difficulties consist in selecting the significant parameters and attributing initial values to the coefficients, which is a requirement of the NLIN procedure. This global statistical analysis has led to general models that are unction of the chemical variables and the ageing parameters. These models are as precise (if not more) as local models that had been developed earlier for some specific values of ageing temperature and ageing duration. This paper describes the data and the methodology used to build the models and analyses the results given by the SAS system. (author)

  10. Testing and modeling the dynamic response of foam materials for blast protection

    Science.gov (United States)

    Fitek, John H.

    The pressure wave released from an explosion can cause injury to the lungs. A personal armor system concept for blast lung injury protection consists of a polymer foam layer behind a rigid armor plate to be worn over the chest. This research develops a method for testing and modeling the dynamic response of foam materials to be used for down-selection of materials for this application. Constitutive equations for foam materials are incorporated into a lumped parameter model of the combined armor plate and foam system. Impact testing and shock tube testing are used to measure the foam model parameters and validate the model response to a pressure wave load. The plate and foam armor model is then coupled to a model of the human thorax. With a blast pressure wave input, the armor model is evaluated based on how it affects the injury-causing mechanism of chest wall motion. Results show that to reduce chest wall motion, the foam must compress at a relatively constant stress level, which requires a sufficient foam thickness.

  11. Numerical Material Model for Composite Laminates in High-Velocity Impact Simulation

    Directory of Open Access Journals (Sweden)

    Tao Liu

    Full Text Available Abstract A numerical material model for composite laminate, was developed and integrated into the nonlinear dynamic explicit finite element programs as a material user subroutine. This model coupling nonlinear state of equation (EOS, was a macro-mechanics model, which was used to simulate the major mechanical behaviors of composite laminate under high-velocity impact conditions. The basic theoretical framework of the developed material model was introduced. An inverse flyer plate simulation was conducted, which demonstrated the advantage of the developed model in characterizing the nonlinear shock response. The developed model and its implementation were validated through a classic ballistic impact issue, i.e. projectile impacting on Kevlar29/Phenolic laminate. The failure modes and ballistic limit velocity were analyzed, and a good agreement was achieved when comparing with the analytical and experimental results. The computational capacity of this model, for Kevlar/Epoxy laminates with different architectures, i.e. plain-woven and cross-plied laminates, was further evaluated and the residual velocity curves and damage cone were accurately predicted.

  12. Mathematical model of silicon smelting process basing on pelletized charge from technogenic raw materials

    Science.gov (United States)

    Nemchinova, N. V.; Tyutrin, A. A.; Salov, V. M.

    2018-03-01

    The silicon production process in the electric arc reduction furnaces (EAF) is studied using pelletized charge as an additive to the standard on the basis of the generated mathematical model. The results obtained due to the model will contribute to the analysis of the charge components behavior during melting with the achievement of optimum final parameters of the silicon production process. The authors proposed using technogenic waste as a raw material for the silicon production in a pelletized form using liquid glass and aluminum production dust from the electrostatic precipitators as a binder. The method of mathematical modeling with the help of the ‘Selector’ software package was used as a basis for the theoretical study. A model was simulated with the imitation of four furnace temperature zones and a crystalline silicon phase (25 °C). The main advantage of the created model is the ability to analyze the behavior of all burden materials (including pelletized charge) in the carbothermic process. The behavior analysis is based on the thermodynamic probability data of the burden materials interactions in the carbothermic process. The model accounts for 17 elements entering the furnace with raw materials, electrodes and air. The silicon melt, obtained by the modeling, contained 91.73 % wt. of the target product. The simulation results showed that in the use of the proposed combined charge, the recovery of silicon reached 69.248 %, which is in good agreement with practical data. The results of the crystalline silicon chemical composition modeling are compared with the real silicon samples of chemical analysis data, which showed the results of convergence. The efficiency of the mathematical modeling methods in the studying of the carbothermal silicon obtaining process with complex interphase transformations and the formation of numerous intermediate compounds using a pelletized charge as an additive to the traditional one is shown.

  13. Analysis of material flow in metal forming processes by using computer simulation and experiment with model material

    International Nuclear Information System (INIS)

    Kim, Heon Young; Kim, Dong Won

    1993-01-01

    The objective of the present study is to analyze material flow in the metal forming processes by using computer simulation and experiment with model material, plasticine. A UBET program is developed to analyze the bulk flow behaviour of various metal forming problems. The elemental strain-hardening effect is considered in an incremental manner and the element system is automatically regenerated at every deforming step in the program. The material flow behaviour in closed-die forging process with rib-web type cavity are analyzed by UBET and elastic-plastic finite element method, and verified by experiments with plasticine. There were good agreements between simulation and experiment. The effect of corner rounding on material flow behavior is investigated in the analysis of backward extrusion with square die. Flat punch indentation process is simulated by UBET, and the results are compared with that of elastic-plastic finite element method. (Author)

  14. A hierarchical lattice spring model to simulate the mechanics of 2-D materials-based composites

    Directory of Open Access Journals (Sweden)

    Lucas eBrely

    2015-07-01

    Full Text Available In the field of engineering materials, strength and toughness are typically two mutually exclusive properties. Structural biological materials such as bone, tendon or dentin have resolved this conflict and show unprecedented damage tolerance, toughness and strength levels. The common feature of these materials is their hierarchical heterogeneous structure, which contributes to increased energy dissipation before failure occurring at different scale levels. These structural properties are the key to exceptional bioinspired material mechanical properties, in particular for nanocomposites. Here, we develop a numerical model in order to simulate the mechanisms involved in damage progression and energy dissipation at different size scales in nano- and macro-composites, which depend both on the heterogeneity of the material and on the type of hierarchical structure. Both these aspects have been incorporated into a 2-dimensional model based on a Lattice Spring Model, accounting for geometrical nonlinearities and including statistically-based fracture phenomena. The model has been validated by comparing numerical results to continuum and fracture mechanics results as well as finite elements simulations, and then employed to study how structural aspects impact on hierarchical composite material properties. Results obtained with the numerical code highlight the dependence of stress distributions on matrix properties and reinforcement dispersion, geometry and properties, and how failure of sacrificial elements is directly involved in the damage tolerance of the material. Thanks to the rapidly developing field of nanocomposite manufacture, it is already possible to artificially create materials with multi-scale hierarchical reinforcements. The developed code could be a valuable support in the design and optimization of these advanced materials, drawing inspiration and going beyond biological materials with exceptional mechanical properties.

  15. Decision making model for the recovery of useful material resources from wastes

    International Nuclear Information System (INIS)

    Rising, K.H.; Jensen, G.A.; FitzPatrick, V.F.

    1982-06-01

    In the United States, many of the material resources necessary for energy production are imported. Strategic stockpiling of these resources has been a well-known method for reducing the economic and productivity impact of supply interruption in case of emergency. Another viable option is the recovery of valuable materials and recycle of useful products from wastes generated in energy production and industrial processing. The technical feasibility for recovery and recycle, including decontamination of nuclear-related materials, has been proven and demonstrated. The economic feasibility would depend on both the resale and strategic values of the material, the saving from reusing rather than disposing of the material, the reclamation cost, and other factors that may influence the incentive for recovery and recycle. The purpose of the work presented in this paper is to develop a model to identify the economic and other incentives for the reclamation of useful material resources. Using available data to quantify factors such as strategic and resale values, reclamation cost and disposal cost saving, this model calculates the incentive value consisting of the above factors and selects the appropriate reclamation option. Because this model is empirical, there are limitations to its application. However, within the boundary where the model has been tested, it can be a useful tool for the decision maker to evaluate the economic feasibility of reclamation

  16. The review of the modeling methods and numerical analysis software for nanotechnology in material science

    Directory of Open Access Journals (Sweden)

    SMIRNOV Vladimir Alexeevich

    2014-10-01

    Full Text Available Due to the high demand for building materials with universal set of roperties which extend their application area the research efforts are focusing on nanotechnology in material science. The rational combination of theoretical studies, mathematical modeling and simulation can favour reduced resource and time consumption when nanomodified materials are being developed. The development of composite material is based on the principles of system analysis which provides for the necessity of criteria determination and further classification of modeling methods. In this work the criteria of spatial scale, dominant type of interaction and heterogeneity are used for such classification. The presented classification became a framework for analysis of methods and software which can be applied to the development of building materials. For each of selected spatial levels - from atomistic one to macrostructural level of constructional coarsegrained composite – existing theories, modeling algorithms and tools have been considered. At the level of macrostructure which is formed under influence of gravity and exterior forces one can apply probabilistic and geometrical methods to study obtained structure. The existing models are suitable for packing density analysis and solution of percolation problems at the macroscopic level, but there are still no software tools which could be applied in nanotechnology to carry out systematic investigations. At the microstructure level it’s possible to use particle method along with probabilistic and statistical methods to explore structure formation but available software tools are partially suitable for numerical analysis of microstructure models. Therefore, modeling of the microstructure is rather complicated; the model has to include potential of pairwise interaction. After the model has been constructed and parameters of pairwise potential have been determined, many software packages for solution of ordinary

  17. Towards a dynamic assessment of raw materials criticality: linking agent-based demand--with material flow supply modelling approaches.

    Science.gov (United States)

    Knoeri, Christof; Wäger, Patrick A; Stamp, Anna; Althaus, Hans-Joerg; Weil, Marcel

    2013-09-01

    Emerging technologies such as information and communication-, photovoltaic- or battery technologies are expected to increase significantly the demand for scarce metals in the near future. The recently developed methods to evaluate the criticality of mineral raw materials typically provide a 'snapshot' of the criticality of a certain material at one point in time by using static indicators both for supply risk and for the impacts of supply restrictions. While allowing for insights into the mechanisms behind the criticality of raw materials, these methods cannot account for dynamic changes in products and/or activities over time. In this paper we propose a conceptual framework intended to overcome these limitations by including the dynamic interactions between different possible demand and supply configurations. The framework integrates an agent-based behaviour model, where demand emerges from individual agent decisions and interaction, into a dynamic material flow model, representing the materials' stocks and flows. Within the framework, the environmental implications of substitution decisions are evaluated by applying life-cycle assessment methodology. The approach makes a first step towards a dynamic criticality assessment and will enhance the understanding of industrial substitution decisions and environmental implications related to critical metals. We discuss the potential and limitation of such an approach in contrast to state-of-the-art methods and how it might lead to criticality assessments tailored to the specific circumstances of single industrial sectors or individual companies. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. Computational modeling of the behavior of nuclear materials (2). Molecular simulations for nuclear materials. Current situation and future perspective

    International Nuclear Information System (INIS)

    Okita, Taira; Itakura, Mitsuhiro

    2017-01-01

    Molecular simulations for nuclear materials aim to reproduce atomistic-scale phenomena induced by irradiation and infer the change in material properties. In the present work, recent progress in this field is presented. In particular, the following three topics are explained: (1) Quantification of lattice defects formation process induced by fast neutron collision. (2) Identification of dislocation-channeling mechanism induced by interactions between defect clusters and dislocations. (3) Modeling of the three dimensional movement of defect clusters using molecular dynamics and kinetic Monte Carlo simulations. (author)

  19. Application of macro material flow modeling to the decision making process for integrated waste management systems

    International Nuclear Information System (INIS)

    Vigil, S.A.; Holter, G.M.

    1995-04-01

    Computer models have been used for almost a decade to model and analyze various aspects of solid waste management Commercially available models exist for estimating the capital and operating costs of landfills, waste-to-energy facilities and compost systems and for optimizing system performance along a single dimension (e.g. cost or transportation distance). An alternative to the use of currently available models is the more flexible macro material flow modeling approach in which a macro scale or regional level approach is taken. Waste materials are tracked through the complete integrated waste management cycle from generation through recycling and reuse, and finally to ultimate disposal. Such an approach has been applied by the authors to two different applications. The STELLA simulation language (for Macintosh computers) was used to model the solid waste management system of Puerto Rico. The model incorporated population projections for all 78 municipalities in Puerto Rico from 1990 to 2010, solid waste generation factors, remaining life for the existing landfills, and projected startup time for new facilities. The Pacific Northwest Laboratory has used the SimScript simulation language (for Windows computers) to model the management of solid and hazardous wastes produced during cleanup and remediation activities at the Hanford Nuclear Site

  20. Modelling welded material for ultrasonic testing using MINA: Theory and applications

    Science.gov (United States)

    Moysan, J.; Corneloup, G.; Chassignole, B.; Gueudré, C.; Ploix, M. A.

    2012-05-01

    Austenitic steel multi-pass welds exhibit a heterogeneous and anisotropic structure that causes difficulties in the ultrasonic testing. Increasing the material knowledge is a long term research field for LCND laboratory and EDF Les Renardières in France. A specific model has been developed: the MINA model (Modelling an Isotropy from Notebook of Arc welding). Welded material is described in 2D for flat position arc welding with shielded electrode (SMAW) at a functional scale for UT modeling. The grain growth is the result of three physical phenomena: epitaxial growth, influence of temperature gradient, and competition between the grains. The model uses phenomenological rules to combine these three phenomena. A limited number of parameters is used to make the modelling possible from the information written down in a notebook of arc welding. We present all these principles with 10 years' hindsight. To illustrate the model's use, we present conclusions obtained with two recent applications. In conclusion we give also insights on other research topics around this model : inverse problem using a F.E.M. code simulating the ultrasonic propagation, in position welding, 3D prospects, GTAW.

  1. Elasticity of fractal materials using the continuum model with non-integer dimensional space

    Science.gov (United States)

    Tarasov, Vasily E.

    2015-01-01

    Using a generalization of vector calculus for space with non-integer dimension, we consider elastic properties of fractal materials. Fractal materials are described by continuum models with non-integer dimensional space. A generalization of elasticity equations for non-integer dimensional space, and its solutions for the equilibrium case of fractal materials are suggested. Elasticity problems for fractal hollow ball and cylindrical fractal elastic pipe with inside and outside pressures, for rotating cylindrical fractal pipe, for gradient elasticity and thermoelasticity of fractal materials are solved.

  2. Non-local spatial frequency response of photopolymer materials containing chain transfer agents: I. Theoretical modelling

    International Nuclear Information System (INIS)

    Guo, Jinxin; Gleeson, Michael R; Liu, Shui; Sheridan, John T

    2011-01-01

    The non-local photopolymerization driven diffusion (NPDD) model predicts that a reduction in the non-local response length within a photopolymer material will improve its high spatial frequency response. The introduction of a chain transfer agent reduces the average molecular weight of polymer chains formed during free radical polymerization. Therefore a chain transfer agent (CTA) provides a practical method to reduce the non-local response length. An extended NPDD model is presented, which includes the chain transfer reaction and most major photochemical processes. The addition of a chain transfer agent into an acrylamide/polyvinyl alcohol photopolymer material is simulated and the predictions of the model are examined. The predictions of the model are experimentally examined in part II of this paper

  3. Bayesian calibration of thermodynamic parameters for geochemical speciation modeling of cementitious materials

    International Nuclear Information System (INIS)

    Sarkar, S.; Kosson, D.S.; Mahadevan, S.; Meeussen, J.C.L.; Sloot, H. van der; Arnold, J.R.; Brown, K.G.

    2012-01-01

    Chemical equilibrium modeling of cementitious materials requires aqueous–solid equilibrium constants of the controlling mineral phases (K sp ) and the available concentrations of primary components. Inherent randomness of the input and model parameters, experimental measurement error, the assumptions and approximations required for numerical simulation, and inadequate knowledge of the chemical process contribute to uncertainty in model prediction. A numerical simulation framework is developed in this paper to assess uncertainty in K sp values used in geochemical speciation models. A Bayesian statistical method is used in combination with an efficient, adaptive Metropolis sampling technique to develop probability density functions for K sp values. One set of leaching experimental observations is used for calibration and another set is used for comparison to evaluate the applicability of the approach. The estimated probability distributions of K sp values can be used in Monte Carlo simulation to assess uncertainty in the behavior of aqueous–solid partitioning of constituents in cement-based materials.

  4. Surface characteristics modeling and performance evaluation of urban building materials using LiDAR data.

    Science.gov (United States)

    Li, Xiaolu; Liang, Yu

    2015-05-20

    Analysis of light detection and ranging (LiDAR) intensity data to extract surface features is of great interest in remote sensing research. One potential application of LiDAR intensity data is target classification. A new bidirectional reflectance distribution function (BRDF) model is derived for target characterization of rough and smooth surfaces. Based on the geometry of our coaxial full-waveform LiDAR system, the integration method is improved through coordinate transformation to establish the relationship between the BRDF model and intensity data of LiDAR. A series of experiments using typical urban building materials are implemented to validate the proposed BRDF model and integration method. The fitting results show that three parameters extracted from the proposed BRDF model can distinguish the urban building materials from perspectives of roughness, specular reflectance, and diffuse reflectance. A comprehensive analysis of these parameters will help characterize surface features in a physically rigorous manner.

  5. Model for absorption and release of gaseous materials by forest canopies

    International Nuclear Information System (INIS)

    Murphy, C.E. Jr.

    1976-01-01

    A model of the physical processes defining the absorption and release of materials by a forest canopy has been developed. The model deals with the turbulent transport of gaseous materials in the surface boundary layer near the canopy, the turbulent transport in the canopy atmosphere, the transport through the boundary layer near the leaf and soil surface, and the solution of the gaseous materials in intracellular fluids and subsequent diffusion into the leaf cells. The model is used to simulate the uptake of molecular tritium by the forest canopy and the subsequent release of tritiated water. Results of dynamic simulations of tritium uptake and release are compared with data collected at the time of a release of molecular tritium to the atmosphere

  6. Identifying Mechanical Properties of Viscoelastic Materials in Time Domain Using the Fractional Zener Model

    Directory of Open Access Journals (Sweden)

    Ana Paula Delowski Ciniello

    Full Text Available Abstract The present paper aims at presenting a methodology for characterizing viscoelastic materials in time domain, taking into account the fractional Zener constitutive model and the influence of temperature through Williams, Landel, and Ferry’s model. To that effect, a set of points obtained experimentally through uniaxial tensile tests with different constant strain rates is considered. The approach is based on the minimization of the quadratic relative distance between the experimental stress-strain curves and the corresponding ones given by the theoretical model. In order to avoid the local minima in the process of optimization, a hybrid technique based on genetic algorithms and non-linear programming techniques is used. The methodology is applied in the characterization of two different commercial viscoelastic materials. The results indicate that the proposed methodology is effective in identifying thermorheologically simple viscoelastic materials.

  7. Numerical Implementation of the Hoek-Brown Material Model with Strain Hardening

    DEFF Research Database (Denmark)

    Sørensen, Emil Smed; Clausen, Johan; Damkilde, Lars

    2013-01-01

    A numerical implementation of the Hoek-Brown criterion is presented, which is capable of modeling important aspects of the different post-failure behaviors observed in jointed rock mass. This is done by varying the material parameters based on the accumulated plastic strains. The implementation i....... The constitutive model is demonstrated on a simulation of a tunnel excavation and the results are compared with an analytical solution for a tunnel excavation in elastic-brittle rock material.......A numerical implementation of the Hoek-Brown criterion is presented, which is capable of modeling important aspects of the different post-failure behaviors observed in jointed rock mass. This is done by varying the material parameters based on the accumulated plastic strains. The implementation...

  8. Generalized Continuum: from Voigt to the Modeling of Quasi-Brittle Materials

    Directory of Open Access Journals (Sweden)

    Jamile Salim Fuina

    2010-12-01

    Full Text Available This article discusses the use of the generalized continuum theories to incorporate the effects of the microstructure in the nonlinear finite element analysis of quasi-brittle materials and, thus, to solve mesh dependency problems. A description of the problem called numerically induced strain localization, often found in Finite Element Method material non-linear analysis, is presented. A brief historic about the Generalized Continuum Mechanics based models is presented, since the initial work of Voigt (1887 until the more recent studies. By analyzing these models, it is observed that the Cosserat and microstretch approaches are particular cases of a general formulation that describes the micromorphic continuum. After reporting attempts to incorporate the material microstructure in Classical Continuum Mechanics based models, the article shows the recent tendency of doing it according to assumptions of the Generalized Continuum Mechanics. Finally, it presents numerical results which enable to characterize this tendency as a promising way to solve the problem.

  9. Integrated models for plasma/material interaction during loss of plasma confinement

    International Nuclear Information System (INIS)

    Hassanein, A.

    1998-01-01

    A comprehensive computer package, High Energy Interaction with General Heterogeneous Target Systems (HEIGHTS), has been developed to evaluate the damage incurred on plasma-facing materials during loss of plasma confinement. The HEIGHTS package consists of several integrated computer models that follow the start of a plasma disruption at the scrape-off layer (SOL) through the transport of the eroded debris and splashed target materials to nearby locations as a result of the energy deposited. The package includes new models to study turbulent plasma behavior in the SOL and predicts the plasma parameters and conditions at the divertor plate. Full two-dimensional comprehensive radiation magnetohydrodynamic models are coupled with target thermodynamics and liquid hydrodynamics to evaluate the integrated response of plasma-facing materials. A brief description of the HEIGHTS package and its capabilities are given in this work with emphasis on turbulent plasma behavior in the SOL during disruptions

  10. Simulation of recrystallization textures in FCC materials based on a self consistent model

    International Nuclear Information System (INIS)

    Bolmaro, R.E; Roatta, A; Fourty, A.L; Signorelli, J.W; Bertinetti, M.A

    2004-01-01

    The development of re-crystallization textures in FCC polycrystalline materials has been a long lasting scientific problem. The appearance of the so-called cubic component in high stack fault energy laminated FCC materials is not an entirely understood phenomenon. This work approaches the problem using a self- consistent simulation technique of homogenization. The information on first preferential neighbors is used in the model to consider grain boundary energies and intra granular misorientations and to treat the growth of grains and the mobility of the grain boundary. The energies accumulated by deformations are taken as conducting energies of the nucleation and the later growth is statistically governed by the grain boundary energies. The model shows the correct trend for re-crystallization textures obtained from previously simulated deformation textures for high and low stack fault energy FCC materials. The model's topological representation is discussed (CW)

  11. Finite element modeling of deposition of ceramic material during SLM additive manufacturing

    Directory of Open Access Journals (Sweden)

    Chen Qiang

    2016-01-01

    Full Text Available A three dimensional model for material deposition in Selective Laser Melting (SLM with application to Al2O3-ZrO2 eutectic ceramic is presented. As the material is transparent to laser, dopants are added to increase the heat absorption efficiency. Based on Beer-Lambert law, a volumetric heat source model taking into account the material absorption is derived. The Level Set method with multiphase homogenization is used to track the shape of deposed bead and the thermodynamic is coupled to calculate the melting-solidification path. The shrinkage during consolidation from powder to compact medium is modeled by a compressible Newtonian constitutive law. A semi-implicit formulation of surface tension is used, which permits a stable resolution to capture the gas-liquid interface. The formation of droplets is obtained and slight waves of melt pool are observed. The influence of different process parameters on temperature distribution, melt pool profiles and bead shapes is discussed.

  12. Analysis and Modeling of Process of Residual Deformations Accumulation in Soils and Granular Materials

    Science.gov (United States)

    Aleksandrov, A. S.; Dolgih, G. V.; Kalinin, A. L.

    2017-11-01

    It is established that under the influence of repeated loads the process of plastic deformation in soils and discrete materials is hereditary. To perform the mathematical modeling of plastic deformation, the authors applied the integral equation by solution of which they manage to obtain the power and logarithmic dependencies connecting plastic deformation with the number of repeated loads, the parameters of the material and components of the stress tensor in the principal axes. It is shown that these dependences generalize a number of models proposed earlier in Russia and abroad. Based on the analysis of the experimental data obtained during material testing in the dynamic devices of triaxial compression at different values of the stress deviator, the coefficients in the proposed models of deformation are determined. The authors determined the application domain for logarithmic and degree dependences.

  13. Managing critical materials with a technology-specific stocks and flows model.

    Science.gov (United States)

    Busch, Jonathan; Steinberger, Julia K; Dawson, David A; Purnell, Phil; Roelich, Katy

    2014-01-21

    The transition to low carbon infrastructure systems required to meet climate change mitigation targets will involve an unprecedented roll-out of technologies reliant upon materials not previously widespread in infrastructure. Many of these materials (including lithium and rare earth metals) are at risk of supply disruption. To ensure the future sustainability and resilience of infrastructure, circular economy policies must be crafted to manage these critical materials effectively. These policies can only be effective if supported by an understanding of the material demands of infrastructure transition and what reuse and recycling options are possible given the future availability of end-of-life stocks. This Article presents a novel, enhanced stocks and flows model for the dynamic assessment of material demands resulting from infrastructure transitions. By including a hierarchical, nested description of infrastructure technologies, their components, and the materials they contain, this model can be used to quantify the effectiveness of recovery at both a technology remanufacturing and reuse level and a material recycling level. The model's potential is demonstrated on a case study on the roll-out of electric vehicles in the UK forecast by UK Department of Energy and Climate Change scenarios. The results suggest policy action should be taken to ensure Li-ion battery recycling infrastructure is in place by 2025 and NdFeB motor magnets should be designed for reuse. This could result in a reduction in primary demand for lithium of 40% and neodymium of 70%.

  14. Modeling the Behaviour of an Advanced Material Based Smart Landing Gear System for Aerospace Vehicles

    International Nuclear Information System (INIS)

    Varughese, Byji; Dayananda, G. N.; Rao, M. Subba

    2008-01-01

    The last two decades have seen a substantial rise in the use of advanced materials such as polymer composites for aerospace structural applications. In more recent years there has been a concerted effort to integrate materials, which mimic biological functions (referred to as smart materials) with polymeric composites. Prominent among smart materials are shape memory alloys, which possess both actuating and sensory functions that can be realized simultaneously. The proper characterization and modeling of advanced and smart materials holds the key to the design and development of efficient smart devices/systems. This paper focuses on the material characterization; modeling and validation of the model in relation to the development of a Shape Memory Alloy (SMA) based smart landing gear (with high energy dissipation features) for a semi rigid radio controlled airship (RC-blimp). The Super Elastic (SE) SMA element is configured in such a way that it is forced into a tensile mode of high elastic deformation. The smart landing gear comprises of a landing beam, an arch and a super elastic Nickel-Titanium (Ni-Ti) SMA element. The landing gear is primarily made of polymer carbon composites, which possess high specific stiffness and high specific strength compared to conventional materials, and are therefore ideally suited for the design and development of an efficient skid landing gear system with good energy dissipation characteristics. The development of the smart landing gear in relation to a conventional metal landing gear design is also dealt with

  15. A 3D Orthotropic Strain-Rate Dependent Elastic Damage Material Model.

    Energy Technology Data Exchange (ETDEWEB)

    English, Shawn Allen

    2014-09-01

    A three dimensional orthotropic elastic constitutive model with continuum damage and cohesive based fracture is implemented for a general polymer matrix composite lamina. The formulation assumes the possibility of distributed (continuum) damage followed b y localized damage. The current damage activation functions are simply partially interactive quadratic strain criteria . However, the code structure allows for changes in the functions without extraordinary effort. The material model formulation, implementation, characterization and use cases are presented.

  16. A general 3-D nonlinear magnetostrictive constitutive model for soft ferromagnetic materials

    International Nuclear Information System (INIS)

    Zhou Haomiao; Zhou Youhe; Zheng Xiaojing; Ye Qiang; Wei Jing

    2009-01-01

    In this paper, a new general nonlinear magnetostrictive constitutive model is proposed for soft ferromagnetic materials, and it can predict magnetostrictive strain and magnetization curves under various pre-stresses. From the viewpoint of magnetic domain, it is based on the important physical fact that a nonlinear part of the elastic strain produced by magnetic domain wall motion under a pre-stress is responsible for the change of the maximum magnetostrictive strain in accordance with the pre-stress. Then the reduction of magnetostrictive strain from the maximum is caused by the domain rotation. Meanwhile, the magnetization under various pre-stresses in this model is introduced by magnetostrictive effect under the same pre-stress. A simplified 3-D model is put forward by means of linearizing the nonlinear function, i.e. the nonlinear part of the elastic strain produced by domain wall motion, and by using the quartic of magnetization to describe domain rotation. Besides, for the convenience of engineering applications, two-dimensional (plate or film) and one-dimensional (rod) models are also given for isotropic materials and their application ranges are discussed too. In comparison with the experimental data of Kuruzar and Jiles, it is found that this model can predict magnetostrictive strain and magnetization curves under various pre-stresses. The numerical simulation further illustrates that the new model can effectively describe the effects of the pre-stress or residual stress on the magnetization and magnetostrictive strain curves. Additionally, this model can be degenerated to the existing magnetostrictive constitutive model for giant magnetostrictive materials (GMM), i.e. a special soft ferromagnetic material

  17. A reconstruction of Maxwell model for effective thermal conductivity of composite materials

    International Nuclear Information System (INIS)

    Xu, J.Z.; Gao, B.Z.; Kang, F.Y.

    2016-01-01

    Highlights: • Deficiencies were found in classical Maxwell model for effective thermal conductivity. • Maxwell model was reconstructed based on potential mean-field theory. • Reconstructed Maxwell model was extended with particle–particle contact resistance. • Predictions by reconstructed Maxwell model agree excellently with experimental data. - Abstract: Composite materials consisting of high thermal conductive fillers and polymer matrix are often used as thermal interface materials to dissipate heat generated from mechanical and electronic devices. The prediction of effective thermal conductivity of composites remains as a critical issue due to its dependence on considerably factors. Most models for prediction are based on the analog between electric potential and temperature that satisfy the Laplace equation under steady condition. Maxwell was the first to derive the effective electric resistivity of composites by examining the far-field spherical harmonic solution of Laplace equation perturbed by a sphere of different resistivity, and his model was considered as classical. However, a close review of Maxwell’s derivation reveals that there exist several controversial issues (deficiencies) inherent in his model. In this study, we reconstruct the Maxwell model based on a potential mean-field theory to resolve these issues. For composites made of continuum matrix and particle fillers, the contact resistance among particles was introduced in the reconstruction of Maxwell model. The newly reconstructed Maxwell model with contact resistivity as a fitting parameter is shown to fit excellently to experimental data over wide ranges of particle concentration and mean particle diameter. The scope of applicability of the reconstructed Maxwell model is also discussed using the contact resistivity as a parameter.

  18. Modelling transient 3D multi-phase criticality in fluidised granular materials - the FETCH code

    International Nuclear Information System (INIS)

    Pain, C.C.; Gomes, J.L.M.A.; Eaton, M.D.; Ziver, A.K.; Umpleby, A.P.; Oliveira, C.R.E. de; Goddard, A.J.H.

    2003-01-01

    The development and application of a generic model for modelling criticality in fluidised granular materials is described within the Finite Element Transient Criticality (FETCH) code - which models criticality transients in spatial and temporal detail from fundamental principles, as far as is currently possible. The neutronics model in FETCH solves the neutron transport in full phase space with a spherical harmonics angle of travel representation, multi-group in neutron energy, Crank Nicholson based in time stepping, and finite elements in space. The fluids representation coupled with the neutronics model is a two-fluid-granular-temperature model, also finite element fased. A separate fluid is used to represent the liquid/vapour gas and the solid fuel particle phases, respectively. Particle-particle, particle-wall interactions are modelled using a kinetic theory approach on an analogy between the motion of gas molecules subject to binary collisions and granular flows. This model has been extensively validated by comparison with fluidised bed experimental results. Gas-fluidised beds involve particles that are often extremely agitated (measured by granular temperature) and can thus be viewed as a particularly demanding application of the two-fluid model. Liquid fluidised systems are of criticality interest, but these can become demanding with the production of gases (e.g. radiolytic and water vapour) and large fluid/particle velocities in energetic transients. We present results from a test transient model in which fissile material ( 239 Pu) is presented as spherical granules subsiding in water, located in a tank initially at constant temperature and at two alternative over-pressures in order to verify the theoretical model implemented in FETCH. (author)

  19. PREFACE: 1st International Conference on Rheology and Modeling of Materials

    Science.gov (United States)

    Gömze, László A.

    2015-04-01

    Understanding the rheological properties of materials and their rheological behaviors during their manufacturing processes and in their applications in many cases can help to increase the efficiency and competitiveness not only of the finished goods and products but the organizations and societies also. The more scientific supported and prepared organizations develop more competitive products with better thermal, mechanical, physical, chemical and biological properties and the leading companies apply more competitive knowledge, materials, equipment and technology processes. The idea to organize in Hungary the 1st International Conference on Rheology and Modeling of Materials we have received from prospective scientists, physicists, chemists, mathematicians and engineers from Asia, Europe, North and South America including India, Korea, Russia, Turkey, Estonia, France, Italy, United Kingdom, Chile, Mexico and USA. The goals of ic-rmm1 the 1st International Conference on Rheology and Modeling of Materials are the following: • Promote new methods and results of scientific research in the fields of modeling and measurements of rheological properties and behavior of materials under processing and applications. • Change information between the theoretical and applied sciences as well as technical and technological implantations. • Promote the communication between the scientists of different disciplines, nations, countries and continents. The international conference ic-rmm1 provides a platform among the leading international scientists, researchers, PhD students and engineers for discussing recent achievements in measurement, modeling and application of rheology in materials technology and materials science of liquids, melts, solids, crystals and amorphous structures. Among the major fields of interest are the influences of material structures, mechanical stresses temperature and deformation speeds on rheological and physical properties, phase transformation of

  20. Toward Multi-scale Modeling and simulation of conduction in heterogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Lechman, Jeremy B. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Battaile, Corbett Chandler. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Bolintineanu, Dan [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Cooper, Marcia A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Erikson, William W. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Foiles, Stephen M. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Kay, Jeffrey J [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Phinney, Leslie M. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Piekos, Edward S. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Specht, Paul Elliott [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Wixom, Ryan R. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Yarrington, Cole [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-01-01

    This report summarizes a project in which the authors sought to develop and deploy: (i) experimental techniques to elucidate the complex, multiscale nature of thermal transport in particle-based materials; and (ii) modeling approaches to address current challenges in predicting performance variability of materials (e.g., identifying and characterizing physical- chemical processes and their couplings across multiple length and time scales, modeling information transfer between scales, and statically and dynamically resolving material structure and its evolution during manufacturing and device performance). Experimentally, several capabilities were successfully advanced. As discussed in Chapter 2 a flash diffusivity capability for measuring homogeneous thermal conductivity of pyrotechnic powders (and beyond) was advanced; leading to enhanced characterization of pyrotechnic materials and properties impacting component development. Chapter 4 describes success for the first time, although preliminary, in resolving thermal fields at speeds and spatial scales relevant to energetic components. Chapter 7 summarizes the first ever (as far as the authors know) application of TDTR to actual pyrotechnic materials. This is the first attempt to actually characterize these materials at the interfacial scale. On the modeling side, new capabilities in image processing of experimental microstructures and direct numerical simulation on complicated structures were advanced (see Chapters 3 and 5). In addition, modeling work described in Chapter 8 led to improved prediction of interface thermal conductance from first principles calculations. Toward the second point, for a model system of packed particles, significant headway was made in implementing numerical algorithms and collecting data to justify the approach in terms of highlighting the phenomena at play and pointing the way forward in developing and informing the kind of modeling approach originally envisioned (see Chapter 6). In