WorldWideScience

Sample records for integrated computational materials

  1. Advances in Integrated Computational Materials Engineering "ICME"

    Science.gov (United States)

    Hirsch, Jürgen

    The methods of Integrated Computational Materials Engineering that were developed and successfully applied for Aluminium have been constantly improved. The main aspects and recent advances of integrated material and process modeling are simulations of material properties like strength and forming properties and for the specific microstructure evolution during processing (rolling, extrusion, annealing) under the influence of material constitution and process variations through the production process down to the final application. Examples are discussed for the through-process simulation of microstructures and related properties of Aluminium sheet, including DC ingot casting, pre-heating and homogenization, hot and cold rolling, final annealing. New results are included of simulation solution annealing and age hardening of 6xxx alloys for automotive applications. Physically based quantitative descriptions and computer assisted evaluation methods are new ICME methods of integrating new simulation tools also for customer applications, like heat affected zones in welding of age hardening alloys. The aspects of estimating the effect of specific elements due to growing recycling volumes requested also for high end Aluminium products are also discussed, being of special interest in the Aluminium producing industries.

  2. Integrated Computational Material Engineering Technologies for Additive Manufacturing, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — QuesTek Innovations, a pioneer in Integrated Computational Materials Engineering (ICME) and a Tibbetts Award recipient, is teaming with University of Pittsburgh,...

  3. Development of integrated platform for computational material design

    Energy Technology Data Exchange (ETDEWEB)

    Kiyoshi, Matsubara; Kumi, Itai; Nobutaka, Nishikawa; Akifumi, Kato [Center for Computational Science and Engineering, Fuji Research Institute Corporation (Japan); Hideaki, Koike [Advance Soft Corporation (Japan)

    2003-07-01

    The goal of our project is to design and develop a problem-solving environment (PSE) that will help computational scientists and engineers develop large complicated application software and simulate complex phenomena by using networking and parallel computing. The integrated platform, which is designed for PSE in the Japanese national project of Frontier Simulation Software for Industrial Science, is defined by supporting the entire range of problem solving activity from program formulation and data setup to numerical simulation, data management, and visualization. A special feature of our integrated platform is based on a new architecture called TASK FLOW. It integrates the computational resources such as hardware and software on the network and supports complex and large-scale simulation. This concept is applied to computational material design and the project 'comprehensive research for modeling, analysis, control, and design of large-scale complex system considering properties of human being'. Moreover this system will provide the best solution for developing large and complicated software and simulating complex and large-scaled phenomena in computational science and engineering. A prototype has already been developed and the validation and verification of an integrated platform will be scheduled by using the prototype in 2003. In the validation and verification, fluid-structure coupling analysis system for designing an industrial machine will be developed on the integrated platform. As other examples of validation and verification, integrated platform for quantum chemistry and bio-mechanical system are planned.

  4. Development of integrated platform for computational material design

    International Nuclear Information System (INIS)

    Kiyoshi, Matsubara; Kumi, Itai; Nobutaka, Nishikawa; Akifumi, Kato; Hideaki, Koike

    2003-01-01

    The goal of our project is to design and develop a problem-solving environment (PSE) that will help computational scientists and engineers develop large complicated application software and simulate complex phenomena by using networking and parallel computing. The integrated platform, which is designed for PSE in the Japanese national project of Frontier Simulation Software for Industrial Science, is defined by supporting the entire range of problem solving activity from program formulation and data setup to numerical simulation, data management, and visualization. A special feature of our integrated platform is based on a new architecture called TASK FLOW. It integrates the computational resources such as hardware and software on the network and supports complex and large-scale simulation. This concept is applied to computational material design and the project 'comprehensive research for modeling, analysis, control, and design of large-scale complex system considering properties of human being'. Moreover this system will provide the best solution for developing large and complicated software and simulating complex and large-scaled phenomena in computational science and engineering. A prototype has already been developed and the validation and verification of an integrated platform will be scheduled by using the prototype in 2003. In the validation and verification, fluid-structure coupling analysis system for designing an industrial machine will be developed on the integrated platform. As other examples of validation and verification, integrated platform for quantum chemistry and bio-mechanical system are planned

  5. Integrated Computational Materials Engineering for Magnesium in Automotive Body Applications

    Science.gov (United States)

    Allison, John E.; Liu, Baicheng; Boyle, Kevin P.; Hector, Lou; McCune, Robert

    This paper provides an overview and progress report for an international collaborative project which aims to develop an ICME infrastructure for magnesium for use in automotive body applications. Quantitative processing-micro structure-property relationships are being developed for extruded Mg alloys, sheet-formed Mg alloys and high pressure die cast Mg alloys. These relationships are captured in computational models which are then linked with manufacturing process simulation and used to provide constitutive models for component performance analysis. The long term goal is to capture this information in efficient computational models and in a web-centered knowledge base. The work is being conducted at leading universities, national labs and industrial research facilities in the US, China and Canada. This project is sponsored by the U.S. Department of Energy, the U.S. Automotive Materials Partnership (USAMP), Chinese Ministry of Science and Technology (MOST) and Natural Resources Canada (NRCan).

  6. 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.

  7. Integrated Computational Materials Engineering (ICME) for Third Generation Advanced High-Strength Steel Development

    Energy Technology Data Exchange (ETDEWEB)

    Savic, Vesna; Hector, Louis G.; Ezzat, Hesham; Sachdev, Anil K.; Quinn, James; Krupitzer, Ronald; Sun, Xin

    2015-06-01

    This paper presents an overview of a four-year project focused on development of an integrated computational materials engineering (ICME) toolset for third generation advanced high-strength steels (3GAHSS). Following a brief look at ICME as an emerging discipline within the Materials Genome Initiative, technical tasks in the ICME project will be discussed. Specific aims of the individual tasks are multi-scale, microstructure-based material model development using state-of-the-art computational and experimental techniques, forming, toolset assembly, design optimization, integration and technical cost modeling. The integrated approach is initially illustrated using a 980 grade transformation induced plasticity (TRIP) steel, subject to a two-step quenching and partitioning (Q&P) heat treatment, as an example.

  8. An Integrated Computational Materials Engineering Method for Woven Carbon Fiber Composites Preforming Process

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Weizhao; Ren, Huaqing; Wang, Zequn; Liu, Wing K.; Chen, Wei; Zeng, Danielle; Su, Xuming; Cao, Jian

    2016-10-19

    An integrated computational materials engineering method is proposed in this paper for analyzing the design and preforming process of woven carbon fiber composites. The goal is to reduce the cost and time needed for the mass production of structural composites. It integrates the simulation methods from the micro-scale to the macro-scale to capture the behavior of the composite material in the preforming process. In this way, the time consuming and high cost physical experiments and prototypes in the development of the manufacturing process can be circumvented. This method contains three parts: the micro-scale representative volume element (RVE) simulation to characterize the material; the metamodeling algorithm to generate the constitutive equations; and the macro-scale preforming simulation to predict the behavior of the composite material during forming. The results show the potential of this approach as a guidance to the design of composite materials and its manufacturing process.

  9. Computer aided process planning system based on workflow technology and integrated bill of material tree

    Institute of Scientific and Technical Information of China (English)

    LU Chun-guang; MENG Li-li

    2006-01-01

    It is extremely important for procedure of process design and management of process data for product life cycle in Computer Aided Process Planning (CAPP) system,but there are many shortcomings with traditional CAPP system in these respects.To solve these questions,application of workflow technology in CAPP system based on web-integrated Bill of Material (BOM) tree is discussed,and a concept of integrated BOM tree was brought forward.Taking integrated BOM as the thread,CAPP systematic technological process is analyzed.The function,system architecture,and implementation mechanism of CAPP system based on Browser/Server and Customer/Server model are expatiated.Based on it,the key technologies of workflow management device were analyzed.Eventually,the implementation mechanism of integrated BOM tree was analyzed from viewpoints of material information encoding,organization node design of integrated BOM tree,transformation from Engineering BOM (EBOM)to Process BOM (PBOM),and the programming implementation technology.

  10. Integrated Computational Materials Engineering Development of Advanced High Strength Steel for Lightweight Vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Hector, Jr., Louis G. [General Motors, Warren, MI (United States); McCarty, Eric D. [United States Automotive Materials Partnership LLC (USAMP), Southfield, MI (United States)

    2017-07-31

    The goal of the ICME 3GAHSS project was to successfully demonstrate the applicability of Integrated Computational Materials Engineering (ICME) for the development and deployment of third generation advanced high strength steels (3GAHSS) for immediate weight reduction in passenger vehicles. The ICME approach integrated results from well-established computational and experimental methodologies to develop a suite of material constitutive models (deformation and failure), manufacturing process and performance simulation modules, a properties database, as well as the computational environment linking them together for both performance prediction and material optimization. This is the Final Report for the ICME 3GAHSS project, which achieved the fol-lowing objectives: 1) Developed a 3GAHSS ICME model, which includes atomistic, crystal plasticity, state variable and forming models. The 3GAHSS model was implemented in commercially available LS-DYNA and a user guide was developed to facilitate use of the model. 2) Developed and produced two 3GAHSS alloys using two different chemistries and manufacturing processes, for use in calibrating and validating the 3GAHSS ICME Model. 3) Optimized the design of an automotive subassembly by substituting 3GAHSS for AHSS yielding a design that met or exceeded all baseline performance requirements with a 30% mass savings. A technical cost model was also developed to estimate the cost per pound of weight saved when substituting 3GAHSS for AHSS. The project demonstrated the potential for 3GAHSS to achieve up to 30% weight savings in an automotive structure at a cost penalty of up to $0.32 to $1.26 per pound of weight saved. The 3GAHSS ICME Model enables the user to design 3GAHSS to desired mechanical properties in terms of strength and ductility.

  11. Emerging materials and devices in spintronic integrated circuits for energy-smart mobile computing and connectivity

    International Nuclear Information System (INIS)

    Kang, S.H.; Lee, K.

    2013-01-01

    A spintronic integrated circuit (IC) is made of a combination of a semiconductor IC and a dense array of nanometer-scale magnetic tunnel junctions. This emerging field is of growing scientific and engineering interest, owing to its potential to bring disruptive device innovation to the world of electronics. This technology is currently being pursued not only for scalable non-volatile spin-transfer-torque magnetoresistive random access memory, but also for various forms of non-volatile logic (Spin-Logic). This paper reviews recent advances in spintronic IC. Key discoveries and breakthroughs in materials and devices are highlighted in light of the broader perspective of their application in low-energy mobile computing and connectivity systems, which have emerged as leading drivers for the prevailing electronics ecosystem

  12. On the role of solidification modelling in Integrated Computational Materials Engineering “ICME”

    International Nuclear Information System (INIS)

    Schmitz, G J; Böttger, B; Apel, M

    2016-01-01

    Solidification during casting processes marks the starting point of the history of almost any component or product. Integrated Computational Materials Engineering (ICME) [1-4] recognizes the importance of further tracking the history of microstructure evolution along the subsequent process chain. Solidification during joining processes in general happens quite late during production, where the parts to be joined already have experienced a number of processing steps which affected their microstructure. Reliable modelling of melting and dissolution of these microstructures represents a key issue before eventually modelling ‘re’-solidification e.g. during welding or soldering. Some instructive examples of microstructure evolution during a joining process obtained on the basis of synthetic and simulated initial microstructures of an Al-Cu binary model system are discussed. (paper)

  13. Optimization Using Metamodeling in the Context of Integrated Computational Materials Engineering (ICME)

    Energy Technology Data Exchange (ETDEWEB)

    Hammi, Youssef; Horstemeyer, Mark F; Wang, Paul; David, Francis; Carino, Ricolindo

    2013-11-18

    Predictive Design Technologies, LLC (PDT) proposed to employ Integrated Computational Materials Engineering (ICME) tools to help the manufacturing industry in the United States regain the competitive advantage in the global economy. ICME uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. With the advent of accurate modeling and simulation along with significant increases in high performance computing (HPC) power, virtual design and manufacturing using ICME tools provide the means to reduce product development time and cost by alleviating costly trial-and-error physical design iterations while improving overall quality and manufacturing efficiency. To reduce the computational cost necessary for the large-scale HPC simulations and to make the methodology accessible for small and medium-sized manufacturers (SMMs), metamodels are employed. Metamodels are approximate models (functional relationships between input and output variables) that can reduce the simulation times by one to two orders of magnitude. In Phase I, PDT, partnered with Mississippi State University (MSU), demonstrated the feasibility of the proposed methodology by employing MSU?s internal state variable (ISV) plasticity-damage model with the help of metamodels to optimize the microstructure-process-property-cost for tube manufacturing processes used by Plymouth Tube Company (PTC), which involves complicated temperature and mechanical loading histories. PDT quantified the microstructure-property relationships for PTC?s SAE J525 electric resistance-welded cold drawn low carbon hydraulic 1010 steel tube manufacturing processes at seven different material states and calibrated the ISV plasticity material parameters to fit experimental tensile stress-strain curves. PDT successfully performed large scale finite element (FE) simulations in an HPC environment using the ISV plasticity

  14. Integrating Molecular Computation and Material Production in an Artificial Subcellular Matrix

    DEFF Research Database (Denmark)

    Fellermann, Harold; Hadorn, Maik; Bönzli, Eva

    Living systems are unique in that they integrate molecular recognition and information processing with material production on the molecular scale. Pre- dominant locus of this integration is the cellular matrix, where a multitude of biochemical reactions proceed simultaneously in highly compartmen......Living systems are unique in that they integrate molecular recognition and information processing with material production on the molecular scale. Pre- dominant locus of this integration is the cellular matrix, where a multitude of biochemical reactions proceed simultaneously in highly...... compartmentalized re- action compartments that interact and get delivered through vesicle trafficking. The European Commission funded project MatchIT (Matrix for Chemical IT) aims at creating an artificial cellular matrix that seamlessly integrates infor- mation processing and material production in much the same...

  15. Yield asymmetry design of magnesium alloys by integrated computational materials engineering

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dongsheng [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Joshi, Vineet [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lavender, Curt [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Khaleel, Mohammad [Qatar Foundation Research adn Development (Qatar); Ahzi, Said [Univ. of Strasbourg (France)

    2013-11-01

    Deformation asymmetry of magnesium alloys is an important factor on machine design in the automobile industry. Represented by the ratio of compressive yield stress (CYS) against tensile yield stress (TYS), deformation asymmetry is strongly related to texture and grain size. A polycrystalline viscoplasticity model, modified intermediate Φ-model, is used to predict the deformation behavior of magnesium alloys with different grain sizes. Validated with experimental results, integrated computational materials engineering is applied to find out the route in achieving desired asymmetry via thermomechanical processing. For example, CYS/TYS in rolled texture is smaller than 1 under different loading directions. In other textures, such as extruded texture, CYS/TYS is large along the normal direction. Starting from rolled texture, asymmetry will increase to close to 1 along the rolling direction after being compressed to a strain of 0.2. Our modified Φ-model also shows that grain refinement increases CYS/TYS. Along with texture control, grain refinement also can optimize the yield asymmetry. After the grain size decreases to a critical value, CYS/TYS reaches to 1 because CYS increases much faster than TYS. By tailoring the microstructure using texture control and grain refinement, it is achievable to optimize yield asymmetry in wrought magnesium alloys.

  16. Contour integral computations for multi-component material systems subjected to creep

    International Nuclear Information System (INIS)

    Chen, J.-J.; Tu, S.-T.; Xuan, F.-Z.; Wang, Z.-D.

    2006-01-01

    In the present paper the crack behavior of multi-component material systems is investigated under extensive creep condition. The validation of the creep fracture parameters C* and C(t) is firstly examined at the microscale level. It is found that the C* value is no longer path-independent when mismatch inclusions are embedded into the matrix. To characterize the crack fields in inhomogeneous material the integral value defined at the crack tip as C tip * is introduced to reflect the influence of the inclusion. The interaction effects between microcrack and inclusion are systematically calculated with respect to different mismatch factors, various inclusion locations and inclusion numbers. The analysis results show that the C tip * value is not only influenced by the inclusion properties but also depends on the microstructure near the crack tip

  17. Integrated Computational study of Material Lifetime in a Fusion Reactor Environment

    Energy Technology Data Exchange (ETDEWEB)

    Gilbert, M.; Dudarev, S.; Packer, L.; Zheng, S.; Sublet, J.-C., E-mail: mark.gilbert@ccfe.ac.uk [EURATOM/CCFE Fusion Association, Culham Centre for Fusion Energy, Abingdon (United Kingdom)

    2012-09-15

    Full text: The high-energy, high-intensity neutron fluxes produced by the fusion plasma will have a significant life-limiting impact on reactor components in both experimental and commercial fusion devices. Not only do the neutrons bombarding the materials induce atomic displacement cascades, leading to the accumulation of structural defects, but they also initiate nuclear reactions, which cause transmutation of the elemental atoms. Understanding the implications associated with the resulting compositional changes is one of the key outstanding issues related to fusion energy research. Several complimentary computational techniques have been used to investigate the problem. Firstly, neutron-transport simulations, performed on a reference design for the demonstration fusion power plant (DEMO), quantify the variation in neutron irradiation conditions as a function of geometry. The resulting neutron fluxes and spectra are then used as input into inventory calculations, which allow for the compositional changes of a material to be tracked in time. These calculations reveal that the production of helium (He) gas atoms, whose presence in a material is of particular concern because it can accumulate and cause swelling and embrittlement, will vary significantly, even within the same component of a reactor. Lastly, a density-functional-based model for He-induced grain-boundary embrittlement has been developed to predict the life-limiting consequences associated with relatively low concentrations of He in materials situated at various locations in the DEMO structure. The results suggest that some important fusion materials may be significantly more susceptible to this type of failure than others. (author)

  18. Computational approaches to energy materials

    CERN Document Server

    Catlow, Richard; Walsh, Aron

    2013-01-01

    The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process.   Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the

  19. The Computational Materials Repository

    DEFF Research Database (Denmark)

    Landis, David D.; Hummelshøj, Jens S.; Nestorov, Svetlozar

    2012-01-01

    The possibilities for designing new materials based on quantum physics calculations are rapidly growing, but these design efforts lead to a significant increase in the amount of computational data created. The Computational Materials Repository (CMR) addresses this data challenge and provides...

  20. Computational materials design

    International Nuclear Information System (INIS)

    Snyder, R.L.

    1999-01-01

    Full text: Trial and error experimentation is an extremely expensive route to the development of new materials. The coming age of reduced defense funding will dramatically alter the way in which advanced materials have developed. In the absence of large funding we must concentrate on reducing the time and expense that the R and D of a new material consumes. This may be accomplished through the development of computational materials science. Materials are selected today by comparing the technical requirements to the materials databases. When existing materials cannot meet the requirements we explore new systems to develop a new material using experimental databases like the PDF. After proof of concept, the scaling of the new material to manufacture requires evaluating millions of parameter combinations to optimize the performance of the new device. Historically this process takes 10 to 20 years and requires hundreds of millions of dollars. The development of a focused set of computational tools to predict the final properties of new materials will permit the exploration of new materials systems with only a limited amount of materials characterization. However, to bound computational extrapolations, the experimental formulations and characterization will need to be tightly coupled to the computational tasks. The required experimental data must be obtained by dynamic, in-situ, very rapid characterization. Finally, to evaluate the optimization matrix required to manufacture the new material, very rapid in situ analysis techniques will be essential to intelligently monitor and optimize the formation of a desired microstructure. Techniques and examples for the rapid real-time application of XRPD and optical microscopy will be shown. Recent developments in the cross linking of the world's structural and diffraction databases will be presented as the basis for the future Total Pattern Analysis by XRPD. Copyright (1999) Australian X-ray Analytical Association Inc

  1. An Integrated Computational and Experimental Approach Toward the Design of Materials for Fuel Cell Systems

    Science.gov (United States)

    2012-10-01

    13 Based on the limited work done, the best reported ORR chalcogenide electrocatalysts for PEMFC applications can be ranked as follows: MoRuSe... PEMFC catalysts is the durability of the catalyst particles. Particle size distribution tends to shift towards larger particles during the...the design of new materials for applications in PEMFCs . Reference: A more detailed treatment of the topics of this section, Experimental Target 11

  2. Multiscale Modeling of Carbon Fiber Reinforced Polymer (CFRP) for Integrated Computational Materials Engineering Process

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Jiaying; Liang, Biao; Zhang, Weizhao; Liu, Zeliang; Cheng, Puikei; Bostanabad, Ramin; Cao, Jian; Chen, Wei; Liu, Wing Kam; Su, Xuming; Zeng, Danielle; Zhao, John

    2017-10-23

    In this work, a multiscale modeling framework for CFRP is introduced to study hierarchical structure of CFRP. Four distinct scales are defined: nanoscale, microscale, mesoscale, and macroscale. Information at lower scales can be passed to higher scale, which is beneficial for studying effect of constituents on macroscale part’s mechanical property. This bottom-up modeling approach enables better understanding of CFRP from finest details. Current study focuses on microscale and mesoscale. Representative volume element is used at microscale and mesoscale to model material’s properties. At microscale, unidirection CFRP (UD) RVE is used to study properties of UD. The UD RVE can be modeled with different volumetric fraction to encounter non-uniform fiber distribution in CFRP part. Such consideration is important in modeling uncertainties at microscale level. Currently, we identified volumetric fraction as the only uncertainty parameters in UD RVE. To measure effective material properties of UD RVE, periodic boundary conditions (PBC) are applied to UD RVE to ensure convergence of obtained properties. Properties of UD is directly used at mesoscale woven RVE modeling, where each yarn is assumed to have same properties as UD. Within woven RVE, there can be many potential uncertainties parameters to consider for a physical modeling of CFRP. Currently, we will consider fiber misalignment within yarn and angle between wrap and weft yarns. PBC is applied to woven RVE to calculate its effective material properties. The effect of uncertainties are investigated quantitatively by Gaussian process. Preliminary results of UD and Woven study are analyzed for efficacy of the RVE modeling. This work is considered as the foundation for future multiscale modeling framework development for ICME project.

  3. Reexamination of cross-sections for fast neutrons by computational checking of single material integral experiments

    International Nuclear Information System (INIS)

    Schriewer, J.; Hehn, G.; Mattes, M.

    1976-06-01

    Transmission experiments for fast neutrons and pure materials offer the possibility to check the accuracy of nuclear data compilations by recalculating the measured discharge spectra. In this paper the calculations were mainly based on two Benchmark experiments with pure iron carried out at the Karlsruhe Nuclear Research Center. One of the experiments employed a 252 Cf fission source and spherically symmetric arrangement; the other was based on transmission of an iron cylinder by 14-MeV neutrons from a D+T source. The checking calculations were based on the data compilation ENDF/B-IV (occasionally also ENDF/B-III) and on the transport codes ANISN (1D) and DOT-2 (2D) with lined up ESTOQ (for calculating the first-collision source). The calculations with the Cf source showed good agreement with the results of measurement, whereas the checking of the arrangement with 14 MeV neutrons yielded a marked underestimation of the neutron flux density in the range of 2 MeV up to 14 MeV. The discussion of the results including the choice of codes was done on the basis of a literature review on the Benchmark experiments for iron with fast neutrons carried out until now. (orig.) [de

  4. Computational Materials Repository

    DEFF Research Database (Denmark)

    Landis, David

    , different abstraction levels and enables users to analyze their own results, and allows to share data with collaborators. The approach of the Computational Materials Repository (CMR) is to convert data to an internal format that maintains the original variable names without insisting on any semantics...

  5. Computation of integral bases

    NARCIS (Netherlands)

    Bauch, J.H.P.

    2015-01-01

    Let $A$ be a Dedekind domain, $K$ the fraction field of $A$, and $f\\in A[x]$ a monic irreducible separable polynomial. For a given non-zero prime ideal $\\mathfrak{p}$ of $A$ we present in this paper a new method to compute a $\\mathfrak{p}$-integral basis of the extension of $K$ determined by $f$.

  6. Computational Materials Science | Materials Science | NREL

    Science.gov (United States)

    Computational Materials Science Computational Materials Science An image of interconnecting, sphere science capabilities span many research fields and interests. Electronic, Optical, and Transport Properties of Photovoltaic Materials Material properties and defect physics of Si, CdTe, III-V, CIGS, CZTS

  7. Proceedings of the 3rd World Congress on Integrated Computational Materials Engineering (ICME 2015). Held in Colorado Springs, CO on May 31-June 4, 2015

    Science.gov (United States)

    2016-06-28

    Xin Sun - Proceedings 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION The Minerals Metals...on Integrated Computational Materials Engineering (ICME) was organized by The Minerals , Metals, and Materials Society (TMS) and held in Colorado...Springs, Colorado from May 31- June 4, 2015. ONR support in the an1otmt of$15,000 was provided to support the planning , execution, and dissemination of

  8. Integrated Computer System of Management in Logistics

    Science.gov (United States)

    Chwesiuk, Krzysztof

    2011-06-01

    This paper aims at presenting a concept of an integrated computer system of management in logistics, particularly in supply and distribution chains. Consequently, the paper includes the basic idea of the concept of computer-based management in logistics and components of the system, such as CAM and CIM systems in production processes, and management systems for storage, materials flow, and for managing transport, forwarding and logistics companies. The platform which integrates computer-aided management systems is that of electronic data interchange.

  9. Integrated material accountancy system

    International Nuclear Information System (INIS)

    Calabozo, M.; Buiza, A.

    1991-01-01

    In this paper we present the system that we are actually using for Nuclear Material Accounting and Manufacturing Management in our UO 2 Fuel Fabrication Plant located at Juzbado, Salamanca, Spain. The system is based mainly on a real time data base which gather data for all the operations performed in our factory from UO 2 powder reception to fuel assemblies shipment to the customers. The accountancy is just an important part of the whole integrated system covering all the aspects related to manufacturing: planning, traceability, Q.C. analysis, production control and accounting data

  10. Material integrity verification radar

    International Nuclear Information System (INIS)

    Koppenjan, S.K.

    1999-01-01

    The International Atomic Energy Agency (IAEA) has the need for verification of 'as-built' spent fuel-dry storage containers and other concrete structures. The IAEA has tasked the Special Technologies Laboratory (STL) to fabricate, test, and deploy a stepped-frequency Material Integrity Verification Radar (MIVR) system to nondestructively verify the internal construction of these containers. The MIVR system is based on previously deployed high-frequency, ground penetrating radar (GPR) systems that have been developed by STL for the U.S. Department of Energy (DOE). Whereas GPR technology utilizes microwave radio frequency energy to create subsurface images, MTVR is a variation for which the medium is concrete instead of soil. The purpose is to nondestructively verify the placement of concrete-reinforcing materials, pipes, inner liners, and other attributes of the internal construction. The MIVR system underwent an initial field test on CANDU reactor spent fuel storage canisters at Atomic Energy of Canada Limited (AECL), Chalk River Laboratories, Ontario, Canada, in October 1995. A second field test at the Embalse Nuclear Power Plant in Embalse, Argentina, was completed in May 1996. The DOE GPR also was demonstrated at the site. Data collection and analysis were performed for the Argentine National Board of Nuclear Regulation (ENREN). IAEA and the Brazilian-Argentine Agency for the Control and Accounting of Nuclear Material (ABACC) personnel were present as observers during the test. Reinforcing materials were evident in the color, two-dimensional images produced by the MIVR system. A continuous pattern of reinforcing bars was evident and accurate estimates on the spacing, depth, and size were made. The potential uses for safeguard applications were jointly discussed. The MIVR system, as successfully demonstrated in the two field tests, can be used as a design verification tool for IAEA safeguards. A deployment of MIVR for Design Information Questionnaire (DIQ

  11. Computing and Material

    DEFF Research Database (Denmark)

    Ramsgaard Thomsen, Mette; Tamke, Martin

    2013-01-01

    The digital is often said to bring us away from material. The adverse is true: digital design and fabrication grants new interfaces towards material and allows architectural design to engage with material on architectural scale in a way that is further reaching than ever before....

  12. An integrated computational tool for precipitation simulation

    Science.gov (United States)

    Cao, W.; Zhang, F.; Chen, S.-L.; Zhang, C.; Chang, Y. A.

    2011-07-01

    Computer aided materials design is of increasing interest because the conventional approach solely relying on experimentation is no longer viable within the constraint of available resources. Modeling of microstructure and mechanical properties during precipitation plays a critical role in understanding the behavior of materials and thus accelerating the development of materials. Nevertheless, an integrated computational tool coupling reliable thermodynamic calculation, kinetic simulation, and property prediction of multi-component systems for industrial applications is rarely available. In this regard, we are developing a software package, PanPrecipitation, under the framework of integrated computational materials engineering to simulate precipitation kinetics. It is seamlessly integrated with the thermodynamic calculation engine, PanEngine, to obtain accurate thermodynamic properties and atomic mobility data necessary for precipitation simulation.

  13. Introduction Of Computational Materials Science

    International Nuclear Information System (INIS)

    Lee, Jun Geun

    2006-08-01

    This book gives, descriptions of computer simulation, computational materials science, typical three ways of computational materials science, empirical methods ; molecular dynamics such as potential energy, Newton's equation of motion, data production and analysis of results, quantum mechanical methods like wave equation, approximation, Hartree method, and density functional theory, dealing of solid such as pseudopotential method, tight-binding methods embedded atom method, Car-Parrinello method and combination simulation.

  14. Materials science. Materials that couple sensing, actuation, computation, and communication.

    Science.gov (United States)

    McEvoy, M A; Correll, N

    2015-03-20

    Tightly integrating sensing, actuation, and computation into composites could enable a new generation of truly smart material systems that can change their appearance and shape autonomously. Applications for such materials include airfoils that change their aerodynamic profile, vehicles with camouflage abilities, bridges that detect and repair damage, or robotic skins and prosthetics with a realistic sense of touch. Although integrating sensors and actuators into composites is becoming increasingly common, the opportunities afforded by embedded computation have only been marginally explored. Here, the key challenge is the gap between the continuous physics of materials and the discrete mathematics of computation. Bridging this gap requires a fundamental understanding of the constituents of such robotic materials and the distributed algorithms and controls that make these structures smart. Copyright © 2015, American Association for the Advancement of Science.

  15. Computation of integral bases

    NARCIS (Netherlands)

    Bauch, J.D.

    2016-01-01

    Let A be a Dedekind domain, K the fraction field of A, and f∈. A[. x] a monic irreducible separable polynomial. For a given non-zero prime ideal p of A we present in this paper a new characterization of a p-integral basis of the extension of K determined by f. This characterization yields in an

  16. Identifying Structure-Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach

    Science.gov (United States)

    Diehl, Martin; Groeber, Michael; Haase, Christian; Molodov, Dmitri A.; Roters, Franz; Raabe, Dierk

    2017-05-01

    Predicting, understanding, and controlling the mechanical behavior is the most important task when designing structural materials. Modern alloy systems—in which multiple deformation mechanisms, phases, and defects are introduced to overcome the inverse strength-ductility relationship—give raise to multiple possibilities for modifying the deformation behavior, rendering traditional, exclusively experimentally-based alloy development workflows inappropriate. For fast and efficient alloy design, it is therefore desirable to predict the mechanical performance of candidate alloys by simulation studies to replace time- and resource-consuming mechanical tests. Simulation tools suitable for this task need to correctly predict the mechanical behavior in dependence of alloy composition, microstructure, texture, phase fractions, and processing history. Here, an integrated computational materials engineering approach based on the open source software packages DREAM.3D and DAMASK (Düsseldorf Advanced Materials Simulation Kit) that enables such virtual material development is presented. More specific, our approach consists of the following three steps: (1) acquire statistical quantities that describe a microstructure, (2) build a representative volume element based on these quantities employing DREAM.3D, and (3) evaluate the representative volume using a predictive crystal plasticity material model provided by DAMASK. Exemplarily, these steps are here conducted for a high-manganese steel.

  17. An integrated experimental and computational approach to material selection for sound proof thermally insulted enclosure of a power generation system

    Science.gov (United States)

    Waheed, R.; Tarar, W.; Saeed, H. A.

    2016-08-01

    Sound proof canopies for diesel power generators are fabricated with a layer of sound absorbing material applied to all the inner walls. The physical properties of the majority of commercially available sound proofing materials reveal that a material with high sound absorption coefficient has very low thermal conductivity. Consequently a good sound absorbing material is also a good heat insulator. In this research it has been found through various experiments that ordinary sound proofing materials tend to rise the inside temperature of sound proof enclosure in certain turbo engines by capturing the heat produced by engine and not allowing it to be transferred to atmosphere. The same phenomenon is studied by creating a finite element model of the sound proof enclosure and performing a steady state and transient thermal analysis. The prospects of using aluminium foam as sound proofing material has been studied and it is found that inside temperature of sound proof enclosure can be cut down to safe working temperature of power generator engine without compromise on sound proofing.

  18. Division of Integrity and Materials

    International Nuclear Information System (INIS)

    Zdarek, J.

    1995-01-01

    The organization structure is described of the Division of Integrity and Materials, Institute of Nuclear Research plc, Rez, and the main fields of their activities given. Listed are the major research projects of the Division in 1994. (Z.S.)

  19. Models, Databases, and Simulation Tools Needed for the Realization of Integrated Computational Materials Engineering. Proceedings of the Symposium Held at Materials Science and Technology 2010

    Science.gov (United States)

    Arnold, Steven M. (Editor); Wong, Terry T. (Editor)

    2011-01-01

    Topics covered include: An Annotative Review of Multiscale Modeling and its Application to Scales Inherent in the Field of ICME; and A Multiscale, Nonlinear, Modeling Framework Enabling the Design and Analysis of Composite Materials and Structures.

  20. Deterministic computation of functional integrals

    International Nuclear Information System (INIS)

    Lobanov, Yu.Yu.

    1995-09-01

    A new method of numerical integration in functional spaces is described. This method is based on the rigorous definition of a functional integral in complete separable metric space and on the use of approximation formulas which we constructed for this kind of integral. The method is applicable to solution of some partial differential equations and to calculation of various characteristics in quantum physics. No preliminary discretization of space and time is required in this method, as well as no simplifying assumptions like semi-classical, mean field approximations, collective excitations, introduction of ''short-time'' propagators, etc are necessary in our approach. The constructed approximation formulas satisfy the condition of being exact on a given class of functionals, namely polynomial functionals of a given degree. The employment of these formulas replaces the evaluation of a functional integral by computation of the ''ordinary'' (Riemannian) integral of a low dimension, thus allowing to use the more preferable deterministic algorithms (normally - Gaussian quadratures) in computations rather than traditional stochastic (Monte Carlo) methods which are commonly used for solution of the problem under consideration. The results of application of the method to computation of the Green function of the Schroedinger equation in imaginary time as well as the study of some models of Euclidean quantum mechanics are presented. The comparison with results of other authors shows that our method gives significant (by an order of magnitude) economy of computer time and memory versus other known methods while providing the results with the same or better accuracy. The funcitonal measure of the Gaussian type is considered and some of its particular cases, namely conditional Wiener measure in quantum statistical mechanics and functional measure in a Schwartz distribution space in two-dimensional quantum field theory are studied in detail. Numerical examples demonstrating the

  1. Integrative approaches to computational biomedicine

    Science.gov (United States)

    Coveney, Peter V.; Diaz-Zuccarini, Vanessa; Graf, Norbert; Hunter, Peter; Kohl, Peter; Tegner, Jesper; Viceconti, Marco

    2013-01-01

    The new discipline of computational biomedicine is concerned with the application of computer-based techniques and particularly modelling and simulation to human health. Since 2007, this discipline has been synonymous, in Europe, with the name given to the European Union's ambitious investment in integrating these techniques with the eventual aim of modelling the human body as a whole: the virtual physiological human. This programme and its successors are expected, over the next decades, to transform the study and practice of healthcare, moving it towards the priorities known as ‘4P's’: predictive, preventative, personalized and participatory medicine.

  2. Selective Integration in the Material-Point Method

    DEFF Research Database (Denmark)

    Andersen, Lars; Andersen, Søren; Damkilde, Lars

    2009-01-01

    The paper deals with stress integration in the material-point method. In order to avoid parasitic shear in bending, a formulation is proposed, based on selective integration in the background grid that is used to solve the governing equations. The suggested integration scheme is compared...... to a traditional material-point-method computation in which the stresses are evaluated at the material points. The deformation of a cantilever beam is analysed, assuming elastic or elastoplastic material behaviour....

  3. Computational 2D Materials Database

    DEFF Research Database (Denmark)

    Rasmussen, Filip Anselm; Thygesen, Kristian Sommer

    2015-01-01

    We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition-metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with spin-orbit coupling are calculated in the G(0)W(0) approximation...... and used as input to a 2D hydrogenic model to estimate exciton binding energies. Throughout the paper we focus on trends and correlations in the electronic structure rather than detailed analysis of specific materials. All the computed data is available in an open database......., and comparison is made with different density functional theory descriptions. Pitfalls related to the convergence of GW calculations for two-dimensional (2D) materials are discussed together with possible solutions. The monolayer band edge positions relative to vacuum are used to estimate the band alignment...

  4. Ontology based heterogeneous materials database integration and semantic query

    Science.gov (United States)

    Zhao, Shuai; Qian, Quan

    2017-10-01

    Materials digital data, high throughput experiments and high throughput computations are regarded as three key pillars of materials genome initiatives. With the fast growth of materials data, the integration and sharing of data is very urgent, that has gradually become a hot topic of materials informatics. Due to the lack of semantic description, it is difficult to integrate data deeply in semantic level when adopting the conventional heterogeneous database integration approaches such as federal database or data warehouse. In this paper, a semantic integration method is proposed to create the semantic ontology by extracting the database schema semi-automatically. Other heterogeneous databases are integrated to the ontology by means of relational algebra and the rooted graph. Based on integrated ontology, semantic query can be done using SPARQL. During the experiments, two world famous First Principle Computational databases, OQMD and Materials Project are used as the integration targets, which show the availability and effectiveness of our method.

  5. Computer aided materials design; Keisanki zairyo sekkei

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    The questionnaire survey on the computer aided materials design (CAMD), and the survey of current domestic and overseas software concerned were carried out to clarify developmental issues. The current elementary technology of CAMD was also surveyed to study its several problems caused with a progress of material design technology due to drastic diffusion of CAMD. This project aims at establishment of a new demanded software, computer chemistry, focusing attention on functional materials such as catalyst, polymer and non-linear electronic materials. Microscopic simulation technology was mainly surveyed in fiscal 1996. Although some fruitful results have been obtained in the fields of medical and agricultural chemicals, organic compounds, proteins, catalysts and electronic materials, such some problems are pointed out as `CAMD cannot handle an actual size of the target system` and `commercially available software are very expensive.` Reliable tool development as elementary technology, and the verification of its applications are thus required. Meso-dynamics, polymers, surface reaction and integrated technological environment attract users` attention. 27 refs., 16 figs., 2 tabs.

  6. Computational Mechanics for Heterogeneous Materials

    Energy Technology Data Exchange (ETDEWEB)

    Lechman, Jeremy B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Baczewski, Andrew David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bond, Stephen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Erikson, William W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lehoucq, Richard B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mondy, Lisa Ann [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Noble, David R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Pierce, Flint [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Roberts, Christine [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); van Swol, Frank B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Yarrington, Cole [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2013-11-01

    The subject of this work is the development of models for the numerical simulation of matter, momentum, and energy balance in heterogeneous materials. These are materials that consist of multiple phases or species or that are structured on some (perhaps many) scale(s). By computational mechanics we mean to refer generally to the standard type of modeling that is done at the level of macroscopic balance laws (mass, momentum, energy). We will refer to the flow or flux of these quantities in a generalized sense as transport. At issue here are the forms of the governing equations in these complex materials which are potentially strongly inhomogeneous below some correlation length scale and are yet homogeneous on larger length scales. The question then becomes one of how to model this behavior and what are the proper multi-scale equations to capture the transport mechanisms across scales. To address this we look to the area of generalized stochastic process that underlie the transport processes in homogeneous materials. The archetypal example being the relationship between a random walk or Brownian motion stochastic processes and the associated Fokker-Planck or diffusion equation. Here we are interested in how this classical setting changes when inhomogeneities or correlations in structure are introduced into the problem. Aspects of non-classical behavior need to be addressed, such as non-Fickian behavior of the mean-squared-displacement (MSD) and non-Gaussian behavior of the underlying probability distribution of jumps. We present an experimental technique and apparatus built to investigate some of these issues. We also discuss diffusive processes in inhomogeneous systems, and the role of the chemical potential in diffusion of hard spheres is considered. Also, the relevance to liquid metal solutions is considered. Finally we present an example of how inhomogeneities in material microstructure introduce fluctuations at the meso-scale for a thermal conduction problem

  7. Integrated Optoelectronic Networks for Application-Driven Multicore Computing

    Science.gov (United States)

    2017-05-08

    AFRL-AFOSR-VA-TR-2017-0102 Integrated Optoelectronic Networks for Application- Driven Multicore Computing Sudeep Pasricha COLORADO STATE UNIVERSITY...AND SUBTITLE Integrated Optoelectronic Networks for Application-Driven Multicore Computing 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-13-1-0110 5c...and supportive materials with innovative architectural designs that integrate these components according to system-wide application needs. 15

  8. ICAN Computer Code Adapted for Building Materials

    Science.gov (United States)

    Murthy, Pappu L. N.

    1997-01-01

    The NASA Lewis Research Center has been involved in developing composite micromechanics and macromechanics theories over the last three decades. These activities have resulted in several composite mechanics theories and structural analysis codes whose applications range from material behavior design and analysis to structural component response. One of these computer codes, the Integrated Composite Analyzer (ICAN), is designed primarily to address issues related to designing polymer matrix composites and predicting their properties - including hygral, thermal, and mechanical load effects. Recently, under a cost-sharing cooperative agreement with a Fortune 500 corporation, Master Builders Inc., ICAN was adapted to analyze building materials. The high costs and technical difficulties involved with the fabrication of continuous-fiber-reinforced composites sometimes limit their use. Particulate-reinforced composites can be thought of as a viable alternative. They are as easily processed to near-net shape as monolithic materials, yet have the improved stiffness, strength, and fracture toughness that is characteristic of continuous-fiber-reinforced composites. For example, particlereinforced metal-matrix composites show great potential for a variety of automotive applications, such as disk brake rotors, connecting rods, cylinder liners, and other hightemperature applications. Building materials, such as concrete, can be thought of as one of the oldest materials in this category of multiphase, particle-reinforced materials. The adaptation of ICAN to analyze particle-reinforced composite materials involved the development of new micromechanics-based theories. A derivative of the ICAN code, ICAN/PART, was developed and delivered to Master Builders Inc. as a part of the cooperative activity.

  9. Materials Frontiers to Empower Quantum Computing

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Antoinette Jane [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sarrao, John Louis [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Richardson, Christopher [Laboratory for Physical Sciences, College Park, MD (United States)

    2015-06-11

    This is an exciting time at the nexus of quantum computing and materials research. The materials frontiers described in this report represent a significant advance in electronic materials and our understanding of the interactions between the local material and a manufactured quantum state. Simultaneously, directed efforts to solve materials issues related to quantum computing provide an opportunity to control and probe the fundamental arrangement of matter that will impact all electronic materials. An opportunity exists to extend our understanding of materials functionality from electronic-grade to quantum-grade by achieving a predictive understanding of noise and decoherence in qubits and their origins in materials defects and environmental coupling. Realizing this vision systematically and predictively will be transformative for quantum computing and will represent a qualitative step forward in materials prediction and control.

  10. 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

  11. Utilizing Computer Integration to Assist Nursing

    OpenAIRE

    Hujcs, Marianne

    1990-01-01

    As the use of computers in health care continues to increase, methods of using these computers to assist nursing practice are also increasing. This paper describes how integration within a hospital information system (HIS) contributed to the development of a report format and computer generated alerts used by nurses. Discussion also includes how the report and alerts impact those nurses providing bedside care as well as how integration of an HIS creates challenges for nursing.

  12. Crystal growth and computational materials science

    International Nuclear Information System (INIS)

    Jayakumar, S.; Ravindran, P.; Arun Kumar, R.; Sudarshan, C.

    2012-01-01

    The proceedings of the international conference on advanced materials discusses the advances being made in the area of single crystals, their preparation and device development from these crystals and details of the progress that is taking place in the computational field relating to materials science. Computational materials science makes use of advanced simulation tools and computer interfaces to develop a virtual platform which can provide a model for real-time experiments. This book includes selected papers in topics of crystal growth and computational materials science. We are confident that the new concepts and results presented will stimulate and enhance progress of research on crystal growth and computational materials science. Papers relevant to INIS are indexed separately

  13. Design and computation of modern engineering materials

    CERN Document Server

    Altenbach, Holm

    2014-01-01

     The idea of this monograph is to present the latest results related to design and computation of engineering materials and structures. The contributions cover the classical fields of mechanical, civil and materials engineering up to biomechanics and advanced materials processing and optimization. The materials and structures covered can be categorized into modern steels and titanium alloys, composite materials, biological and natural materials, material hybrids and modern joining technologies. Analytical modelling, numerical simulation, the application of state-of-the-art design tools and sophisticated experimental techniques are applied to characterize the performance of materials and to design and optimize structures in different fields of engineering applications.

  14. Computational materials science: Nanoscale plasticity

    DEFF Research Database (Denmark)

    Jacobsen, Karsten Wedel; Schiøtz, Jakob

    2002-01-01

    How does plastic deformation of polycrystalline materials with grain sizes less than 100 nm look at the atomic scale? A large-scale molecular dynamics simulation of nanocrystalline alluminium reveals some surprising behaviour.......How does plastic deformation of polycrystalline materials with grain sizes less than 100 nm look at the atomic scale? A large-scale molecular dynamics simulation of nanocrystalline alluminium reveals some surprising behaviour....

  15. A high performance scientific cloud computing environment for materials simulations

    Science.gov (United States)

    Jorissen, K.; Vila, F. D.; Rehr, J. J.

    2012-09-01

    We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several materials science codes, together with essential interface tools (an SCC toolset) that offers functionality comparable to local compute clusters. In particular, our SCC toolset provides automatic creation of virtual clusters for parallel computing, including tools for execution and monitoring performance, as well as efficient I/O utilities that enable seamless connections to and from the cloud. Our SCC platform is optimized for the Amazon Elastic Compute Cloud (EC2). We present benchmarks for prototypical scientific applications and demonstrate performance comparable to local compute clusters. To facilitate code execution and provide user-friendly access, we have also integrated cloud computing capability in a JAVA-based GUI. Our SCC platform may be an alternative to traditional HPC resources for materials science or quantum chemistry applications.

  16. Computer simulations applied in materials

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    This workshop takes stock of the simulation methods applied to nuclear materials and discusses the conditions in which these methods can predict physical results when no experimental data are available. The main topic concerns the radiation effects in oxides and includes also the behaviour of fission products in ceramics, the diffusion and segregation phenomena and the thermodynamical properties under irradiation. This document brings together a report of the previous 2002 workshop and the transparencies of 12 presentations among the 15 given at the workshop: accommodation of uranium and plutonium in pyrochlores; radiation effects in La{sub 2}Zr{sub 2}O{sub 7} pyrochlores; first principle calculations of defects formation energies in the Y{sub 2}(Ti,Sn,Zr){sub 2}O{sub 7} pyrochlore system; an approximate approach to predicting radiation tolerant materials; molecular dynamics study of the structural effects of displacement cascades in UO{sub 2}; composition defect maps for A{sup 3+}B{sup 3+}O{sub 3} perovskites; NMR characterization of radiation damaged materials: using simulation to interpret the data; local structure in damaged zircon: a first principle study; simulation studies on SiC; insertion and diffusion of He in 3C-SiC; a review of helium in silica; self-trapped holes in amorphous silicon dioxide: their short-range structure revealed from electron spin resonance and optical measurements and opportunities for inferring intermediate range structure by theoretical modelling. (J.S.)

  17. Computer simulations applied in materials

    International Nuclear Information System (INIS)

    2003-01-01

    This workshop takes stock of the simulation methods applied to nuclear materials and discusses the conditions in which these methods can predict physical results when no experimental data are available. The main topic concerns the radiation effects in oxides and includes also the behaviour of fission products in ceramics, the diffusion and segregation phenomena and the thermodynamical properties under irradiation. This document brings together a report of the previous 2002 workshop and the transparencies of 12 presentations among the 15 given at the workshop: accommodation of uranium and plutonium in pyrochlores; radiation effects in La 2 Zr 2 O 7 pyrochlores; first principle calculations of defects formation energies in the Y 2 (Ti,Sn,Zr) 2 O 7 pyrochlore system; an approximate approach to predicting radiation tolerant materials; molecular dynamics study of the structural effects of displacement cascades in UO 2 ; composition defect maps for A 3+ B 3+ O 3 perovskites; NMR characterization of radiation damaged materials: using simulation to interpret the data; local structure in damaged zircon: a first principle study; simulation studies on SiC; insertion and diffusion of He in 3C-SiC; a review of helium in silica; self-trapped holes in amorphous silicon dioxide: their short-range structure revealed from electron spin resonance and optical measurements and opportunities for inferring intermediate range structure by theoretical modelling. (J.S.)

  18. Computing one of Victor Moll's irresistible integrals with computer algebra

    Directory of Open Access Journals (Sweden)

    Christoph Koutschan

    2008-04-01

    Full Text Available We investigate a certain quartic integral from V. Moll's book “Irresistible Integrals” and demonstrate how it can be solved by computer algebra methods, namely by using non-commutative Gröbner bases. We present recent implementations in the computer algebra systems SINGULAR and MATHEMATICA.

  19. Bibliography for computer security, integrity, and safety

    Science.gov (United States)

    Bown, Rodney L.

    1991-01-01

    A bibliography of computer security, integrity, and safety issues is given. The bibliography is divided into the following sections: recent national publications; books; journal, magazine articles, and miscellaneous reports; conferences, proceedings, and tutorials; and government documents and contractor reports.

  20. Computational Screening of Energy Materials

    DEFF Research Database (Denmark)

    Pandey, Mohnish

    , it is the need of the hour to search for environmentally benign renewable energy resources. The biggest source of the renewable energy is our sun and the immense energy it provides can be used to power the whole planet. However, an efficient way to harvest the solar energy to meet all the energy demand has...... not been realized yet. A promising way to utilize the solar energy is the photon assisted water splitting. The process involves the absorption of sunlight with a semiconducting material (or a photoabsorber) and the generated electron-hole pair can be used to produce hydrogen by splitting the water. However...... an accurate description of the energies with the first-principle calculations. Therefore, along this line the accuracy and predictability of the Meta-Generalized Gradient Approximation functional with Bayesian error estimation is also assessed....

  1. Computational Nanotechnology Molecular Electronics, Materials and Machines

    Science.gov (United States)

    Srivastava, Deepak; Biegel, Bryan A. (Technical Monitor)

    2002-01-01

    This presentation covers research being performed on computational nanotechnology, carbon nanotubes and fullerenes at the NASA Ames Research Center. Topics cover include: nanomechanics of nanomaterials, nanotubes and composite materials, molecular electronics with nanotube junctions, kinky chemistry, and nanotechnology for solid-state quantum computers using fullerenes.

  2. Proceedings of computational methods in materials science

    International Nuclear Information System (INIS)

    Mark, J.E. Glicksman, M.E.; Marsh, S.P.

    1992-01-01

    The Symposium on which this volume is based was conceived as a timely expression of some of the fast-paced developments occurring throughout materials science and engineering. It focuses particularly on those involving modern computational methods applied to model and predict the response of materials under a diverse range of physico-chemical conditions. The current easy access of many materials scientists in industry, government laboratories, and academe to high-performance computers has opened many new vistas for predicting the behavior of complex materials under realistic conditions. Some have even argued that modern computational methods in materials science and engineering are literally redefining the bounds of our knowledge from which we predict structure-property relationships, perhaps forever changing the historically descriptive character of the science and much of the engineering

  3. Integrated computer aided design simulation and manufacture

    OpenAIRE

    Diko, Faek

    1989-01-01

    Computer Aided Design (CAD) and Computer Aided Manufacture (CAM) have been investigated and developed since twenty years as standalone systems. A large number of very powerful but independent packages have been developed for Computer Aided Design,Aanlysis and Manufacture. However, in most cases these packages have poor facility for communicating with other packages. Recently attempts have been made to develop integrated CAD/CAM systems and many software companies a...

  4. Computer design of porous active materials at different dimensional scales

    Science.gov (United States)

    Nasedkin, Andrey

    2017-12-01

    The paper presents a mathematical and computer modeling of effective properties of porous piezoelectric materials of three types: with ordinary porosity, with metallized pore surfaces, and with nanoscale porosity structure. The described integrated approach includes the effective moduli method of composite mechanics, simulation of representative volumes, and finite element method.

  5. Call Centre- Computer Telephone Integration

    Directory of Open Access Journals (Sweden)

    Dražen Kovačević

    2012-10-01

    Full Text Available Call centre largely came into being as a result of consumerneeds converging with enabling technology- and by the companiesrecognising the revenue opportunities generated by meetingthose needs thereby increasing customer satisfaction. Regardlessof the specific application or activity of a Call centre, customersatisfaction with the interaction is critical to the revenuegenerated or protected by the Call centre. Physical(v, Call centreset up is a place that includes computer, telephone and supervisorstation. Call centre can be available 24 hours a day - whenthe customer wants to make a purchase, needs information, orsimply wishes to register a complaint.

  6. Application of cluster computing in materials science

    International Nuclear Information System (INIS)

    Kuzmin, A.

    2006-01-01

    Solution of many problems in materials science requires that high performance computing (HPC) be used. Therefore, a cluster computer, Latvian Super-cluster (LASC), was constructed at the Institute of Solid State Physics of the University of Latvia in 2002. The LASC is used for advanced research in the fields of quantum chemistry, solid state physics and nano materials. In this work we overview currently available computational technologies and exemplify their application by interpretation of x-ray absorption spectra for nano-sized ZnO. (author)

  7. Neuromorphic Computing – From Materials Research to Systems Architecture Roundtable

    Energy Technology Data Exchange (ETDEWEB)

    Schuller, Ivan K. [Univ. of California, San Diego, CA (United States); Stevens, Rick [Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Chicago, IL (United States); Pino, Robinson [Dept. of Energy (DOE) Office of Science, Washington, DC (United States); Pechan, Michael [Dept. of Energy (DOE) Office of Science, Washington, DC (United States)

    2015-10-29

    Computation in its many forms is the engine that fuels our modern civilization. Modern computation—based on the von Neumann architecture—has allowed, until now, the development of continuous improvements, as predicted by Moore’s law. However, computation using current architectures and materials will inevitably—within the next 10 years—reach a limit because of fundamental scientific reasons. DOE convened a roundtable of experts in neuromorphic computing systems, materials science, and computer science in Washington on October 29-30, 2015 to address the following basic questions: Can brain-like (“neuromorphic”) computing devices based on new material concepts and systems be developed to dramatically outperform conventional CMOS based technology? If so, what are the basic research challenges for materials sicence and computing? The overarching answer that emerged was: The development of novel functional materials and devices incorporated into unique architectures will allow a revolutionary technological leap toward the implementation of a fully “neuromorphic” computer. To address this challenge, the following issues were considered: The main differences between neuromorphic and conventional computing as related to: signaling models, timing/clock, non-volatile memory, architecture, fault tolerance, integrated memory and compute, noise tolerance, analog vs. digital, and in situ learning New neuromorphic architectures needed to: produce lower energy consumption, potential novel nanostructured materials, and enhanced computation Device and materials properties needed to implement functions such as: hysteresis, stability, and fault tolerance Comparisons of different implementations: spin torque, memristors, resistive switching, phase change, and optical schemes for enhanced breakthroughs in performance, cost, fault tolerance, and/or manufacturability.

  8. DNA-Enabled Integrated Molecular Systems for Computation and Sensing

    Science.gov (United States)

    2014-05-21

    Computational devices can be chemically conjugated to different strands of DNA that are then self-assembled according to strict Watson − Crick binding rules... DNA -Enabled Integrated Molecular Systems for Computation and Sensing Craig LaBoda,† Heather Duschl,† and Chris L. Dwyer*,†,‡ †Department of...guided folding of DNA , inspired by nature, allows designs to manipulate molecular-scale processes unlike any other material system. Thus, DNA can be

  9. Computational methods for coupling microstructural and micromechanical materials response simulations

    Energy Technology Data Exchange (ETDEWEB)

    HOLM,ELIZABETH A.; BATTAILE,CORBETT C.; BUCHHEIT,THOMAS E.; FANG,HUEI ELIOT; RINTOUL,MARK DANIEL; VEDULA,VENKATA R.; GLASS,S. JILL; KNOROVSKY,GERALD A.; NEILSEN,MICHAEL K.; WELLMAN,GERALD W.; SULSKY,DEBORAH; SHEN,YU-LIN; SCHREYER,H. BUCK

    2000-04-01

    Computational materials simulations have traditionally focused on individual phenomena: grain growth, crack propagation, plastic flow, etc. However, real materials behavior results from a complex interplay between phenomena. In this project, the authors explored methods for coupling mesoscale simulations of microstructural evolution and micromechanical response. In one case, massively parallel (MP) simulations for grain evolution and microcracking in alumina stronglink materials were dynamically coupled. In the other, codes for domain coarsening and plastic deformation in CuSi braze alloys were iteratively linked. this program provided the first comparison of two promising ways to integrate mesoscale computer codes. Coupled microstructural/micromechanical codes were applied to experimentally observed microstructures for the first time. In addition to the coupled codes, this project developed a suite of new computational capabilities (PARGRAIN, GLAD, OOF, MPM, polycrystal plasticity, front tracking). The problem of plasticity length scale in continuum calculations was recognized and a solution strategy was developed. The simulations were experimentally validated on stockpile materials.

  10. Computational materials chemistry for carbon capture using porous materials

    International Nuclear Information System (INIS)

    Sharma, Abhishek; Malani, Ateeque; Huang, Runhong; Babarao, Ravichandar

    2017-01-01

    Control over carbon dioxide (CO 2 ) release is extremely important to decrease its hazardous effects on the environment such as global warming, ocean acidification, etc. For CO 2 capture and storage at industrial point sources, nanoporous materials offer an energetically viable and economically feasible approach compared to chemisorption in amines. There is a growing need to design and synthesize new nanoporous materials with enhanced capability for carbon capture. Computational materials chemistry offers tools to screen and design cost-effective materials for CO 2 separation and storage, and it is less time consuming compared to trial and error experimental synthesis. It also provides a guide to synthesize new materials with better properties for real world applications. In this review, we briefly highlight the various carbon capture technologies and the need of computational materials design for carbon capture. This review discusses the commonly used computational chemistry-based simulation methods for structural characterization and prediction of thermodynamic properties of adsorbed gases in porous materials. Finally, simulation studies reported on various potential porous materials, such as zeolites, porous carbon, metal organic frameworks (MOFs) and covalent organic frameworks (COFs), for CO 2 capture are discussed. (topical review)

  11. 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...

  12. Materials and integration schemes for above-IC integrated optics

    NARCIS (Netherlands)

    Schmitz, Jurriaan; Rangarajan, B.; Kovalgin, Alexeij Y.

    2014-01-01

    A study is presented on silicon oxynitride material for waveguides and germanium-silicon alloys for p-i-n diodes. The materials are manufactured at low, CMOS-backend compatible temperatures, targeting the integration of optical functions on top of CMOS chips. Low-temperature germanium-silicon

  13. Structural integrity of materials in nuclear service: a bibliography

    International Nuclear Information System (INIS)

    Heddleson, F.A.

    1977-01-01

    This report contains 679 abstracts from the Nuclear Safety Information Center (NSIC) computer file dated 1973 through 1976 covering material properties with respect to structural integrity. All materials important to the nuclear industry (except concrete) are covered for mechanical properties, chemical properties, corrosion, fracture or failure, radiation damage, creep, cracking, and swelling. Keyword, author, and permuted-title indexes are included for the convenience of the user

  14. Structural integrity of materials in nuclear service: a bibliography

    Energy Technology Data Exchange (ETDEWEB)

    Heddleson, F.A.

    1977-06-07

    This report contains 679 abstracts from the Nuclear Safety Information Center (NSIC) computer file dated 1973 through 1976 covering material properties with respect to structural integrity. All materials important to the nuclear industry (except concrete) are covered for mechanical properties, chemical properties, corrosion, fracture or failure, radiation damage, creep, cracking, and swelling. Keyword, author, and permuted-title indexes are included for the convenience of the user.

  15. Integrated lunar materials manufacturing process

    Science.gov (United States)

    Gibson, Michael A. (Inventor); Knudsen, Christian W. (Inventor)

    1990-01-01

    A manufacturing plant and process for production of oxygen on the moon uses lunar minerals as feed and a minimum of earth-imported, process materials. Lunar feed stocks are hydrogen-reducible minerals, ilmenite and lunar agglutinates occurring in numerous, explored locations mixed with other minerals in the pulverized surface layer of lunar soil known as regolith. Ilmenite (FeTiO.sub.3) and agglutinates contain ferrous (Fe.sup.+2) iron reducible by hydrogen to yield H.sub.2 O and metallic Fe at about 700.degree.-1,200.degree. C. The H.sub.2 O is electrolyzed in gas phase to yield H.sub.2 for recycle and O.sub.2 for storage and use. Hydrogen losses to lunar vacuum are minimized, with no net hydrogen (or any other earth-derived reagent) consumption except for small leaks. Feed minerals are surface-mined by front shovels and transported in trucks to the processing area. The machines are manned or robotic. Ilmenite and agglutinates occur mixed with silicate minerals which are not hydrogen-reducible at 700.degree.-1,200.degree. C. and consequently are separated and concentrated before feeding to the oxygen generation process. Solids rejected from the separation step and reduced solids from the oxygen process are returned to the mine area. The plant is powered by nuclear or solar power generators. Vapor-phase water electrolysis, a staged, countercurrent, fluidized bed reduction reactor and a radio-frequency-driven ceramic gas heater are used to improve thermal efficiency.

  16. Materials issues in silicon integrated circuit processing

    International Nuclear Information System (INIS)

    Wittmer, M.; Stimmell, J.; Strathman, M.

    1986-01-01

    The symposium on ''Materials Issues in Integrated Circuit Processing'' sought to bring together all of the materials issued pertinent to modern integrated circuit processing. The inherent properties of the materials are becoming an important concern in integrated circuit manufacturing and accordingly research in materials science is vital for the successful implementation of modern integrated circuit technology. The session on Silicon Materials Science revealed the advanced stage of knowledge which topics such as point defects, intrinsic and extrinsic gettering and diffusion kinetics have achieved. Adaption of this knowledge to specific integrated circuit processing technologies is beginning to be addressed. The session on Epitaxy included invited papers on epitaxial insulators and IR detectors. Heteroepitaxy on silicon is receiving great attention and the results presented in this session suggest that 3-d integrated structures are an increasingly realistic possibility. Progress in low temperature silicon epitaxy and epitaxy of thin films with abrupt interfaces was also reported. Diffusion and Ion Implantation were well presented. Regrowth of implant-damaged layers and the nature of the defects which remain after regrowth were discussed in no less than seven papers. Substantial progress was also reported in the understanding of amorphising boron implants and the use of gallium implants for the formation of shallow p/sup +/ -layers

  17. Optimisation of integrated energy and materials systems

    International Nuclear Information System (INIS)

    Gielen, D.J.; Okken, P.A.

    1994-06-01

    To define cost-effective long term CO2 reduction strategies an integrated energy and materials system model for the Netherlands for the period 2000-2040 is developed. The model is based upon the energy system model MARKAL, which configures an optimal mix of technologies to satisfy the specified energy and product/materials service demands. This study concentrates on CO 2 emission reduction in the materials system. For this purpose, the energy system model is enlarged with a materials system model including all steps 'from cradle to grave'. The materials system model includes 29 materials, 20 product groups and 30 waste materials. The system is divided into seven types of technologies; 250 technologies are modeled. The results show that the integrated optimisation of the energy system and the materials system can significantly reduce the emission reduction costs, especially at higher reduction percentages. The reduction is achieved through shifts in materials production and waste handling and through materials substitution in products. Shifts in materials production and waste management seem cost-effective, while the cost-effectiveness of shifts in product composition is sensitive due to the cost structure of products. For the building sector, transportation applications and packaging, CO 2 policies show a significant impact on prices, and shifts in product composition could occur. For other products, the reduction through materials substitution seems less promising. The impact on materials consumption seems most significant for cement (reduced), timber and aluminium (both increased). For steel and plastics, the net effect is balanced, but shifts between applications do occur. The MARKAL-approach is feasible to study integrated energy and materials systems. The progress compared to other environmental system analysis instruments is much more insight in the interaction of technologies on a national scale and in time

  18. Integrating Computer-Mediated Communication Strategy Instruction

    Science.gov (United States)

    McNeil, Levi

    2016-01-01

    Communication strategies (CSs) play important roles in resolving problematic second language interaction and facilitating language learning. While studies in face-to-face contexts demonstrate the benefits of communication strategy instruction (CSI), there have been few attempts to integrate computer-mediated communication and CSI. The study…

  19. Computational Materials Program for Alloy Design

    Science.gov (United States)

    Bozzolo, Guillermo

    2005-01-01

    The research program sponsored by this grant, "Computational Materials Program for Alloy Design", covers a period of time of enormous change in the emerging field of computational materials science. The computational materials program started with the development of the BFS method for alloys, a quantum approximate method for atomistic analysis of alloys specifically tailored to effectively deal with the current challenges in the area of atomistic modeling and to support modern experimental programs. During the grant period, the program benefited from steady growth which, as detailed below, far exceeds its original set of goals and objectives. Not surprisingly, by the end of this grant, the methodology and the computational materials program became an established force in the materials communitiy, with substantial impact in several areas. Major achievements during the duration of the grant include the completion of a Level 1 Milestone for the HITEMP program at NASA Glenn, consisting of the planning, development and organization of an international conference held at the Ohio Aerospace Institute in August of 2002, finalizing a period of rapid insertion of the methodology in the research community worlwide. The conference, attended by citizens of 17 countries representing various fields of the research community, resulted in a special issue of the leading journal in the area of applied surface science. Another element of the Level 1 Milestone was the presentation of the first version of the Alloy Design Workbench software package, currently known as "adwTools". This software package constitutes the first PC-based piece of software for atomistic simulations for both solid alloys and surfaces in the market.Dissemination of results and insertion in the materials community worldwide was a primary focus during this period. As a result, the P.I. was responsible for presenting 37 contributed talks, 19 invited talks, and publishing 71 articles in peer-reviewed journals, as

  20. Y-12 Integrated Materials Management System

    Energy Technology Data Exchange (ETDEWEB)

    Alspaugh, D. H.; Hickerson, T. W.

    2002-06-03

    The Integrated Materials Management System, when fully implemented, will provide the Y-12 National Security Complex with advanced inventory information and analysis capabilities and enable effective assessment, forecasting and management of nuclear materials, critical non-nuclear materials, and certified supplies. These capabilities will facilitate future Y-12 stockpile management work, enhance interfaces to existing National Nuclear Security Administration (NNSA) corporate-level information systems, and enable interfaces to planned NNSA systems. In the current national nuclear defense environment where, for example, weapons testing is not permitted, material managers need better, faster, more complete information about material properties and characteristics. They now must manage non-special nuclear material at the same high-level they have managed SNM, and information capabilities about both must be improved. The full automation and integration of business activities related to nuclear and non-nuclear materials that will be put into effect by the Integrated Materials Management System (IMMS) will significantly improve and streamline the process of providing vital information to Y-12 and NNSA managers. This overview looks at the kinds of information improvements targeted by the IMMS project, related issues, the proposed information architecture, and the progress to date in implementing the system.

  1. Y-12 Integrated Materials Management System

    International Nuclear Information System (INIS)

    Alspaugh, D. H.; Hickerson, T. W.

    2002-01-01

    The Integrated Materials Management System, when fully implemented, will provide the Y-12 National Security Complex with advanced inventory information and analysis capabilities and enable effective assessment, forecasting and management of nuclear materials, critical non-nuclear materials, and certified supplies. These capabilities will facilitate future Y-12 stockpile management work, enhance interfaces to existing National Nuclear Security Administration (NNSA) corporate-level information systems, and enable interfaces to planned NNSA systems. In the current national nuclear defense environment where, for example, weapons testing is not permitted, material managers need better, faster, more complete information about material properties and characteristics. They now must manage non-special nuclear material at the same high-level they have managed SNM, and information capabilities about both must be improved. The full automation and integration of business activities related to nuclear and non-nuclear materials that will be put into effect by the Integrated Materials Management System (IMMS) will significantly improve and streamline the process of providing vital information to Y-12 and NNSA managers. This overview looks at the kinds of information improvements targeted by the IMMS project, related issues, the proposed information architecture, and the progress to date in implementing the system

  2. Probabilistic data integration and computational complexity

    Science.gov (United States)

    Hansen, T. M.; Cordua, K. S.; Mosegaard, K.

    2016-12-01

    Inverse problems in Earth Sciences typically refer to the problem of inferring information about properties of the Earth from observations of geophysical data (the result of nature's solution to the `forward' problem). This problem can be formulated more generally as a problem of `integration of information'. A probabilistic formulation of data integration is in principle simple: If all information available (from e.g. geology, geophysics, remote sensing, chemistry…) can be quantified probabilistically, then different algorithms exist that allow solving the data integration problem either through an analytical description of the combined probability function, or sampling the probability function. In practice however, probabilistic based data integration may not be easy to apply successfully. This may be related to the use of sampling methods, which are known to be computationally costly. But, another source of computational complexity is related to how the individual types of information are quantified. In one case a data integration problem is demonstrated where the goal is to determine the existence of buried channels in Denmark, based on multiple sources of geo-information. Due to one type of information being too informative (and hence conflicting), this leads to a difficult sampling problems with unrealistic uncertainty. Resolving this conflict prior to data integration, leads to an easy data integration problem, with no biases. In another case it is demonstrated how imperfections in the description of the geophysical forward model (related to solving the wave-equation) can lead to a difficult data integration problem, with severe bias in the results. If the modeling error is accounted for, the data integration problems becomes relatively easy, with no apparent biases. Both examples demonstrate that biased information can have a dramatic effect on the computational efficiency solving a data integration problem and lead to biased results, and under

  3. Integrating Computer Concepts into Principles of Accounting.

    Science.gov (United States)

    Beck, Henry J.; Parrish, Roy James, Jr.

    A package of instructional materials for an undergraduate principles of accounting course at Danville Community College was developed based upon the following assumptions: (1) the principles of accounting student does not need to be able to write computer programs; (2) computerized accounting concepts should be presented in this course; (3)…

  4. Path-integral computation of superfluid densities

    International Nuclear Information System (INIS)

    Pollock, E.L.; Ceperley, D.M.

    1987-01-01

    The normal and superfluid densities are defined by the response of a liquid to sample boundary motion. The free-energy change due to uniform boundary motion can be calculated by path-integral methods from the distribution of the winding number of the paths around a periodic cell. This provides a conceptually and computationally simple way of calculating the superfluid density for any Bose system. The linear-response formulation relates the superfluid density to the momentum-density correlation function, which has a short-ranged part related to the normal density and, in the case of a superfluid, a long-ranged part whose strength is proportional to the superfluid density. These facts are discussed in the context of path-integral computations and demonstrated for liquid 4 He along the saturated vapor-pressure curve. Below the experimental superfluid transition temperature the computed superfluid fractions agree with the experimental values to within the statistical uncertainties of a few percent in the computations. The computed transition is broadened by finite-sample-size effects

  5. Optimizing a reconfigurable material via evolutionary computation

    Science.gov (United States)

    Wilken, Sam; Miskin, Marc Z.; Jaeger, Heinrich M.

    2015-08-01

    Rapid prototyping by combining evolutionary computation with simulations is becoming a powerful tool for solving complex design problems in materials science. This method of optimization operates in a virtual design space that simulates potential material behaviors and after completion needs to be validated by experiment. However, in principle an evolutionary optimizer can also operate on an actual physical structure or laboratory experiment directly, provided the relevant material parameters can be accessed by the optimizer and information about the material's performance can be updated by direct measurements. Here we provide a proof of concept of such direct, physical optimization by showing how a reconfigurable, highly nonlinear material can be tuned to respond to impact. We report on an entirely computer controlled laboratory experiment in which a 6 ×6 grid of electromagnets creates a magnetic field pattern that tunes the local rigidity of a concentrated suspension of ferrofluid and iron filings. A genetic algorithm is implemented and tasked to find field patterns that minimize the force transmitted through the suspension. Searching within a space of roughly 1010 possible configurations, after testing only 1500 independent trials the algorithm identifies an optimized configuration of layered rigid and compliant regions.

  6. Computational Amphiphilic Materials for Drug Delivery

    Directory of Open Access Journals (Sweden)

    Naresh eThota

    2015-10-01

    Full Text Available Amphiphilic materials can assemble into a wide variety of morphologies and have emerged as a novel class of candidates for drug delivery. Along with a large number of experiments reported, computational studies have been also conducted in this field. At an atomistic/molecular level, computations can facilitate quantitative understanding of experimental observations and secure fundamental interpretation of underlying phenomena. This review summarizes the recent computational efforts on amphiphilic copolymers and peptides for drug delivery. Atom-resolution and time-resolved insights are provided from bottom-up to microscopically elucidate the mechanisms of drug loading/release, which are indispensable in the rational screening and design of new amphiphiles for high-efficacy drug delivery.

  7. Computational Chemistry Toolkit for Energetic Materials Design

    Science.gov (United States)

    2006-11-01

    industry are aggressively engaged in efforts to develop multiscale modeling and simulation methodologies to model and analyze complex phenomena across...energetic materials design. It is hoped that this toolkit will evolve into a collection of well-integrated multiscale modeling methodologies...Experimenta Theoreticala This Work 1-5-Diamino-4- methyl- tetrazolium nitrate 8.4 41.7 47.5 1-5-Diamino-4- methyl- tetrazolium azide 138.1 161.6

  8. Reactor core materials research and integrated material database establishment

    International Nuclear Information System (INIS)

    Ryu, Woo Seog; Jang, J. S.; Kim, D. W.

    2002-03-01

    Mainly two research areas were covered in this project. One is to establish the integrated database of nuclear materials, and the other is to study the behavior of reactor core materials, which are usually under the most severe condition in the operating plants. During the stage I of the project (for three years since 1999) in- and out of reactor properties of stainless steel, the major structural material for the core structures of PWR (Pressurized Water Reactor), were evaluated and specification of nuclear grade material was established. And the damaged core components from domestic power plants, e.g. orifice of CVCS, support pin of CRGT, etc. were investigated and the causes were revealed. To acquire more resistant materials to the nuclear environments, development of the alternative alloys was also conducted. For the integrated DB establishment, a task force team was set up including director of nuclear materials technology team, and projector leaders and relevant members from each project. The DB is now opened in public through the Internet

  9. Advanced materials for integrated optical waveguides

    CERN Document Server

    Tong Ph D, Xingcun Colin

    2014-01-01

    This book provides a comprehensive introduction to integrated optical waveguides for information technology and data communications. Integrated coverage ranges from advanced materials, fabrication, and characterization techniques to guidelines for design and simulation. A concluding chapter offers perspectives on likely future trends and challenges. The dramatic scaling down of feature sizes has driven exponential improvements in semiconductor productivity and performance in the past several decades. However, with the potential of gigascale integration, size reduction is approaching a physical limitation due to the negative impact on resistance and inductance of metal interconnects with current copper-trace based technology. Integrated optics provides a potentially lower-cost, higher performance alternative to electronics in optical communication systems. Optical interconnects, in which light can be generated, guided, modulated, amplified, and detected, can provide greater bandwidth, lower power consumption, ...

  10. Integrated computer-aided design using minicomputers

    Science.gov (United States)

    Storaasli, O. O.

    1980-01-01

    Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.

  11. Integral gnosis and the material other

    Directory of Open Access Journals (Sweden)

    Eero Karhu

    2015-11-01

    Full Text Available In this article, I look at Ken Wilber’s Integral Theory as mimesis. This invites me to look at Integral Theory in three ways. First, I look at Integral Theory as process of making materialistic alterity, thus maintaining and fortifying the spirituality of the self. Second, I look at it from the perspective of the dialectics of epistemologies of estrangement and intimacy, raising questions concerning the legitimacy of the juxtaposing interpretative and explanatory approaches to culture. Third, I look at it from a social perspective, as a powerful instance of modern mimesis that creates a typically modern history. I will show how Integral Theory is grounded in the modern intuition of agency being distinct from and superior to the outer material world. To the extent that cultural agency has to materialize in some form, so does Integral Theory. My aim is to recall the close relations of scientific discourse with spirituality, even with magic and even more importantly, I want to show how supposedly secular intuitions of identity and agency bear strong potential for spiritual and religious discourse.

  12. Computed tomography of radioactive objects and materials

    International Nuclear Information System (INIS)

    Sawicka, B.D.; Murphy, R.V.; Tosello, G.; Reynolds, P.W.; Romaniszyn, T.

    1990-01-01

    Computed tomography (CT) has been performed on a number of radioactive objects and materials. Several unique technical problems are associated with CT of radioactive specimens. These include general safety considerations, techniques to reduce background-radiation effects on CT images and selection criteria for the CT source to permit object penetration and to reveal accurate values of material density. In the present paper, three groups of experiments will be described, for objects with low, medium and high levels of radioactivity. CT studies on radioactive specimens will be presented. They include the following: (1) examination of individual ceramic reactor-fuel (uranium dioxide) pellets, (2) examination of fuel samples from the Three Mile Island reactor, (3) examination of a CANDU (CANada Deuterium Uranium: registered trademark) nuclear-fuel bundle which underwent a simulated loss-of-coolant accident resulting in high-temperature damage and (4) examination of a PWR nuclear-reactor fuel assembly. (orig.)

  13. Computational research on lithium ion battery materials

    Science.gov (United States)

    Tang, Ping

    Crystals of LiFePO4 and related materials have recently received a lot of attention due to their very promising use as cathodes in rechargeable lithium ion batteries. This thesis studied the electronic structures of FePO 4 and LiMPO4, where M=Mn, Fe, Co and Ni within the framework of density-functional theory. The first study compared the electronic structures of the LiMPO 4 and FePO4 materials in their electrochemically active olivine form, using the LAPW (linear augmented plane wave) method [1]. A comparison of results for various spin configurations suggested that the ferromagnetic configuration can serve as a useful approximation for studying general features of these systems. The partial densities of states for the LiMPO4 materials are remarkably similar to each other, showing the transition metal 3d states forming narrow bands above the O 2p band. By contrast, in absence of Li, the majority spin transition metal 3d states are well-hybridized with the O 2p band in FePO4. The second study compared the electronic structures of FePO4 in several crystal structures including an olivine, monoclinic, quartz-like, and CrVO4-like form [2,3]. For this work, in addition to the LAPW method, PAW (Projector Augmented Wave) [4], and PWscf (plane-wave pseudopotential) [5] methods were used. By carefully adjusting the computational parameters, very similar results were achieved for the three independent computational methods. Results for the relative stability of the four crystal structures are reported. In addition, partial densities of state analyses show qualitative information about the crystal field splittings and bond hybridizations and help rationalize the understanding of the electrochemical and stability properties of these materials.

  14. Integrated Global Nuclear Materials Management Preliminary Concepts

    International Nuclear Information System (INIS)

    Jones, E; Dreicer, M.

    2006-01-01

    The world is at a turning point, moving away from the Cold War nuclear legacy towards a future global nuclear enterprise; and this presents a transformational challenge for nuclear materials management. Achieving safety and security during this transition is complicated by the diversified spectrum of threat 'players' that has greatly impacted nonproliferation, counterterrorism, and homeland security requirements. Rogue states and non-state actors no longer need self-contained national nuclear expertise, materials, and equipment due to availability from various sources in the nuclear market, thereby reducing the time, effort and cost for acquiring a nuclear weapon (i.e., manifestations of latency). The terrorist threat has changed the nature of military and national security requirements to protect these materials. An Integrated Global Nuclear Materials Management (IGNMM) approach would address the existing legacy nuclear materials and the evolution towards a nuclear energy future, while strengthening a regime to prevent nuclear weapon proliferation. In this paper, some preliminary concepts and studies of IGNMM will be presented. A systematic analysis of nuclear materials, activities, and controls can lead to a tractable, integrated global nuclear materials management architecture that can help remediate the past and manage the future. A systems approach is best suited to achieve multi-dimensional and interdependent solutions, including comprehensive, end-to-end capabilities; coordinated diverse elements for enhanced functionality with economy; and translation of goals/objectives or standards into locally optimized solutions. A risk-informed basis is excellent for evaluating system alternatives and performances, and it is especially appropriate for the security arena. Risk management strategies--such as defense-in-depth, diversity, and control quality--help to weave together various technologies and practices into a strong and robust security fabric. Effective

  15. COMPUTER INTEGRATED MANUFACTURING: OVERVIEW OF MODERN STANDARDS

    Directory of Open Access Journals (Sweden)

    A. Рupena

    2016-09-01

    Full Text Available The article deals with modern international standards ISA-95 and ISA-88 on the development of computer inegreted manufacturing. It is shown scope of standards in the context of a hierarchical model of the enterprise. Article is built in such a way to describe the essence of the standards in the light of the basic descriptive models: product definition, resources, schedules and actual performance of industrial activity. Description of the product definition is given by hierarchical presentation of products at various levels of management. Much attention is given to describe this type of resources like equipment, which is logical chain to all these standards. For example, the standard batch process control shows the relationship between the definition of product and equipment on which it is made. The article shows the hierarchy of planning ERP-MES / MOM-SCADA (in terms of standard ISA-95, which traces the decomposition of common production plans of enterprises for specific works at APCS. We consider the appointment of the actual performance of production at MES / MOM considering KPI. Generalized picture of operational activity on a level MES / MOM is shown via general circuit diagrams of the relationship of activities and information flows between the functions. The article is finished by a substantiation of necessity of distribution, approval and development of standards ISA-88 and ISA-95 in Ukraine. The article is an overview and can be useful to specialists in computer-integrated systems control and management of industrial enterprises, system integrators and suppliers.

  16. COGMIR: A computer model for knowledge integration

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Z.X.

    1988-01-01

    This dissertation explores some aspects of knowledge integration, namely, accumulation of scientific knowledge and performing analogical reasoning on the acquired knowledge. Knowledge to be integrated is conveyed by paragraph-like pieces referred to as documents. By incorporating some results from cognitive science, the Deutsch-Kraft model of information retrieval is extended to a model for knowledge engineering, which integrates acquired knowledge and performs intelligent retrieval. The resulting computer model is termed COGMIR, which stands for a COGnitive Model for Intelligent Retrieval. A scheme, named query invoked memory reorganization, is used in COGMIR for knowledge integration. Unlike some other schemes which realize knowledge integration through subjective understanding by representing new knowledge in terms of existing knowledge, the proposed scheme suggests at storage time only recording the possible connection of knowledge acquired from different documents. The actual binding of the knowledge acquired from different documents is deferred to query time. There is only one way to store knowledge and numerous ways to utilize the knowledge. Each document can be represented as a whole as well as its meaning. In addition, since facts are constructed from the documents, document retrieval and fact retrieval are treated in a unified way. When the requested knowledge is not available, query invoked memory reorganization can generate suggestion based on available knowledge through analogical reasoning. This is done by revising the algorithms developed for document retrieval and fact retrieval, and by incorporating Gentner's structure mapping theory. Analogical reasoning is treated as a natural extension of intelligent retrieval, so that two previously separate research areas are combined. A case study is provided. All the components are implemented as list structures similar to relational data-bases.

  17. National Ignition Facility integrated computer control system

    International Nuclear Information System (INIS)

    Van Arsdall, P.J. LLNL

    1998-01-01

    The NIF design team is developing the Integrated Computer Control System (ICCS), which is based on an object-oriented software framework applicable to event-driven control systems. The framework provides an open, extensible architecture that is sufficiently abstract to construct future mission-critical control systems. The ICCS will become operational when the first 8 out of 192 beams are activated in mid 2000. The ICCS consists of 300 front-end processors attached to 60,000 control points coordinated by a supervisory system. Computers running either Solaris or VxWorks are networked over a hybrid configuration of switched fast Ethernet and asynchronous transfer mode (ATM). ATM carries digital motion video from sensors to operator consoles. Supervisory software is constructed by extending the reusable framework components for each specific application. The framework incorporates services for database persistence, system configuration, graphical user interface, status monitoring, event logging, scripting language, alert management, and access control. More than twenty collaborating software applications are derived from the common framework. The framework is interoperable among different kinds of computers and functions as a plug-in software bus by leveraging a common object request brokering architecture (CORBA). CORBA transparently distributes the software objects across the network. Because of the pivotal role played, CORBA was tested to ensure adequate performance

  18. Computational materials design for energy applications

    Science.gov (United States)

    Ozolins, Vidvuds

    2013-03-01

    General adoption of sustainable energy technologies depends on the discovery and development of new high-performance materials. For instance, waste heat recovery and electricity generation via the solar thermal route require bulk thermoelectrics with a high figure of merit (ZT) and thermal stability at high-temperatures. Energy recovery applications (e.g., regenerative braking) call for the development of rapidly chargeable systems for electrical energy storage, such as electrochemical supercapacitors. Similarly, use of hydrogen as vehicular fuel depends on the ability to store hydrogen at high volumetric and gravimetric densities, as well as on the ability to extract it at ambient temperatures at sufficiently rapid rates. We will discuss how first-principles computational methods based on quantum mechanics and statistical physics can drive the understanding, improvement and prediction of new energy materials. We will cover prediction and experimental verification of new earth-abundant thermoelectrics, transition metal oxides for electrochemical supercapacitors, and kinetics of mass transport in complex metal hydrides. Research has been supported by the US Department of Energy under grant Nos. DE-SC0001342, DE-SC0001054, DE-FG02-07ER46433, and DE-FC36-08GO18136.

  19. Integrated optical circuits for numerical computation

    Science.gov (United States)

    Verber, C. M.; Kenan, R. P.

    1983-01-01

    The development of integrated optical circuits (IOC) for numerical-computation applications is reviewed, with a focus on the use of systolic architectures. The basic architecture criteria for optical processors are shown to be the same as those proposed by Kung (1982) for VLSI design, and the advantages of IOCs over bulk techniques are indicated. The operation and fabrication of electrooptic grating structures are outlined, and the application of IOCs of this type to an existing 32-bit, 32-Mbit/sec digital correlator, a proposed matrix multiplier, and a proposed pipeline processor for polynomial evaluation is discussed. The problems arising from the inherent nonlinearity of electrooptic gratings are considered. Diagrams and drawings of the application concepts are provided.

  20. ASCR Cybersecurity for Scientific Computing Integrity

    Energy Technology Data Exchange (ETDEWEB)

    Piesert, Sean

    2015-02-27

    The Department of Energy (DOE) has the responsibility to address the energy, environmental, and nuclear security challenges that face our nation. Much of DOE’s enterprise involves distributed, collaborative teams; a signi¬cant fraction involves “open science,” which depends on multi-institutional, often international collaborations that must access or share signi¬cant amounts of information between institutions and over networks around the world. The mission of the Office of Science is the delivery of scienti¬c discoveries and major scienti¬c tools to transform our understanding of nature and to advance the energy, economic, and national security of the United States. The ability of DOE to execute its responsibilities depends critically on its ability to assure the integrity and availability of scienti¬c facilities and computer systems, and of the scienti¬c, engineering, and operational software and data that support its mission.

  1. Integrated multiscale modeling of molecular computing devices

    International Nuclear Information System (INIS)

    Cummings, Peter T; Leng Yongsheng

    2005-01-01

    Molecular electronics, in which single organic molecules are designed to perform the functions of transistors, diodes, switches and other circuit elements used in current siliconbased microelecronics, is drawing wide interest as a potential replacement technology for conventional silicon-based lithographically etched microelectronic devices. In addition to their nanoscopic scale, the additional advantage of molecular electronics devices compared to silicon-based lithographically etched devices is the promise of being able to produce them cheaply on an industrial scale using wet chemistry methods (i.e., self-assembly from solution). The design of molecular electronics devices, and the processes to make them on an industrial scale, will require a thorough theoretical understanding of the molecular and higher level processes involved. Hence, the development of modeling techniques for molecular electronics devices is a high priority from both a basic science point of view (to understand the experimental studies in this field) and from an applied nanotechnology (manufacturing) point of view. Modeling molecular electronics devices requires computational methods at all length scales - electronic structure methods for calculating electron transport through organic molecules bonded to inorganic surfaces, molecular simulation methods for determining the structure of self-assembled films of organic molecules on inorganic surfaces, mesoscale methods to understand and predict the formation of mesoscale patterns on surfaces (including interconnect architecture), and macroscopic scale methods (including finite element methods) for simulating the behavior of molecular electronic circuit elements in a larger integrated device. Here we describe a large Department of Energy project involving six universities and one national laboratory aimed at developing integrated multiscale methods for modeling molecular electronics devices. The project is funded equally by the Office of Basic

  2. FFTF integrated leak rate computer system

    International Nuclear Information System (INIS)

    Hubbard, J.A.

    1987-01-01

    The Fast Flux Test Facility (FFTF) is a liquid-metal-cooled test reactor located on the Hanford site. The FFTF is the only reactor of this type designed and operated to meet the licensing requirements of the Nuclear Regulatory Commission. Unique characteristics of the FFTF that present special challenges related to leak rate testing include thin wall containment vessel construction, cover gas systems that penetrate containment, and a low-pressure design basis accident. The successful completion of the third FFTF integrated leak rate test 5 days ahead of schedule and 10% under budget was a major achievement for the Westinghouse Hanford Company. The success of this operational safety test was due in large part to a special network (LAN) of three IBM PC/XT computers, which monitored the sensor data, calculated the containment vessel leak rate, and displayed test results. The equipment configuration allowed continuous monitoring of the progress of the test independent of the data acquisition and analysis functions, and it also provided overall improved system reliability by permitting immediate switching to backup computers in the event of equipment failure

  3. Integrating UNESCO ICT-Based Instructional Materials in Chemistry Lessons

    Directory of Open Access Journals (Sweden)

    CHARLIE P. NACARIO

    2014-08-01

    Full Text Available This study determined the effectiveness of the lessons in Chemistry integrating UNESCO ICT-based instructional material on the achievement of Chemistry students at Central Bicol State University of Agriculture. It aimed to identify lessons that may be developed integrating UNESCO ICT-based instructional materials, determine the effect of the developed lessons using the material on: conceptual understanding; science process skills; and attitude towards chemistry and gather insights from the experiences of the students and teacher. The study used the single group pretest and posttest experimental design. Descriptive, quantitative and qualitative techniques were also utilized. Quantitative data were taken from the pretest-posttest results on the Test on Conceptual Understanding, Science Process Skills and Chemistry Attitudinaire. Qualitative data were drawn from the experts’ assessment of the developed lessons and research instruments, and the insights of students and teacher. The developed lessons integrating UNESCO ICT-based instructional materials were Atomic Model and Structure, Periodic Table of Elements, Chemical Bonding, and Balancing Chemical Equation. These lessons increased the conceptual understanding of the students by topic and skill from very low mastery to average mastery level. The students have slightly improved along the different science process skills. After teaching the lessons, the students’ attitude also improved. The students became more motivated and interested in Chemistry and the lessons were student centered and entailed teacher’s competence and flexibility in computer use.

  4. Computer generation of integrands for Feynman parametric integrals

    International Nuclear Information System (INIS)

    Cvitanovic, Predrag

    1973-01-01

    TECO text editing language, available on PDP-10 computers, is used for the generation and simplification of Feynman integrals. This example shows that TECO can be a useful computational tool in complicated calculations where similar algebraic structures recur many times

  5. Integrating ICT with education: using computer games to enhance ...

    African Journals Online (AJOL)

    Integrating ICT with education: using computer games to enhance learning mathematics at undergraduate level. ... This research seeks to look into ways in which computer games as ICT tools can be used to ... AJOL African Journals Online.

  6. High Temperature Integrated Thermoelectric Ststem and Materials

    Energy Technology Data Exchange (ETDEWEB)

    Mike S. H. Chu

    2011-06-06

    The final goal of this project is to produce, by the end of Phase II, an all ceramic high temperature thermoelectric module. Such a module design integrates oxide ceramic n-type, oxide ceramic p-type materials as thermoelectric legs and oxide ceramic conductive material as metalizing connection between n-type and p-type legs. The benefits of this all ceramic module are that it can function at higher temperatures (> 700 C), it is mechanically and functionally more reliable and it can be scaled up to production at lower cost. With this all ceramic module, millions of dollars in savings or in new opportunities recovering waste heat from high temperature processes could be made available. A very attractive application will be to convert exhaust heat from a vehicle to reusable electric energy by a thermoelectric generator (TEG). Phase I activities were focused on evaluating potential n-type and p-type oxide compositions as the thermoelectric legs. More than 40 oxide ceramic powder compositions were made and studied in the laboratory. The compositions were divided into 6 groups representing different material systems. Basic ceramic properties and thermoelectric properties of discs sintered from these powders were measured. Powders with different particles sizes were made to evaluate the effects of particle size reduction on thermoelectric properties. Several powders were submitted to a leading thermoelectric company for complete thermoelectric evaluation. Initial evaluation showed that when samples were sintered by conventional method, they had reasonable values of Seebeck coefficient but very low values of electrical conductivity. Therefore, their power factors (PF) and figure of merits (ZT) were too low to be useful for high temperature thermoelectric applications. An unconventional sintering method, Spark Plasma Sintering (SPS) was determined to produce better thermoelectric properties. Particle size reduction of powders also was found to have some positive benefits

  7. Lightweight structure design for wind energy by integrating nanostructured materials

    International Nuclear Information System (INIS)

    Li, Ying; Lu, Jian

    2014-01-01

    Highlights: • Integrate high-strength nano-materials into lightweight design. • Lightweight design scheme for wind turbine tower application. • Expand the bending formulae for tapered tubular structures with varying thickness. • We rewrite the Secant Formula for a tapered beam under eccentric compression. - Abstract: Wind power develops very fast nowadays with high expectation. Although at the mean time, the use of taller towers, however, smacks head-on into the issue of transportability. The engineering base and computational tools have to be developed to match machine size and volume. Consequently the research on the light weight structures of tower is carrying out in the main countries which are actively developing wind energy. This paper reports a new design scheme of light weight structure for wind turbine tower. This design scheme is based on the integration of the nanostructured materials produced by the Surface Mechanical Attrition Treatment (SMAT) process. The objective of this study is to accomplish the weight reduction by optimizing the wall thickness of the tapered tubular structure. The basic methods include the identification of the critical zones and the distribution of the high strength materials according to different necessities. The equivalent strength or stiffness design method and the high strength material properties after SMAT process are combined together. Bending and buckling are two main kinds of static loads concerned in consideration. The study results reveal that there is still enough margin for weight reduction in the traditional wind turbine tower design

  8. Material Protection, Accounting, and Control Technologies (MPACT) Advanced Integration Roadmap

    Energy Technology Data Exchange (ETDEWEB)

    Durkee, Joe W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cipiti, Ben [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Demuth, Scott Francis [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Fallgren, Andrew James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Jarman, Ken [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Li, Shelly [Argonne National Lab. (ANL), Argonne, IL (United States); Meier, Dave [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Miller, Mike [Argonne National Lab. (ANL), Argonne, IL (United States); Osburn, Laura Ann [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pereira, Candido [Argonne National Lab. (ANL), Argonne, IL (United States); Dasari, Venkateswara Rao [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ticknor, Lawrence O. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Yoo, Tae-Sic [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-09-30

    The development of sustainable advanced nuclear fuel cycles is a long-term goal of the Office of Nuclear Energy’s (DOE-NE) Fuel Cycle Technologies program. The Material Protection, Accounting, and Control Technologies (MPACT) campaign is supporting research and development (R&D) of advanced instrumentation, analysis tools, and integration methodologies to meet this goal (Miller, 2015). This advanced R&D is intended to facilitate safeguards and security by design of fuel cycle facilities. The lab-scale demonstration of a virtual facility, distributed test bed, that connects the individual tools being developed at National Laboratories and university research establishments, is a key program milestone for 2020. These tools will consist of instrumentation and devices as well as computer software for modeling, simulation and integration.

  9. Material Protection, Accounting, and Control Technologies (MPACT) Advanced Integration Roadmap

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Mike [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cipiti, Ben [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Demuth, Scott Francis [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Durkee, Jr., Joe W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Fallgren, Andrew James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Jarman, Ken [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Li, Shelly [Idaho National Lab. (INL), Idaho Falls, ID (United States); Meier, Dave [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Osburn, Laura Ann [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pereira, Candido [Argonne National Lab. (ANL), Argonne, IL (United States); Dasari, Venkateswara Rao [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ticknor, Lawrence O. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Yoo, Tae-Sic [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2017-01-30

    The development of sustainable advanced nuclear fuel cycles is a long-term goal of the Office of Nuclear Energy’s (DOE-NE) Fuel Cycle Technologies program. The Material Protection, Accounting, and Control Technologies (MPACT) campaign is supporting research and development (R&D) of advanced instrumentation, analysis tools, and integration methodologies to meet this goal (Miller, 2015). This advanced R&D is intended to facilitate safeguards and security by design of fuel cycle facilities. The lab-scale demonstration of a virtual facility, distributed test bed, that connects the individual tools being developed at National Laboratories and university research establishments, is a key program milestone for 2020. These tools will consist of instrumentation and devices as well as computer software for modeling, simulation and integration.

  10. Integration of process computer systems to Cofrentes NPP

    International Nuclear Information System (INIS)

    Saettone Justo, A.; Pindado Andres, R.; Buedo Jimenez, J.L.; Jimenez Fernandez-Sesma, A.; Delgado Muelas, J.A.

    1997-01-01

    The existence of three different process computer systems in Cofrentes NPP and the ageing of two of them have led to the need for their integration into a single real time computer system, known as Integrated ERIS-Computer System (SIEC), which covers the functionality of the three systems: Process Computer (PC), Emergency Response Information System (ERIS) and Nuclear Calculation Computer (OCN). The paper describes the integration project developed, which has essentially consisted in the integration of PC, ERIS and OCN databases into a single database, the migration of programs from the old process computer into the new SIEC hardware-software platform and the installation of a communications programme to transmit all necessary data for OCN programs from the SIEC computer, which in the new configuration is responsible for managing the databases of the whole system. (Author)

  11. Computer Integration into the Early Childhood Curriculum

    Science.gov (United States)

    Mohammad, Mona; Mohammad, Heyam

    2012-01-01

    Navin and Mark are playing at the computer in their preschool classroom. Like the rest of their classmates, these four-year-old children fearlessly experiment with computer as they navigate through the art program they are using. As they draw and paint on the computer screen, Mark and Navin talk about their creation. "Let's try the stamps" insists…

  12. Integration of bulk piezoelectric materials into microsystems

    Science.gov (United States)

    Aktakka, Ethem Erkan

    Bulk piezoelectric ceramics, compared to deposited piezoelectric thin-films, provide greater electromechanical coupling and charge capacity, which are highly desirable in many MEMS applications. In this thesis, a technology platform is developed for wafer-level integration of bulk piezoelectric substrates on silicon, with a final film thickness of 5-100microm. The characterized processes include reliable low-temperature (200°C) AuIn diffusion bonding and parylene bonding of bulk-PZT on silicon, wafer-level lapping of bulk-PZT with high-uniformity (+/-0.5microm), and low-damage micro-machining of PZT films via dicing-saw patterning, laser ablation, and wet-etching. Preservation of ferroelectric and piezoelectric properties is confirmed with hysteresis and piezo-response measurements. The introduced technology offers higher material quality and unique advantages in fabrication flexibility over existing piezoelectric film deposition methods. In order to confirm the preserved bulk properties in the final film, diaphragm and cantilever beam actuators operating in the transverse-mode are designed, fabricated and tested. The diaphragm structure and electrode shapes/sizes are optimized for maximum deflection through finite-element simulations. During tests of fabricated devices, greater than 12microm PP displacement is obtained by actuation of a 1mm2 diaphragm at 111kHz with integration of a 50-80% efficient power management IC, which incorporates a supply-independent bias circuitry, an active diode for low-dropout rectification, a bias-flip system for higher efficiency, and a trickle battery charger. The overall system does not require a pre-charged battery, and has power consumption of <1microW in active-mode (measured) and <5pA in sleep-mode (simulated). Under lg vibration at 155Hz, a 70mF ultra-capacitor is charged from OV to 1.85V in 50 minutes.

  13. 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.

  14. AGIS: Integration of new technologies used in ATLAS Distributed Computing

    CERN Document Server

    Anisenkov, Alexey; The ATLAS collaboration; Alandes Pradillo, Maria

    2016-01-01

    AGIS is the information system designed to integrate configuration and status information about resources, services and topology of the computing infrastructure used by ATLAS Distributed Computing (ADC) applications and services. In this note, we describe the evolution and the recent developments of AGIS functionalities, related to integration of new technologies recently become widely used in ATLAS Computing like flexible computing utilization of opportunistic Cloud and HPC resources, ObjectStore services integration for Distributed Data Management (Rucio) and ATLAS workload management (PanDA) systems, unified storage protocols declaration required for PandDA Pilot site movers and others.

  15. Computer science in Dutch secondary education: independent or integrated?

    NARCIS (Netherlands)

    van der Sijde, Peter; Doornekamp, B.G.

    1992-01-01

    Nowadays, in Dutch secondary education, computer science is integrated within school subjects. About ten years ago computer science was considered an independent subject, but in the mid-1980s this idea changed. In our study we investigated whether the objectives of teaching computer science as an

  16. Automated computation of one-loop integrals in massless theories

    International Nuclear Information System (INIS)

    Hameren, A. van; Vollinga, J.; Weinzierl, S.

    2005-01-01

    We consider one-loop tensor and scalar integrals, which occur in a massless quantum field theory, and we report on the implementation into a numerical program of an algorithm for the automated computation of these one-loop integrals. The number of external legs of the loop integrals is not restricted. All calculations are done within dimensional regularization. (orig.)

  17. Enhancing Language Material Availability Using Computers.

    Science.gov (United States)

    Miyashita, Mizuki; Moll, Laura A.

    This paper describes the use of computer technology to produce an updated online Tohono O'odham dictionary. Spoken in southern Arizona and northern Mexico, Tohono O'odham (formerly Papago) and its close relative Akimel O'odham (Pima) had a total of about 25,000 speakers in 1988. Although the language is taught to school children through community…

  18. 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...

  19. A high performance scientific cloud computing environment for materials simulations

    OpenAIRE

    Jorissen, Kevin; Vila, Fernando D.; Rehr, John J.

    2011-01-01

    We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several materials science codes, together with essential interface tools (an SCC toolset) that offers functionality comparable to local compute clusters. In particular, our SCC toolset provides automatic creation of virtual clusters for parallel computing, including...

  20. AGIS: Integration of new technologies used in ATLAS Distributed Computing

    OpenAIRE

    Anisenkov, Alexey; Di Girolamo, Alessandro; Alandes Pradillo, Maria

    2017-01-01

    The variety of the ATLAS Distributed Computing infrastructure requires a central information system to define the topology of computing resources and to store different parameters and configuration data which are needed by various ATLAS software components. The ATLAS Grid Information System (AGIS) is the system designed to integrate configuration and status information about resources, services and topology of the computing infrastructure used by ATLAS Distributed Computing applications and s...

  1. Integrated computer network high-speed parallel interface

    International Nuclear Information System (INIS)

    Frank, R.B.

    1979-03-01

    As the number and variety of computers within Los Alamos Scientific Laboratory's Central Computer Facility grows, the need for a standard, high-speed intercomputer interface has become more apparent. This report details the development of a High-Speed Parallel Interface from conceptual through implementation stages to meet current and future needs for large-scle network computing within the Integrated Computer Network. 4 figures

  2. Integration of Cloud resources in the LHCb Distributed Computing

    CERN Document Server

    Ubeda Garcia, Mario; Stagni, Federico; Cabarrou, Baptiste; Rauschmayr, Nathalie; Charpentier, Philippe; Closier, Joel

    2014-01-01

    This contribution describes how Cloud resources have been integrated in the LHCb Distributed Computing. LHCb is using its specific Dirac extension (LHCbDirac) as an interware for its Distributed Computing. So far, it was seamlessly integrating Grid resources and Computer clusters. The cloud extension of DIRAC (VMDIRAC) allows the integration of Cloud computing infrastructures. It is able to interact with multiple types of infrastructures in commercial and institutional clouds, supported by multiple interfaces (Amazon EC2, OpenNebula, OpenStack and CloudStack) – instantiates, monitors and manages Virtual Machines running on this aggregation of Cloud resources. Moreover, specifications for institutional Cloud resources proposed by Worldwide LHC Computing Grid (WLCG), mainly by the High Energy Physics Unix Information Exchange (HEPiX) group, have been taken into account. Several initiatives and computing resource providers in the eScience environment have already deployed IaaS in production during 2013. Keepin...

  3. Materials-by-design: computation, synthesis, and characterization from atoms to structures

    Science.gov (United States)

    Yeo, Jingjie; Jung, Gang Seob; Martín-Martínez, Francisco J.; Ling, Shengjie; Gu, Grace X.; Qin, Zhao; Buehler, Markus J.

    2018-05-01

    In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is ‘plenty of room at the bottom’ for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization. This paper reviews how this paradigm creates the possibility to develop materials according to specific, rational designs from the molecular to the macroscopic scale. We discuss promising techniques in experimental small-scale material synthesis and large-scale fabrication methods to manipulate atomistic or macroscale structures, which can be designed by computational modeling. These include recombinant protein technology to produce peptides and proteins with tailored sequences encoded by recombinant DNA, self-assembly processes induced by conformational transition of proteins, additive manufacturing for designing complex structures, and qualitative and quantitative characterization of materials at different length scales. We describe important material characterization techniques using numerous methods of spectroscopy and microscopy. We detail numerous multi-scale computational modeling techniques that complements these experimental techniques: DFT at the atomistic scale; fully atomistic and coarse-grain molecular dynamics at the molecular to mesoscale; continuum modeling at the macroscale. Additionally, we present case studies that utilize experimental and computational approaches in an integrated manner to broaden our understanding of the properties of two-dimensional materials and materials based on silk and silk-elastin-like proteins.

  4. National electronic medical records integration on cloud computing system.

    Science.gov (United States)

    Mirza, Hebah; El-Masri, Samir

    2013-01-01

    Few Healthcare providers have an advanced level of Electronic Medical Record (EMR) adoption. Others have a low level and most have no EMR at all. Cloud computing technology is a new emerging technology that has been used in other industry and showed a great success. Despite the great features of Cloud computing, they haven't been utilized fairly yet in healthcare industry. This study presents an innovative Healthcare Cloud Computing system for Integrating Electronic Health Record (EHR). The proposed Cloud system applies the Cloud Computing technology on EHR system, to present a comprehensive EHR integrated environment.

  5. Nuclear material data management and integration. A safeguard perspective

    International Nuclear Information System (INIS)

    Wilkey, David D.; Martin, H.R.; O'Leary, Jerry

    1999-01-01

    This paper is a discussion of the use of available data in the performance of nuclear material (NM) safeguards. The discussion considers the various sources of data and system requirements for collecting and managing that data, and is preliminary concerned with domestic safeguards requirements such as those specified by the US Department of Energy. The preferred configuration for integrated data management does not necessarily require a single computer system; however, separate computerized systems with direct inter-system connections is preferred. Use of all relevant data NM accounting, NM control, physical protection, and non-safeguards) is necessary to assure the most effective protection for the NM inventories. Where direct exchange of data is not possible, a systematic program to implement indirect exchange is essential [ru

  6. Fundamentals of power integrity for computer platforms and systems

    CERN Document Server

    DiBene, Joseph T

    2014-01-01

    An all-encompassing text that focuses on the fundamentals of power integrity Power integrity is the study of power distribution from the source to the load and the system level issues that can occur across it. For computer systems, these issues can range from inside the silicon to across the board and may egress into other parts of the platform, including thermal, EMI, and mechanical. With a focus on computer systems and silicon level power delivery, this book sheds light on the fundamentals of power integrity, utilizing the author's extensive background in the power integrity industry and un

  7. Scientific computing vol III - approximation and integration

    CERN Document Server

    Trangenstein, John A

    2017-01-01

    This is the third of three volumes providing a comprehensive presentation of the fundamentals of scientific computing. This volume discusses topics that depend more on calculus than linear algebra, in order to prepare the reader for solving differential equations. This book and its companions show how to determine the quality of computational results, and how to measure the relative efficiency of competing methods. Readers learn how to determine the maximum attainable accuracy of algorithms, and how to select the best method for computing problems. This book also discusses programming in several languages, including C++, Fortran and MATLAB. There are 90 examples, 200 exercises, 36 algorithms, 40 interactive JavaScript programs, 91 references to software programs and 1 case study. Topics are introduced with goals, literature references and links to public software. There are descriptions of the current algorithms in GSLIB and MATLAB. This book could be used for a second course in numerical methods, for either ...

  8. Hardware for computing the integral image

    OpenAIRE

    Fernández-Berni, J.; Rodríguez-Vázquez, Ángel; Río, Rocío del; Carmona-Galán, R.

    2015-01-01

    La presente invención, según se expresa en el enunciado de esta memoria descriptiva, consiste en hardware de señal mixta para cómputo de la imagen integral en el plano focal mediante una agrupación de celdas básicas de sensado-procesamiento cuya interconexión puede ser reconfigurada mediante circuitería periférica que hace posible una implementación muy eficiente de una tarea de procesamiento muy útil en visión artificial como es el cálculo de la imagen integral en escenarios tales como monit...

  9. Paradox of integration-A computational model

    Science.gov (United States)

    Krawczyk, Małgorzata J.; Kułakowski, Krzysztof

    2017-02-01

    The paradoxical aspect of integration of a social group has been highlighted by Blau (1964). During the integration process, the group members simultaneously compete for social status and play the role of the audience. Here we show that when the competition prevails over the desire of approval, a sharp transition breaks all friendly relations. However, as was described by Blau, people with high status are inclined to bother more with acceptance of others; this is achieved by praising others and revealing her/his own weak points. In our model, this action smooths the transition and improves interpersonal relations.

  10. The establishment of computer system for nuclear material accounting

    International Nuclear Information System (INIS)

    Hong, Jong Sook; Lee, Byung Doo; Park, Ho Joon

    1988-01-01

    Computer based nuclear material accountancy system will not only increase the credibility of KOREA-IAEA safeguards agreement and bilateral agreements but also decrease the man-power needed to carry out the inspection activity at state level and at facility level. Computer software for nuclear material accounting for and control has been materialized the application to both item and bulk facilities and software for database at state level has been also established to maintain up -to-date status of nation-wide nuclear material inventory. Computer recordings and reporting have been realized to fulfill the national and international commitments to nuclear material accounting for and control. The exchange of information related to nuclear material accounting for has become possible by PC diskettes. (Author)

  11. Computational Design of Flat-Band Material

    Science.gov (United States)

    Hase, I.; Yanagisawa, T.; Kawashima, K.

    2018-02-01

    Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been found yet despite the 25 years of vigorous researches. We have found that some pyrochlore oxides have quasi-flat band just below the Fermi level by first principles calculation. Moreover, their valence bands are well described by a tight-binding model of pyrochlore lattice with isotropic nearest neighbor hopping integral. This model belongs to a class of Mielke model, whose ground state is known to be ferromagnetic with appropriate carrier doping and on-site repulsive Coulomb interaction. We have also performed a spin-polarized band calculation for the hole-doped system from first principles and found that the ground state is ferromagnetic for some doping region. Interestingly, these compounds do not include magnetic element, such as transition metal and rare-earth elements.

  12. Integration of case study approach, project design and computer ...

    African Journals Online (AJOL)

    Integration of case study approach, project design and computer modeling in managerial accounting education ... Journal of Fundamental and Applied Sciences ... in the Laboratory of Management Accounting and Controlling Systems at the ...

  13. Microwave integrated circuit mask design, using computer aided microfilm techniques

    Energy Technology Data Exchange (ETDEWEB)

    Reymond, J.M.; Batliwala, E.R.; Ajose, S.O.

    1977-01-01

    This paper examines the possibility of using a computer interfaced with a precision film C.R.T. information retrieval system, to produce photomasks suitable for the production of microwave integrated circuits.

  14. Integrating interactive computational modeling in biology curricula.

    Directory of Open Access Journals (Sweden)

    Tomáš Helikar

    2015-03-01

    Full Text Available While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology.

  15. Integrating interactive computational modeling in biology curricula.

    Science.gov (United States)

    Helikar, Tomáš; Cutucache, Christine E; Dahlquist, Lauren M; Herek, Tyler A; Larson, Joshua J; Rogers, Jim A

    2015-03-01

    While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology) class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology.

  16. Distributed and multi-core computation of 2-loop integrals

    International Nuclear Information System (INIS)

    De Doncker, E; Yuasa, F

    2014-01-01

    For an automatic computation of Feynman loop integrals in the physical region we rely on an extrapolation technique where the integrals of the sequence are obtained with iterated/repeated adaptive methods from the QUADPACK 1D quadrature package. The integration rule evaluations in the outer level, corresponding to independent inner integral approximations, are assigned to threads dynamically via the OpenMP runtime in the parallel implementation. Furthermore, multi-level (nested) parallelism enables an efficient utilization of hyperthreading or larger numbers of cores. For a class of loop integrals in the unphysical region, which do not suffer from singularities in the interior of the integration domain, we find that the distributed adaptive integration methods in the multivariate PARINT package are highly efficient and accurate. We apply these techniques without resorting to integral transformations and report on the capabilities of the algorithms and the parallel performance for a test set including various types of two-loop integrals

  17. 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

  18. Computer-integrated electric-arc melting process control system

    OpenAIRE

    Дёмин, Дмитрий Александрович

    2014-01-01

    Developing common principles of completing melting process automation systems with hardware and creating on their basis rational choices of computer- integrated electricarc melting control systems is an actual task since it allows a comprehensive approach to the issue of modernizing melting sites of workshops. This approach allows to form the computer-integrated electric-arc furnace control system as part of a queuing system “electric-arc furnace - foundry conveyor” and consider, when taking ...

  19. FOREWORD: Computational methodologies for designing materials Computational methodologies for designing materials

    Science.gov (United States)

    Rahman, Talat S.

    2009-02-01

    It would be fair to say that in the past few decades, theory and computer modeling have played a major role in elucidating the microscopic factors that dictate the properties of functional novel materials. Together with advances in experimental techniques, theoretical methods are becoming increasingly capable of predicting properties of materials at different length scales, thereby bringing in sight the long-sought goal of designing material properties according to need. Advances in computer technology and their availability at a reasonable cost around the world have made tit all the more urgent to disseminate what is now known about these modern computational techniques. In this special issue on computational methodologies for materials by design we have tried to solicit articles from authors whose works collectively represent the microcosm of developments in the area. This turned out to be a difficult task for a variety of reasons, not the least of which is space limitation in this special issue. Nevertheless, we gathered twenty articles that represent some of the important directions in which theory and modeling are proceeding in the general effort to capture the ability to produce materials by design. The majority of papers presented here focus on technique developments that are expected to uncover further the fundamental processes responsible for material properties, and for their growth modes and morphological evolutions. As for material properties, some of the articles here address the challenges that continue to emerge from attempts at accurate descriptions of magnetic properties, of electronically excited states, and of sparse matter, all of which demand new looks at density functional theory (DFT). I should hasten to add that much of the success in accurate computational modeling of materials emanates from the remarkable predictive power of DFT, without which we would not be able to place the subject on firm theoretical grounds. As we know and will also

  20. Department of Materials Research by Computers - Overview

    International Nuclear Information System (INIS)

    Parlinski, K.

    2000-01-01

    Full text: During 1999 the main activity of the Department has been gradually moved to ab initio calculations. For that we have used the approach of density functional theory with either local density approximation (LDA) or generalized gradient approximation (GGA). This approach allows to find the structure and dynamics of any system which can be represented by a supercell with periodic boundary conditions. Our interests were limited to study of structure and dynamics of crystals. We have used two different packages of software: CASTEP and VASP and the pseudopotentials delivered with these programs. This method is parameter-free, which means that one needs to know only the physical constants, like Planck constant, element masses and electron charge, in order to get a quantitative result. We have concentrated our efforts around four subjects: calculation of phonon dispersion curves for polar crystals with LO/TO splitting, calculations of lattice dynamics of chalcopyrites, calculations of energy barriers in molecular crystals, and calculations of elastic properties and phase transitions in geologically important materials. We have calculated the phonon dispersion curves in ionic cubic MgO crystal. The phonon modes at Γ point are split to LO and TO modes. We have proposed a method to calculate this splitting by an elongated supercell. The results agree very well with the coherent inelastic neutron scattering data. Similar effects have been considered in hexagonal GaN, rhombohedral LiNbO 3 , and tetragonal Sn0 2 . In the two last crystals soft modes, responsible for the phase transitions, were found. Intensive calculations were carried out for tetragonal chalcopyrites structure. Each unit cell contains 16 atoms. By using enlarged supercell of 2 x 2 x 1 size with 64 atoms we could obtain valid phonon dispersion curves for CuInSe 2 , AgGaSe 2 , AgGaTe 2 , which agree with neutron data and Raman scattering results. Studies of the molecular motion in KSCN crystal were

  1. Integrating Network Management for Cloud Computing Services

    Science.gov (United States)

    2015-06-01

    Backend Distributed Datastore High-­‐level   Objec.ve   Network   Policy   Perf.   Metrics   SNAT  IP   Alloca.on   Controller...azure.microsoft.com/. 114 [16] Microsoft Azure ExpressRoute. http://azure.microsoft.com/en-us/ services/expressroute/. [17] Mobility and Networking...Networking Technologies, Services, and Protocols; Performance of Computer and Commu- nication Networks; Mobile and Wireless Communications Systems

  2. An integrated introduction to computer graphics and geometric modeling

    CERN Document Server

    Goldman, Ronald

    2009-01-01

    … this book may be the first book on geometric modelling that also covers computer graphics. In addition, it may be the first book on computer graphics that integrates a thorough introduction to 'freedom' curves and surfaces and to the mathematical foundations for computer graphics. … the book is well suited for an undergraduate course. … The entire book is very well presented and obviously written by a distinguished and creative researcher and educator. It certainly is a textbook I would recommend. …-Computer-Aided Design, 42, 2010… Many books concentrate on computer programming and soon beco

  3. Integrating Cloud-Computing-Specific Model into Aircraft Design

    Science.gov (United States)

    Zhimin, Tian; Qi, Lin; Guangwen, Yang

    Cloud Computing is becoming increasingly relevant, as it will enable companies involved in spreading this technology to open the door to Web 3.0. In the paper, the new categories of services introduced will slowly replace many types of computational resources currently used. In this perspective, grid computing, the basic element for the large scale supply of cloud services, will play a fundamental role in defining how those services will be provided. The paper tries to integrate cloud computing specific model into aircraft design. This work has acquired good results in sharing licenses of large scale and expensive software, such as CFD (Computational Fluid Dynamics), UG, CATIA, and so on.

  4. Computer integration in the curriculum: promises and problems

    NARCIS (Netherlands)

    Plomp, T.; van den Akker, Jan

    1988-01-01

    This discussion of the integration of computers into the curriculum begins by reviewing the results of several surveys conducted in the Netherlands and the United States which provide insight into the problems encountered by schools and teachers when introducing computers in education. Case studies

  5. Computation of Surface Integrals of Curl Vector Fields

    Science.gov (United States)

    Hu, Chenglie

    2007-01-01

    This article presents a way of computing a surface integral when the vector field of the integrand is a curl field. Presented in some advanced calculus textbooks such as [1], the technique, as the author experienced, is simple and applicable. The computation is based on Stokes' theorem in 3-space calculus, and thus provides not only a means to…

  6. Integrating Computational Chemistry into a Course in Classical Thermodynamics

    Science.gov (United States)

    Martini, Sheridan R.; Hartzell, Cynthia J.

    2015-01-01

    Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long…

  7. An algorithm of computing inhomogeneous differential equations for definite integrals

    OpenAIRE

    Nakayama, Hiromasa; Nishiyama, Kenta

    2010-01-01

    We give an algorithm to compute inhomogeneous differential equations for definite integrals with parameters. The algorithm is based on the integration algorithm for $D$-modules by Oaku. Main tool in the algorithm is the Gr\\"obner basis method in the ring of differential operators.

  8. Integrating Computational Thinking into Technology and Engineering Education

    Science.gov (United States)

    Hacker, Michael

    2018-01-01

    Computational Thinking (CT) is being promoted as "a fundamental skill used by everyone in the world by the middle of the 21st Century" (Wing, 2006). CT has been effectively integrated into history, ELA, mathematics, art, and science courses (Settle, et al., 2012). However, there has been no analogous effort to integrate CT into…

  9. Integrating Computational Science Tools into a Thermodynamics Course

    Science.gov (United States)

    Vieira, Camilo; Magana, Alejandra J.; García, R. Edwin; Jana, Aniruddha; Krafcik, Matthew

    2018-01-01

    Computational tools and methods have permeated multiple science and engineering disciplines, because they enable scientists and engineers to process large amounts of data, represent abstract phenomena, and to model and simulate complex concepts. In order to prepare future engineers with the ability to use computational tools in the context of their disciplines, some universities have started to integrate these tools within core courses. This paper evaluates the effect of introducing three computational modules within a thermodynamics course on student disciplinary learning and self-beliefs about computation. The results suggest that using worked examples paired to computer simulations to implement these modules have a positive effect on (1) student disciplinary learning, (2) student perceived ability to do scientific computing, and (3) student perceived ability to do computer programming. These effects were identified regardless of the students' prior experiences with computer programming.

  10. The determinants of materiality disclosure in integrated corporate reporting

    OpenAIRE

    Chiara Mio; Marco Fasan

    2014-01-01

    The aim of this study is to test what drives the way in which companies disclose materiality in their Integrated Reports (IRs). Materiality is one of the main themes (and challenges) in the IR discourse, and it will probably play a central role in the actual success of the International Integrated Reporting Council framework. Companies managing to actually implement the materiality principle, will produce IRs which are concise and able to provide relevant information on the future performance...

  11. An Integrated Computer-Aided Approach for Environmental Studies

    DEFF Research Database (Denmark)

    Gani, Rafiqul; Chen, Fei; Jaksland, Cecilia

    1997-01-01

    A general framework for an integrated computer-aided approach to solve process design, control, and environmental problems simultaneously is presented. Physicochemical properties and their relationships to the molecular structure play an important role in the proposed integrated approach. The sco...... and applicability of the integrated approach is highlighted through examples involving estimation of properties and environmental pollution prevention. The importance of mixture effects on some environmentally important properties is also demonstrated....

  12. Computational Design Tools for Integrated Design

    DEFF Research Database (Denmark)

    Holst, Malene Kirstine; Kirkegaard, Poul Henning

    2010-01-01

    In an architectural conceptual sketching process, where an architect is working with the initial ideas for a design, the process is characterized by three phases: sketching, evaluation and modification. Basically the architect needs to address three areas in the conceptual sketching phase......: aesthetical, functional and technical requirements. The aim of the present paper is to address the problem of a vague or not existing link between digital conceptual design tools used by architects and designers and engineering analysis and simulation tools. Based on an analysis of the architectural design...... process different digital design methods are related to tasks in an integrated design process....

  13. Computational studies of novel thermoelectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Singh, D J; Mazin, I I; Kim, S G; Nordstrom, L

    1997-07-01

    The thermoelectric properties of La-filled skutterdites and {beta}-Zn{sub 4}Sb{sub 3} are discussed from the point of view of their electronic structures. These are calculated from first principles within the local density approximation. The electronic structures are in turn used to determine transport related quantities, {beta}-Zn{sub 4}Sb{sub 3} is found to be metallic with a complex Fermi surface topology, which yields a non-trivial dependence of the Hall concentration on the band filling. Calculations of the variation with band filling are used to extract the carrier concentration from the experimental Hall number. At this band filling, which corresponds to 0.1 electrons per 22 atom unit cell, the authors calculate a Seebeck coefficient and temperature dependence in good agreement with the experimental value. The high Seebeck coefficients in a metallic material are remarkable, and arise because of the strong energy dependence of the Fermiology near the experimental band filling. Virtual crystal calculations for La(Fe,Co){sub 4}Sb{sub 12}. The valence band maximum occurs at the {Gamma} point and is due to a singly degenerate dispersive (Fe,Co)-Sb band, which by itself would not be favorable for TE. However, very flat transition metal derived bands occur in close proximity and become active as the doping level is increased, giving a non-trivial dependence of the properties on carrier concentration and explaining the favorable TE properties.

  14. Numerical computation of molecular integrals via optimized (vectorized) FORTRAN code

    International Nuclear Information System (INIS)

    Scott, T.C.; Grant, I.P.; Saunders, V.R.

    1997-01-01

    The calculation of molecular properties based on quantum mechanics is an area of fundamental research whose horizons have always been determined by the power of state-of-the-art computers. A computational bottleneck is the numerical calculation of the required molecular integrals to sufficient precision. Herein, we present a method for the rapid numerical evaluation of molecular integrals using optimized FORTRAN code generated by Maple. The method is based on the exploitation of common intermediates and the optimization can be adjusted to both serial and vectorized computations. (orig.)

  15. Structure, deformation, and integrity of materials

    NARCIS (Netherlands)

    With, de G.

    2006-01-01

    This first integrated approach to thermomechanics deals equally with the atomic scale, the mesoscale of microstructures and morphology, as well as the macroscopic level of actual components and workpieces for applications. With some 85 examples and 150 problems, it covers the three important

  16. Computer aided probabilistic assessment of containment integrity

    International Nuclear Information System (INIS)

    Tsai, J.C.; Touchton, R.A.

    1984-01-01

    In the probabilistic risk assessment (PRA) of a nuclear power plant, there are three probability-based techniques which are widely used for event sequence frequency quantification (including nodal probability estimation). These three techniques are the event tree analysis, the fault tree analysis and the Bayesian approach for database development. In the barrier analysis for assessing radionuclide release to the environment in a PRA study, these techniques are employed to a greater extent in estimating conditions which could lead to failure of the fuel cladding and the reactor coolant system (RCS) pressure boundary, but to a lesser degree in the containment pressure boundary failure analysis. The main reason is that containment issues are currently still in a state of flux. In this paper, the authors describe briefly the computer programs currently used by the nuclear industry to do event tree analyses, fault tree analyses and the Bayesian update. The authors discuss how these computer aided probabilistic techniques might be adopted for failure analysis of the containment pressure boundary

  17. Integrated Computer Controlled Glow Discharge Tube

    Science.gov (United States)

    Kaiser, Erik; Post-Zwicker, Andrew

    2002-11-01

    An "Interactive Plasma Display" was created for the Princeton Plasma Physics Laboratory to demonstrate the characteristics of plasma to various science education outreach programs. From high school students and teachers, to undergraduate students and visitors to the lab, the plasma device will be a key component in advancing the public's basic knowledge of plasma physics. The device is fully computer controlled using LabVIEW, a touchscreen Graphical User Interface [GUI], and a GPIB interface. Utilizing a feedback loop, the display is fully autonomous in controlling pressure, as well as in monitoring the safety aspects of the apparatus. With a digital convectron gauge continuously monitoring pressure, the computer interface analyzes the input signals, while making changes to a digital flow controller. This function works independently of the GUI, allowing the user to simply input and receive a desired pressure; quickly, easily, and intuitively. The discharge tube is a 36" x 4"id glass cylinder with 3" side port. A 3000 volt, 10mA power supply, is used to breakdown the plasma. A 300 turn solenoid was created to demonstrate the magnetic pinching of a plasma. All primary functions of the device are controlled through the GUI digital controllers. This configuration allows for operators to safely control the pressure (100mTorr-1Torr), magnetic field (0-90Gauss, 7amps, 10volts), and finally, the voltage applied across the electrodes (0-3000v, 10mA).

  18. Integrating the stabilization of nuclear materials

    Energy Technology Data Exchange (ETDEWEB)

    Dalton, H.F. [Department of Energy, Washington, DC (United States)

    1996-05-01

    In response to Recommendation 94-1 of the Defense Nuclear Facilities Safety Board, the Department of Energy committed to stabilizing specific nuclear materials within 3 and 8 years. These efforts are underway. The Department has already repackaged the plutonium at Rocky Flats and metal turnings at Savannah River that had been in contact with plastic. As this effort proceeds, we begin to look at activities beyond stabilization and prepare for the final disposition of these materials. To describe the plutonium materials being stabilize, Figure 1 illustrates the quantities of plutonium in various forms that will be stabilized. Plutonium as metal comprises 8.5 metric tons. Plutonium oxide contains 5.5 metric tons of plutonium. Plutonium residues and solutions, together, contain 7 metric tons of plutonium. Figure 2 shows the quantity of plutonium-bearing material in these four categories. In this depiction, 200 metric tons of plutonium residues and 400 metric tons of solutions containing plutonium constitute most of the material in the stabilization program. So, it is not surprising that much of the work in stabilization is directed toward the residues and solutions, even though they contain less of the plutonium.

  19. The first stage of BFS integrated system for nuclear materials control and accounting. Final report

    International Nuclear Information System (INIS)

    1996-09-01

    The BFS computerized accounting system is a network-based one. It runs in a client/server mode. The equipment used in the system includes a computer network consisting of: One server computer system, including peripheral hardware and three client computer systems. The server is located near the control room of the BFS-2 facility outside of the 'stone sack' to ensure access during operation of the critical assemblies. Two of the client computer systems are located near the assembly tables of the BFS-1 and BFS-2 facilities while the third one being the Fissile Material Storage. This final report details the following topics: Computerized nuclear material accounting methods; The portal monitoring system; Test and evaluation of item control technology; Test and evaluation of radiation based nuclear material measurement equipment; and The integrated demonstration of nuclear material control and accounting methods

  20. Evaluation and recommendations for work group integration within the Materials and Processes Lab

    Science.gov (United States)

    Farrington, Phillip A.

    1992-01-01

    The goal of this study was to evaluate and make recommendations for improving the level of integration of several work groups within the Materials and Processes Lab at the Marshall Space Flight Center. This evaluation has uncovered a variety of projects that could improve the efficiency and operation of the work groups as well as the overall integration of the system. In addition, this study provides the foundation for specification of a computer integrated manufacturing test bed environment in the Materials and Processes Lab.

  1. AGIS: Integration of new technologies used in ATLAS Distributed Computing

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00291854; The ATLAS collaboration; Di Girolamo, Alessandro; Alandes Pradillo, Maria

    2017-01-01

    The variety of the ATLAS Distributed Computing infrastructure requires a central information system to define the topology of computing resources and to store different parameters and configuration data which are needed by various ATLAS software components. The ATLAS Grid Information System (AGIS) is the system designed to integrate configuration and status information about resources, services and topology of the computing infrastructure used by ATLAS Distributed Computing applications and services. Being an intermediate middleware system between clients and external information sources (like central BDII, GOCDB, MyOSG), AGIS defines the relations between experiment specific used resources and physical distributed computing capabilities. Being in production during LHC Runl AGIS became the central information system for Distributed Computing in ATLAS and it is continuously evolving to fulfil new user requests, enable enhanced operations and follow the extension of the ATLAS Computing model. The ATLAS Computin...

  2. Dielectric material options for integrated capacitors

    NARCIS (Netherlands)

    Ruhl, G.; Lehnert, W.; Lukosius, M.; Wenger, C.; Baristiran Kaynak, C.; Blomberg, T.; Haukka, S.; Baumann, P.K.; Besling, W.F.A.; Roest, A.L.; Riou, B.; Lhostis, S.; Halimaou, A.; Roozeboom, F.; Langereis, E.; Kessels, W.M.M.; Zauner, A.; Rushworth, S.A.

    2014-01-01

    Future MIM capacitor generations will require significantly increased specific capacitances by utilization of high-k dielectric materials. In order to achieve high capacitance per chip area, these dielectrics have to be deposited in three-dimensional capacitor structures by ALD or AVD (atomic vapor

  3. Terahertz Computed Tomography of NASA Thermal Protection System Materials

    Science.gov (United States)

    Roth, D. J.; Reyes-Rodriguez, S.; Zimdars, D. A.; Rauser, R. W.; Ussery, W. W.

    2011-01-01

    A terahertz axial computed tomography system has been developed that uses time domain measurements in order to form cross-sectional image slices and three-dimensional volume renderings of terahertz-transparent materials. The system can inspect samples as large as 0.0283 cubic meters (1 cubic foot) with no safety concerns as for x-ray computed tomography. In this study, the system is evaluated for its ability to detect and characterize flat bottom holes, drilled holes, and embedded voids in foam materials utilized as thermal protection on the external fuel tanks for the Space Shuttle. X-ray micro-computed tomography was also performed on the samples to compare against the terahertz computed tomography results and better define embedded voids. Limits of detectability based on depth and size for the samples used in this study are loosely defined. Image sharpness and morphology characterization ability for terahertz computed tomography are qualitatively described.

  4. AGIS: Integration of new technologies used in ATLAS Distributed Computing

    Science.gov (United States)

    Anisenkov, Alexey; Di Girolamo, Alessandro; Alandes Pradillo, Maria

    2017-10-01

    The variety of the ATLAS Distributed Computing infrastructure requires a central information system to define the topology of computing resources and to store different parameters and configuration data which are needed by various ATLAS software components. The ATLAS Grid Information System (AGIS) is the system designed to integrate configuration and status information about resources, services and topology of the computing infrastructure used by ATLAS Distributed Computing applications and services. Being an intermediate middleware system between clients and external information sources (like central BDII, GOCDB, MyOSG), AGIS defines the relations between experiment specific used resources and physical distributed computing capabilities. Being in production during LHC Runl AGIS became the central information system for Distributed Computing in ATLAS and it is continuously evolving to fulfil new user requests, enable enhanced operations and follow the extension of the ATLAS Computing model. The ATLAS Computing model and data structures used by Distributed Computing applications and services are continuously evolving and trend to fit newer requirements from ADC community. In this note, we describe the evolution and the recent developments of AGIS functionalities, related to integration of new technologies recently become widely used in ATLAS Computing, like flexible computing utilization of opportunistic Cloud and HPC resources, ObjectStore services integration for Distributed Data Management (Rucio) and ATLAS workload management (PanDA) systems, unified storage protocols declaration required for PandDA Pilot site movers and others. The improvements of information model and general updates are also shown, in particular we explain how other collaborations outside ATLAS could benefit the system as a computing resources information catalogue. AGIS is evolving towards a common information system, not coupled to a specific experiment.

  5. Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

    Energy Technology Data Exchange (ETDEWEB)

    Crabtree, George [Argonne National Lab. (ANL), Argonne, IL (United States); Glotzer, Sharon [University of Michigan; McCurdy, Bill [University of California Davis; Roberto, Jim [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2010-07-26

    abating, has enabled the development of computer simulations and models of unprecedented fidelity. We are at the threshold of a new era where the integrated synthesis, characterization, and modeling of complex materials and chemical processes will transform our ability to understand and design new materials and chemistries with predictive power. In turn, this predictive capability will transform technological innovation by accelerating the development and deployment of new materials and processes in products and manufacturing. Harnessing the potential of computational science and engineering for the discovery and development of materials and chemical processes is essential to maintaining leadership in these foundational fields that underpin energy technologies and industrial competitiveness. Capitalizing on the opportunities presented by simulation-based engineering and science in materials and chemistry will require an integration of experimental capabilities with theoretical and computational modeling; the development of a robust and sustainable infrastructure to support the development and deployment of advanced computational models; and the assembly of a community of scientists and engineers to implement this integration and infrastructure. This community must extend to industry, where incorporating predictive materials science and chemistry into design tools can accelerate the product development cycle and drive economic competitiveness. The confluence of new theories, new materials synthesis capabilities, and new computer platforms has created an unprecedented opportunity to implement a "materials-by-design" paradigm with wide-ranging benefits in technological innovation and scientific discovery. The Workshop on Computational Materials Science and Chemistry for Innovation was convened in Bethesda, Maryland, on July 26-27, 2010. Sponsored by the Department of Energy (DOE) Offices of Advanced Scientific Computing Research and Basic Energy Sciences, the workshop

  6. Advanced structural integrity assessment procedures. Working material

    International Nuclear Information System (INIS)

    1994-01-01

    The purpose of the meeting was to provide an international forum for discussion on recent results in research and utility practice in the field of methodology for the structural integrity assessment of components including relevant non-codified procedures. The scope of the meeting included deterministic and probabilistic approaches. The papers covered the following topics: Leak-before-break concepts; non-destructive examination (NDE) and surveillance results; statistical evaluation of non-destructive examination data; pressurized thermal shock evaluation; fatigue effects (including vibration); and verification qualification. The meeting was attended by 32 specialists from 8 countries. Refs, figs and tabs

  7. Integral management of hazardous materials transport

    International Nuclear Information System (INIS)

    Moran, M.

    2002-01-01

    As a result of outsourcing transport operations and complementary services on the part of the producers and shippers, there is a growing demand for global services that integrate the whole external logistics value chain, the latter being understood to signify the process that includes the storage, transport (monomodal or bi-multi-modal) and delivery to destination. This circumstance has obliged transport firms to undertake a process of internal transformation: from offering an activity purely of transport to becoming logistics operators. Express Truck, S. a. (hereinafter ETSA) could not ignore this market requirement. We will explain the evolutionary process of ETSA in this sense. (Author)

  8. CIPSS [computer-integrated process and safeguards system]: The integration of computer-integrated manufacturing and robotics with safeguards, security, and process operations

    International Nuclear Information System (INIS)

    Leonard, R.S.; Evans, J.C.

    1987-01-01

    This poster session describes the computer-integrated process and safeguards system (CIPSS). The CIPSS combines systems developed for factory automation and automated mechanical functions (robots) with varying degrees of intelligence (expert systems) to create an integrated system that would satisfy current and emerging security and safeguards requirements. Specifically, CIPSS is an extension of the automated physical security functions concepts. The CIPSS also incorporates the concepts of computer-integrated manufacturing (CIM) with integrated safeguards concepts, and draws upon the Defense Advance Research Project Agency's (DARPA's) strategic computing program

  9. Towards an integrated materials characterization toolbox

    DEFF Research Database (Denmark)

    Robertson, Ian M.; Schuh, Christopher A.; Vetrano, John S.

    2011-01-01

    to reaction dynamics in four-dimensions, spanning multiple orders of magnitude in both temporal and spatial space. This study presents the authors' viewpoint on the material characterization field, reviewing its recent past, evaluating its present capabilities, and proposing directions for its future...... and, therefore, are not included [D.A. Bonnell et al.: Rev. Modern Phys. in Review]. In this study particular attention is paid to studies that have pioneered the synergetic use of multiple techniques to provide complementary views of a single structure or process; several of these studies represent...

  10. Heterogeneous Monolithic Integration of Single-Crystal Organic Materials.

    Science.gov (United States)

    Park, Kyung Sun; Baek, Jangmi; Park, Yoonkyung; Lee, Lynn; Hyon, Jinho; Koo Lee, Yong-Eun; Shrestha, Nabeen K; Kang, Youngjong; Sung, Myung Mo

    2017-02-01

    Manufacturing high-performance organic electronic circuits requires the effective heterogeneous integration of different nanoscale organic materials with uniform morphology and high crystallinity in a desired arrangement. In particular, the development of high-performance organic electronic and optoelectronic devices relies on high-quality single crystals that show optimal intrinsic charge-transport properties and electrical performance. Moreover, the heterogeneous integration of organic materials on a single substrate in a monolithic way is highly demanded for the production of fundamental organic electronic components as well as complex integrated circuits. Many of the various methods that have been designed to pattern multiple heterogeneous organic materials on a substrate and the heterogeneous integration of organic single crystals with their crystal growth are described here. Critical issues that have been encountered in the development of high-performance organic integrated electronics are also addressed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Integration mockup and process material management system

    Science.gov (United States)

    Verble, Adas James, Jr.

    1992-01-01

    Work to define and develop a full scale Space Station Freedom (SSF) mockup with the flexibility to evolve into future designs, to validate techniques for maintenance and logistics and verify human task allocations and support trade studies is described. This work began in early 1985 and ended in August, 1991. The mockups are presently being used at MSFC in Building 4755 as a technology and design testbed, as well as for public display. Micro Craft also began work on the Process Material Management System (PMMS) under this contract. The PMMS simulator was a sealed enclosure for testing to identify liquids, gaseous, particulate samples, and specimen including, urine, waste water, condensate, hazardous gases, surrogate gasses, liquids, and solids. The SSF would require many trade studies to validate techniques for maintenance and logistics and verify system task allocations; it was necessary to develop a full scale mockup which would be representative of current SSF design with the ease of changing those designs as the SSF design evolved and changed. The tasks defined for Micro Craft were to provide the personnel, services, tools, and materials for the SSF mockup which would consist of four modules, nodes, interior components, and part task mockups of MSFC responsible engineering systems. This included the Engineering Control and Life Support Systems (ECLSS) testbed. For the initial study, the mockups were low fidelity, soft mockups of graphics art bottle, and other low cost materials, which evolved into higher fidelity mockups as the R&D design evolved, by modifying or rebuilding, an important cost saving factor in the design process. We designed, fabricated, and maintained the full size mockup shells and support stands. The shells consisted of cylinders, end cones, rings, longerons, docking ports, crew airlocks, and windows. The ECLSS required a heavier cylinder to support the ECLSS systems test program. Details of this activity will be covered. Support stands were

  12. Computer-aided engineering of semiconductor integrated circuits

    Science.gov (United States)

    Meindl, J. D.; Dutton, R. W.; Gibbons, J. F.; Helms, C. R.; Plummer, J. D.; Tiller, W. A.; Ho, C. P.; Saraswat, K. C.; Deal, B. E.; Kamins, T. I.

    1980-07-01

    Economical procurement of small quantities of high performance custom integrated circuits for military systems is impeded by inadequate process, device and circuit models that handicap low cost computer aided design. The principal objective of this program is to formulate physical models of fabrication processes, devices and circuits to allow total computer-aided design of custom large-scale integrated circuits. The basic areas under investigation are (1) thermal oxidation, (2) ion implantation and diffusion, (3) chemical vapor deposition of silicon and refractory metal silicides, (4) device simulation and analytic measurements. This report discusses the fourth year of the program.

  13. Complexity estimates based on integral transforms induced by computational units

    Czech Academy of Sciences Publication Activity Database

    Kůrková, Věra

    2012-01-01

    Roč. 33, September (2012), s. 160-167 ISSN 0893-6080 R&D Projects: GA ČR GAP202/11/1368 Institutional research plan: CEZ:AV0Z10300504 Institutional support: RVO:67985807 Keywords : neural networks * estimates of model complexity * approximation from a dictionary * integral transforms * norms induced by computational units Subject RIV: IN - Informatics, Computer Science Impact factor: 1.927, year: 2012

  14. Competitiveness in organizational integrated computer system project management

    Directory of Open Access Journals (Sweden)

    Zenovic GHERASIM

    2010-06-01

    Full Text Available The organizational integrated computer system project management aims at achieving competitiveness by unitary, connected and personalised treatment of the requirements for this type of projects, along with the adequate application of all the basic management, administration and project planning principles, as well as of the basic concepts of the organisational information management development. The paper presents some aspects of organizational computer systems project management competitiveness with the specific reference to some Romanian companies’ projects.

  15. Improved materials management through client/server computing

    International Nuclear Information System (INIS)

    Brooks, D.; Neilsen, E.; Reagan, R.; Simmons, D.

    1992-01-01

    This paper reports that materials management and procurement impacts every organization within an electric utility from power generation to customer service. An efficient material management and procurement system can help improve productivity and minimize operating costs. It is no longer sufficient to simply automate materials management using inventory control systems. Smart companies are building centralized data warehouses and use the client/server style of computing to provide real time data access. This paper describes how Alabama Power Company, Southern Company Services and Digital Equipment Corporation transformed two existing applications, a purchase order application within DEC's ALL-IN-1 environment and a materials management application within an IBM CICS environment, into a data warehouse - client/server application. An application server is used to overcome incompatibilities between computing environments and provide easy, real-time access to information residing in multi-vendor environments

  16. Continuum mechanical and computational aspects of material behavior

    Energy Technology Data Exchange (ETDEWEB)

    Fried, Eliot; Gurtin, Morton E.

    2000-02-10

    The focus of the work is the application of continuum mechanics to materials science, specifically to the macroscopic characterization of material behavior at small length scales. The long-term goals are a continuum-mechanical framework for the study of materials that provides a basis for general theories and leads to boundary-value problems of physical relevance, and computational methods appropriate to these problems supplemented by physically meaningful regularizations to aid in their solution. Specific studies include the following: the development of a theory of polycrystalline plasticity that incorporates free energy associated with lattice mismatch between grains; the development of a theory of geometrically necessary dislocations within the context of finite-strain plasticity; the development of a gradient theory for single-crystal plasticity with geometrically necessary dislocations; simulations of dynamical fracture using a theory that allows for the kinking and branching of cracks; computation of segregation and compaction in flowing granular materials.

  17. Soft computing in design and manufacturing of advanced materials

    Science.gov (United States)

    Cios, Krzysztof J.; Baaklini, George Y; Vary, Alex

    1993-01-01

    The potential of fuzzy sets and neural networks, often referred to as soft computing, for aiding in all aspects of manufacturing of advanced materials like ceramics is addressed. In design and manufacturing of advanced materials, it is desirable to find which of the many processing variables contribute most to the desired properties of the material. There is also interest in real time quality control of parameters that govern material properties during processing stages. The concepts of fuzzy sets and neural networks are briefly introduced and it is shown how they can be used in the design and manufacturing processes. These two computational methods are alternatives to other methods such as the Taguchi method. The two methods are demonstrated by using data collected at NASA Lewis Research Center. Future research directions are also discussed.

  18. Integration of cloud resources in the LHCb distributed computing

    International Nuclear Information System (INIS)

    García, Mario Úbeda; Stagni, Federico; Cabarrou, Baptiste; Rauschmayr, Nathalie; Charpentier, Philippe; Closier, Joel; Muñoz, Víctor Méndez

    2014-01-01

    This contribution describes how Cloud resources have been integrated in the LHCb Distributed Computing. LHCb is using its specific Dirac extension (LHCbDirac) as an interware for its Distributed Computing. So far, it was seamlessly integrating Grid resources and Computer clusters. The cloud extension of DIRAC (VMDIRAC) allows the integration of Cloud computing infrastructures. It is able to interact with multiple types of infrastructures in commercial and institutional clouds, supported by multiple interfaces (Amazon EC2, OpenNebula, OpenStack and CloudStack) – instantiates, monitors and manages Virtual Machines running on this aggregation of Cloud resources. Moreover, specifications for institutional Cloud resources proposed by Worldwide LHC Computing Grid (WLCG), mainly by the High Energy Physics Unix Information Exchange (HEPiX) group, have been taken into account. Several initiatives and computing resource providers in the eScience environment have already deployed IaaS in production during 2013. Keeping this on mind, pros and cons of a cloud based infrasctructure have been studied in contrast with the current setup. As a result, this work addresses four different use cases which represent a major improvement on several levels of our infrastructure. We describe the solution implemented by LHCb for the contextualisation of the VMs based on the idea of Cloud Site. We report on operational experience of using in production several institutional Cloud resources that are thus becoming integral part of the LHCb Distributed Computing resources. Furthermore, we describe as well the gradual migration of our Service Infrastructure towards a fully distributed architecture following the Service as a Service (SaaS) model.

  19. Integration of Cloud resources in the LHCb Distributed Computing

    Science.gov (United States)

    Úbeda García, Mario; Méndez Muñoz, Víctor; Stagni, Federico; Cabarrou, Baptiste; Rauschmayr, Nathalie; Charpentier, Philippe; Closier, Joel

    2014-06-01

    This contribution describes how Cloud resources have been integrated in the LHCb Distributed Computing. LHCb is using its specific Dirac extension (LHCbDirac) as an interware for its Distributed Computing. So far, it was seamlessly integrating Grid resources and Computer clusters. The cloud extension of DIRAC (VMDIRAC) allows the integration of Cloud computing infrastructures. It is able to interact with multiple types of infrastructures in commercial and institutional clouds, supported by multiple interfaces (Amazon EC2, OpenNebula, OpenStack and CloudStack) - instantiates, monitors and manages Virtual Machines running on this aggregation of Cloud resources. Moreover, specifications for institutional Cloud resources proposed by Worldwide LHC Computing Grid (WLCG), mainly by the High Energy Physics Unix Information Exchange (HEPiX) group, have been taken into account. Several initiatives and computing resource providers in the eScience environment have already deployed IaaS in production during 2013. Keeping this on mind, pros and cons of a cloud based infrasctructure have been studied in contrast with the current setup. As a result, this work addresses four different use cases which represent a major improvement on several levels of our infrastructure. We describe the solution implemented by LHCb for the contextualisation of the VMs based on the idea of Cloud Site. We report on operational experience of using in production several institutional Cloud resources that are thus becoming integral part of the LHCb Distributed Computing resources. Furthermore, we describe as well the gradual migration of our Service Infrastructure towards a fully distributed architecture following the Service as a Service (SaaS) model.

  20. Status of integration of small computers into NDE systems

    International Nuclear Information System (INIS)

    Dau, G.J.; Behravesh, M.M.

    1988-01-01

    Introduction of computers in nondestructive evaluations (NDE) has enabled data acquisition devices to provide a more thorough and complete coverage in the scanning process, and has aided human inspectors in their data analysis and decision making efforts. The price and size/weight of small computers, coupled with recent increases in processing and storage capacity, have made small personal computers (PC's) the most viable platform for NDE equipment. Several NDE systems using minicomputers and newer PC-based systems, capable of automatic data acquisition, and knowledge-based analysis of the test data, have been field tested in the nuclear power plant environment and are currently available through commercial sources. While computers have been in common use for several NDE methods during the last few years, their greatest impact, however, has been on ultrasonic testing. This paper discusses the evolution of small computers and their integration into the ultrasonic testing process

  1. Soft computing integrating evolutionary, neural, and fuzzy systems

    CERN Document Server

    Tettamanzi, Andrea

    2001-01-01

    Soft computing encompasses various computational methodologies, which, unlike conventional algorithms, are tolerant of imprecision, uncertainty, and partial truth. Soft computing technologies offer adaptability as a characteristic feature and thus permit the tracking of a problem through a changing environment. Besides some recent developments in areas like rough sets and probabilistic networks, fuzzy logic, evolutionary algorithms, and artificial neural networks are core ingredients of soft computing, which are all bio-inspired and can easily be combined synergetically. This book presents a well-balanced integration of fuzzy logic, evolutionary computing, and neural information processing. The three constituents are introduced to the reader systematically and brought together in differentiated combinations step by step. The text was developed from courses given by the authors and offers numerous illustrations as

  2. New ways of integrating material knowledge into the design process

    DEFF Research Database (Denmark)

    Højris, Anders; Nielsen, Louise Møller

    2013-01-01

    – based on technical performance, no longer apply. Accordingly the approach in this paper is to view information and knowledge about materials through the perspective of organizational memory and technology brokering. This paper is build upon two cases from the German based design studio: designaffairs...... libraries and thereby access to information on new material possibilities has also changed the way designers integrate knowledge about materials into the design process. This means that the traditional design process model, where the selection of materials takes place after the design of form and function...... in order to help clients to find the right material among hundreds of samples. Furthermore a number of material libraries have also been developed into online database, which provides detailed information about new material and makes the information accessible from almost everywhere. The access to material...

  3. Computer integrated manufacturing in the chemical industry : Theory & practice

    NARCIS (Netherlands)

    Ashayeri, J.; Teelen, A.; Selen, W.J.

    1995-01-01

    This paper addresses the possibilities of implementing Computer Integrated Manufacturing in the process industry, and the chemical industry in particular. After presenting some distinct differences of the process industry in relation to discrete manufacturing, a number of focal points are discussed.

  4. An integrated compact airborne multispectral imaging system using embedded computer

    Science.gov (United States)

    Zhang, Yuedong; Wang, Li; Zhang, Xuguo

    2015-08-01

    An integrated compact airborne multispectral imaging system using embedded computer based control system was developed for small aircraft multispectral imaging application. The multispectral imaging system integrates CMOS camera, filter wheel with eight filters, two-axis stabilized platform, miniature POS (position and orientation system) and embedded computer. The embedded computer has excellent universality and expansibility, and has advantages in volume and weight for airborne platform, so it can meet the requirements of control system of the integrated airborne multispectral imaging system. The embedded computer controls the camera parameters setting, filter wheel and stabilized platform working, image and POS data acquisition, and stores the image and data. The airborne multispectral imaging system can connect peripheral device use the ports of the embedded computer, so the system operation and the stored image data management are easy. This airborne multispectral imaging system has advantages of small volume, multi-function, and good expansibility. The imaging experiment results show that this system has potential for multispectral remote sensing in applications such as resource investigation and environmental monitoring.

  5. Computed temperature profile in materials exposed to gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Ping, Tso Chin; Choong, Yap Siew; Seon, Chan Kam

    1987-06-01

    Computed temperature profiles are presented for the materials of lead, steel, concrete and water in curved shells, when they are exposed to gamma radiation. The results are based on the usual simplified theory of thermal conduction with an exponential heat source.

  6. Transient computational homogenization for heterogeneous materials under dynamic excitation

    NARCIS (Netherlands)

    Pham, N.K.H.; Kouznetsova, V.; Geers, M.G.D.

    2013-01-01

    This paper presents a novel transient computational homogenization procedure that is suitable for the modelling of the evolution in space and in time of materials with non-steady state microstructure, such as metamaterials. This transient scheme is an extension of the classical (first-order)

  7. Operational facility-integrated computer system for safeguards

    International Nuclear Information System (INIS)

    Armento, W.J.; Brooksbank, R.E.; Krichinsky, A.M.

    1980-01-01

    A computer system for safeguards in an active, remotely operated, nuclear fuel processing pilot plant has been developed. This sytem maintains (1) comprehensive records of special nuclear materials, (2) automatically updated book inventory files, (3) material transfer catalogs, (4) timely inventory estimations, (5) sample transactions, (6) automatic, on-line volume balances and alarmings, and (7) terminal access and applications software monitoring and logging. Future development will include near-real-time SNM mass balancing as both a static, in-tank summation and a dynamic, in-line determination. It is planned to incorporate aspects of site security and physical protection into the computer monitoring

  8. Integrating computational methods to retrofit enzymes to synthetic pathways.

    Science.gov (United States)

    Brunk, Elizabeth; Neri, Marilisa; Tavernelli, Ivano; Hatzimanikatis, Vassily; Rothlisberger, Ursula

    2012-02-01

    Microbial production of desired compounds provides an efficient framework for the development of renewable energy resources. To be competitive to traditional chemistry, one requirement is to utilize the full capacity of the microorganism to produce target compounds with high yields and turnover rates. We use integrated computational methods to generate and quantify the performance of novel biosynthetic routes that contain highly optimized catalysts. Engineering a novel reaction pathway entails addressing feasibility on multiple levels, which involves handling the complexity of large-scale biochemical networks while respecting the critical chemical phenomena at the atomistic scale. To pursue this multi-layer challenge, our strategy merges knowledge-based metabolic engineering methods with computational chemistry methods. By bridging multiple disciplines, we provide an integral computational framework that could accelerate the discovery and implementation of novel biosynthetic production routes. Using this approach, we have identified and optimized a novel biosynthetic route for the production of 3HP from pyruvate. Copyright © 2011 Wiley Periodicals, Inc.

  9. BEAM: A computational workflow system for managing and modeling material characterization data in HPC environments

    Energy Technology Data Exchange (ETDEWEB)

    Lingerfelt, Eric J [ORNL; Endeve, Eirik [ORNL; Ovchinnikov, Oleg S [ORNL; Borreguero Calvo, Jose M [ORNL; Park, Byung H [ORNL; Archibald, Richard K [ORNL; Symons, Christopher T [ORNL; Kalinin, Sergei V [ORNL; Messer, Bronson [ORNL; Shankar, Mallikarjun [ORNL; Jesse, Stephen [ORNL

    2016-01-01

    Improvements in scientific instrumentation allow imaging at mesoscopic to atomic length scales, many spectroscopic modes, and now with the rise of multimodal acquisition systems and the associated processing capability the era of multidimensional, informationally dense data sets has arrived. Technical issues in these combinatorial scientific fields are exacerbated by computational challenges best summarized as a necessity for drastic improvement in the capability to transfer, store, and analyze large volumes of data. The Bellerophon Environment for Analysis of Materials (BEAM) platform provides material scientists the capability to directly leverage the integrated computational and analytical power of High Performance Computing (HPC) to perform scalable data analysis and simulation via an intuitive, cross-platform client user interface. This framework delivers authenticated, push-button execution of complex user workflows that deploy data analysis algorithms and computational simulations utilizing the converged compute-and-data infrastructure at Oak Ridge National Laboratory s (ORNL) Compute and Data Environment for Science (CADES) and HPC environments like Titan at the Oak Ridge Leadership Computing Facility (OLCF). In this work we address the underlying HPC needs for characterization in the material science community, elaborate how BEAM s design and infrastructure tackle those needs, and present a small sub-set of user cases where scientists utilized BEAM across a broad range of analytical techniques and analysis modes.

  10. Integrating Xgrid into the HENP distributed computing model

    International Nuclear Information System (INIS)

    Hajdu, L; Lauret, J; Kocoloski, A; Miller, M

    2008-01-01

    Modern Macintosh computers feature Xgrid, a distributed computing architecture built directly into Apple's OS X operating system. While the approach is radically different from those generally expected by the Unix based Grid infrastructures (Open Science Grid, TeraGrid, EGEE), opportunistic computing on Xgrid is nonetheless a tempting and novel way to assemble a computing cluster with a minimum of additional configuration. In fact, it requires only the default operating system and authentication to a central controller from each node. OS X also implements arbitrarily extensible metadata, allowing an instantly updated file catalog to be stored as part of the filesystem itself. The low barrier to entry allows an Xgrid cluster to grow quickly and organically. This paper and presentation will detail the steps that can be taken to make such a cluster a viable resource for HENP research computing. We will further show how to provide to users a unified job submission framework by integrating Xgrid through the STAR Unified Meta-Scheduler (SUMS), making tasks and jobs submission effortlessly at reach for those users already using the tool for traditional Grid or local cluster job submission. We will discuss additional steps that can be taken to make an Xgrid cluster a full partner in grid computing initiatives, focusing on Open Science Grid integration. MIT's Xgrid system currently supports the work of multiple research groups in the Laboratory for Nuclear Science, and has become an important tool for generating simulations and conducting data analyses at the Massachusetts Institute of Technology

  11. Integrating Xgrid into the HENP distributed computing model

    Science.gov (United States)

    Hajdu, L.; Kocoloski, A.; Lauret, J.; Miller, M.

    2008-07-01

    Modern Macintosh computers feature Xgrid, a distributed computing architecture built directly into Apple's OS X operating system. While the approach is radically different from those generally expected by the Unix based Grid infrastructures (Open Science Grid, TeraGrid, EGEE), opportunistic computing on Xgrid is nonetheless a tempting and novel way to assemble a computing cluster with a minimum of additional configuration. In fact, it requires only the default operating system and authentication to a central controller from each node. OS X also implements arbitrarily extensible metadata, allowing an instantly updated file catalog to be stored as part of the filesystem itself. The low barrier to entry allows an Xgrid cluster to grow quickly and organically. This paper and presentation will detail the steps that can be taken to make such a cluster a viable resource for HENP research computing. We will further show how to provide to users a unified job submission framework by integrating Xgrid through the STAR Unified Meta-Scheduler (SUMS), making tasks and jobs submission effortlessly at reach for those users already using the tool for traditional Grid or local cluster job submission. We will discuss additional steps that can be taken to make an Xgrid cluster a full partner in grid computing initiatives, focusing on Open Science Grid integration. MIT's Xgrid system currently supports the work of multiple research groups in the Laboratory for Nuclear Science, and has become an important tool for generating simulations and conducting data analyses at the Massachusetts Institute of Technology.

  12. Continuous Materiality: Through a Hierarchy of Computational Codes

    Directory of Open Access Journals (Sweden)

    Jichen Zhu

    2008-01-01

    Full Text Available The legacy of Cartesian dualism inherent in linguistic theory deeply influences current views on the relation between natural language, computer code, and the physical world. However, the oversimplified distinction between mind and body falls short of capturing the complex interaction between the material and the immaterial. In this paper, we posit a hierarchy of codes to delineate a wide spectrum of continuous materiality. Our research suggests that diagrams in architecture provide a valuable analog for approaching computer code in emergent digital systems. After commenting on ways that Cartesian dualism continues to haunt discussions of code, we turn our attention to diagrams and design morphology. Finally we notice the implications a material understanding of code bears for further research on the relation between human cognition and digital code. Our discussion concludes by noticing several areas that we have projected for ongoing research.

  13. 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

  14. The Impact and Promise of Open-Source Computational Material for Physics Teaching

    Science.gov (United States)

    Christian, Wolfgang

    2017-01-01

    A computer-based modeling approach to teaching must be flexible because students and teachers have different skills and varying levels of preparation. Learning how to run the ``software du jour'' is not the objective for integrating computational physics material into the curriculum. Learning computational thinking, how to use computation and computer-based visualization to communicate ideas, how to design and build models, and how to use ready-to-run models to foster critical thinking is the objective. Our computational modeling approach to teaching is a research-proven pedagogy that predates computers. It attempts to enhance student achievement through the Modeling Cycle. This approach was pioneered by Robert Karplus and the SCIS Project in the 1960s and 70s and later extended by the Modeling Instruction Program led by Jane Jackson and David Hestenes at Arizona State University. This talk describes a no-cost open-source computational approach aligned with a Modeling Cycle pedagogy. Our tools, curricular material, and ready-to-run examples are freely available from the Open Source Physics Collection hosted on the AAPT-ComPADRE digital library. Examples will be presented.

  15. Integrated evolutionary computation neural network quality controller for automated systems

    Energy Technology Data Exchange (ETDEWEB)

    Patro, S.; Kolarik, W.J. [Texas Tech Univ., Lubbock, TX (United States). Dept. of Industrial Engineering

    1999-06-01

    With increasing competition in the global market, more and more stringent quality standards and specifications are being demands at lower costs. Manufacturing applications of computing power are becoming more common. The application of neural networks to identification and control of dynamic processes has been discussed. The limitations of using neural networks for control purposes has been pointed out and a different technique, evolutionary computation, has been discussed. The results of identifying and controlling an unstable, dynamic process using evolutionary computation methods has been presented. A framework for an integrated system, using both neural networks and evolutionary computation, has been proposed to identify the process and then control the product quality, in a dynamic, multivariable system, in real-time.

  16. Computer graphics application in the engineering design integration system

    Science.gov (United States)

    Glatt, C. R.; Abel, R. W.; Hirsch, G. N.; Alford, G. E.; Colquitt, W. N.; Stewart, W. A.

    1975-01-01

    The computer graphics aspect of the Engineering Design Integration (EDIN) system and its application to design problems were discussed. Three basic types of computer graphics may be used with the EDIN system for the evaluation of aerospace vehicles preliminary designs: offline graphics systems using vellum-inking or photographic processes, online graphics systems characterized by direct coupled low cost storage tube terminals with limited interactive capabilities, and a minicomputer based refresh terminal offering highly interactive capabilities. The offline line systems are characterized by high quality (resolution better than 0.254 mm) and slow turnaround (one to four days). The online systems are characterized by low cost, instant visualization of the computer results, slow line speed (300 BAUD), poor hard copy, and the early limitations on vector graphic input capabilities. The recent acquisition of the Adage 330 Graphic Display system has greatly enhanced the potential for interactive computer aided design.

  17. CMS Distributed Computing Integration in the LHC sustained operations era

    International Nuclear Information System (INIS)

    Grandi, C; Bonacorsi, D; Bockelman, B; Fisk, I

    2011-01-01

    After many years of preparation the CMS computing system has reached a situation where stability in operations limits the possibility to introduce innovative features. Nevertheless it is the same need of stability and smooth operations that requires the introduction of features that were considered not strategic in the previous phases. Examples are: adequate authorization to control and prioritize the access to storage and computing resources; improved monitoring to investigate problems and identify bottlenecks on the infrastructure; increased automation to reduce the manpower needed for operations; effective process to deploy in production new releases of the software tools. We present the work of the CMS Distributed Computing Integration Activity that is responsible for providing a liaison between the CMS distributed computing infrastructure and the software providers, both internal and external to CMS. In particular we describe the introduction of new middleware features during the last 18 months as well as the requirements to Grid and Cloud software developers for the future.

  18. Computational Discovery of Materials Using the Firefly Algorithm

    Science.gov (United States)

    Avendaño-Franco, Guillermo; Romero, Aldo

    Our current ability to model physical phenomena accurately, the increase computational power and better algorithms are the driving forces behind the computational discovery and design of novel materials, allowing for virtual characterization before their realization in the laboratory. We present the implementation of a novel firefly algorithm, a population-based algorithm for global optimization for searching the structure/composition space. This novel computation-intensive approach naturally take advantage of concurrency, targeted exploration and still keeping enough diversity. We apply the new method in both periodic and non-periodic structures and we present the implementation challenges and solutions to improve efficiency. The implementation makes use of computational materials databases and network analysis to optimize the search and get insights about the geometric structure of local minima on the energy landscape. The method has been implemented in our software PyChemia, an open-source package for materials discovery. We acknowledge the support of DMREF-NSF 1434897 and the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research under Contract 54075-ND10.

  19. [INVITED] Computational intelligence for smart laser materials processing

    Science.gov (United States)

    Casalino, Giuseppe

    2018-03-01

    Computational intelligence (CI) involves using a computer algorithm to capture hidden knowledge from data and to use them for training ;intelligent machine; to make complex decisions without human intervention. As simulation is becoming more prevalent from design and planning to manufacturing and operations, laser material processing can also benefit from computer generating knowledge through soft computing. This work is a review of the state-of-the-art on the methodology and applications of CI in laser materials processing (LMP), which is nowadays receiving increasing interest from world class manufacturers and 4.0 industry. The focus is on the methods that have been proven effective and robust in solving several problems in welding, cutting, drilling, surface treating and additive manufacturing using the laser beam. After a basic description of the most common computational intelligences employed in manufacturing, four sections, namely, laser joining, machining, surface, and additive covered the most recent applications in the already extensive literature regarding the CI in LMP. Eventually, emerging trends and future challenges were identified and discussed.

  20. Implementation of the Facility Integrated Inventory Computer System (FICS)

    International Nuclear Information System (INIS)

    McEvers, J.A.; Krichinsky, A.M.; Layman, L.R.; Dunnigan, T.H.; Tuft, R.M.; Murray, W.P.

    1980-01-01

    This paper describes a computer system which has been developed for nuclear material accountability and implemented in an active radiochemical processing plant involving remote operations. The system posesses the following features: comprehensive, timely records of the location and quantities of special nuclear materials; automatically updated book inventory files on the plant and sub-plant levels of detail; material transfer coordination and cataloging; automatic inventory estimation; sample transaction coordination and cataloging; automatic on-line volume determination, limit checking, and alarming; extensive information retrieval capabilities; and terminal access and application software monitoring and logging

  1. Photonic Structure-Integrated Two-Dimensional Material Optoelectronics

    Directory of Open Access Journals (Sweden)

    Tianjiao Wang

    2016-12-01

    Full Text Available The rapid development and unique properties of two-dimensional (2D materials, such as graphene, phosphorene and transition metal dichalcogenides enable them to become intriguing candidates for future optoelectronic applications. To maximize the potential of 2D material-based optoelectronics, various photonic structures are integrated to form photonic structure/2D material hybrid systems so that the device performance can be manipulated in controllable ways. Here, we first introduce the photocurrent-generation mechanisms of 2D material-based optoelectronics and their performance. We then offer an overview and evaluation of the state-of-the-art of hybrid systems, where 2D material optoelectronics are integrated with photonic structures, especially plasmonic nanostructures, photonic waveguides and crystals. By combining with those photonic structures, the performance of 2D material optoelectronics can be further enhanced, and on the other side, a high-performance modulator can be achieved by electrostatically tuning 2D materials. Finally, 2D material-based photodetector can also become an efficient probe to learn the light-matter interactions of photonic structures. Those hybrid systems combine the advantages of 2D materials and photonic structures, providing further capacity for high-performance optoelectronics.

  2. Computational and Experimental Insight Into Single-Molecule Piezoelectric Materials

    Science.gov (United States)

    Marvin, Christopher Wayne

    Piezoelectric materials allow for the harvesting of ambient waste energy from the environment. Producing lightweight, highly responsive materials is a challenge for this type of material, requiring polymer, foam, or bio-inspired materials. In this dissertation, I explore the origin of the piezoelectric effect in single molecules through density functional theory (DFT), analyze the piezoresponse of bio-inspired peptidic materials through the use of atomic and piezoresponse force microscopy (AFM and PFM), and develop a novel class of materials combining flexible polyurethane foams and non-piezoelectric, polar dopants. For the DFT calculations, functional group, regiochemical, and heteroatom derivatives of [6]helicene were examined for their influence on the piezoelectric response. An aza[6]helicene derivative was found to have a piezoelectric response (108 pm/V) comparable to ceramics such as lead zirconium titanate (200+ pm/V). These computed materials have the possibility to compete with current field-leading piezomaterials such as lead zirconium titanate (PZT), zinc oxide (ZnO), and polyvinylidene difluoride (PVDF) and its derivatives. The use of AFM/PFM allows for the demonstration of the piezoelectric effect of the selfassembled monolayer (SAM) peptidic systems. Through PFM, the influence that the helicity and sequence of the peptide has on the overall response of the molecule can be analyzed. Finally, development of a novel class of piezoelectrics, the foam-based materials, expands the current understanding of the qualities required for a piezoelectric material from ceramic and rigid materials to more flexible, organic materials. Through the exploration of these novel types of piezoelectric materials, new design rules and figures of merit have been developed.

  3. Accelerating the design of biomimetic materials by integrating RNA-seq with proteomics and materials science.

    Science.gov (United States)

    Guerette, Paul A; Hoon, Shawn; Seow, Yiqi; Raida, Manfred; Masic, Admir; Wong, Fong T; Ho, Vincent H B; Kong, Kiat Whye; Demirel, Melik C; Pena-Francesch, Abdon; Amini, Shahrouz; Tay, Gavin Z; Ding, Dawei; Miserez, Ali

    2013-10-01

    Efforts to engineer new materials inspired by biological structures are hampered by the lack of genomic data from many model organisms studied in biomimetic research. Here we show that biomimetic engineering can be accelerated by integrating high-throughput RNA-seq with proteomics and advanced materials characterization. This approach can be applied to a broad range of systems, as we illustrate by investigating diverse high-performance biological materials involved in embryo protection, adhesion and predation. In one example, we rapidly engineer recombinant squid sucker ring teeth proteins into a range of structural and functional materials, including nanopatterned surfaces and photo-cross-linked films that exceed the mechanical properties of most natural and synthetic polymers. Integrating RNA-seq with proteomics and materials science facilitates the molecular characterization of natural materials and the effective translation of their molecular designs into a wide range of bio-inspired materials.

  4. Computational Design of Batteries from Materials to Systems

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Kandler A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Santhanagopalan, Shriram [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yang, Chuanbo [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Graf, Peter A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Usseglio Viretta, Francois L [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Li, Qibo [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Finegan, Donal [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Pesaran, Ahmad A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yao, Koffi (Pierre) [Argonne National Laboratory; Abraham, Daniel [Argonne National Laboratory; Dees, Dennis [Argonne National Laboratory; Jansen, Andy [Argonne National Laboratory; Mukherjee, Partha [Texas A& M University; Mistry, Aashutosh [Texas A& M University; Verma, Ankit [Texas A& M University; Lamb, Josh [Sandia National Laboratories; Darcy, Eric [NASA

    2017-09-01

    Computer models are helping to accelerate the design and validation of next generation batteries and provide valuable insights not possible through experimental testing alone. Validated 3-D physics-based models exist for predicting electrochemical performance, thermal and mechanical response of cells and packs under normal and abuse scenarios. The talk describes present efforts to make the models better suited for engineering design, including improving their computation speed, developing faster processes for model parameter identification including under aging, and predicting the performance of a proposed electrode material recipe a priori using microstructure models.

  5. Integrated Photonic Devices Incorporating Low-Loss Fluorinated Polymer Materials

    Directory of Open Access Journals (Sweden)

    Hyung-Jong Lee

    2011-06-01

    Full Text Available Low-loss polymer materials incorporating fluorinated compounds have been utilized for the investigation of various functional optical devices useful for optical communication and optical sensor systems. Since reliability issues concerning the polymer device have been resolved, polymeric waveguide devices have been gradually adopted for commercial application systems. The two most successfully commercialized polymeric integrated optic devices, variable optical attenuators and digital optical switches, are reviewed in this paper. Utilizing unique properties of optical polymers which are not available in other optical materials, novel polymeric optical devices are proposed including widely tunable external cavity lasers and integrated optical current sensors.

  6. Computer system for International Reactor Pressure Vessel Materials Database support

    International Nuclear Information System (INIS)

    Arutyunjan, R.; Kabalevsky, S.; Kiselev, V.; Serov, A.

    1997-01-01

    This report presents description of the computer tools for support of International Reactor Pressure Vessel Materials Database developed at IAEA. Work was focused on raw, qualified, processed materials data, search, retrieval, analysis, presentation and export possibilities of data. Developed software has the following main functions: provides software tools for querying and search of any type of data in the database; provides the capability to update the existing information in the database; provides the capability to present and print selected data; provides the possibility of export on yearly basis the run-time IRPVMDB with raw, qualified and processed materials data to Database members; provides the capability to export any selected sets of raw, qualified, processed materials data

  7. Computer-integrated design and information management for nuclear projects

    International Nuclear Information System (INIS)

    Gonzalez, A.; Martin-Guirado, L.; Nebrera, F.

    1987-01-01

    Over the past seven years, Empresarios Agrupados has been developing a comprehensive, computer-integrated system to perform the majority of the engineering, design, procurement and construction management activities in nuclear, fossil-fired as well as hydro power plant projects. This system, which is already in a production environment, comprises a large number of computer programs and data bases designed using a modular approach. Each software module, dedicated to meeting the needs of a particular design group or project discipline, facilitates the performance of functional tasks characteristic of the power plant engineering process

  8. Three-dimensional integrated CAE system applying computer graphic technique

    International Nuclear Information System (INIS)

    Kato, Toshisada; Tanaka, Kazuo; Akitomo, Norio; Obata, Tokayasu.

    1991-01-01

    A three-dimensional CAE system for nuclear power plant design is presented. This system utilizes high-speed computer graphic techniques for the plant design review, and an integrated engineering database for handling the large amount of nuclear power plant engineering data in a unified data format. Applying this system makes it possible to construct a nuclear power plant using only computer data from the basic design phase to the manufacturing phase, and it increases the productivity and reliability of the nuclear power plants. (author)

  9. Computation of rectangular source integral by rational parameter polynomial method

    International Nuclear Information System (INIS)

    Prabha, Hem

    2001-01-01

    Hubbell et al. (J. Res. Nat Bureau Standards 64C, (1960) 121) have obtained a series expansion for the calculation of the radiation field generated by a plane isotropic rectangular source (plaque), in which leading term is the integral H(a,b). In this paper another integral I(a,b), which is related with the integral H(a,b) has been solved by the rational parameter polynomial method. From I(a,b), we compute H(a,b). Using this method the integral I(a,b) is expressed in the form of a polynomial of a rational parameter. Generally, a function f (x) is expressed in terms of x. In this method this is expressed in terms of x/(1+x). In this way, the accuracy of the expression is good over a wide range of x as compared to the earlier approach. The results for I(a,b) and H(a,b) are given for a sixth degree polynomial and are found to be in good agreement with the results obtained by numerically integrating the integral. Accuracy could be increased either by increasing the degree of the polynomial or by dividing the range of integration. The results of H(a,b) and I(a,b) are given for values of b and a up to 2.0 and 20.0, respectively

  10. Theory of absorption integrated optical sensor of gaseous materials

    Science.gov (United States)

    Egorov, A. A.

    2010-10-01

    The eigen and noneigen (leaky) modes of a three-layer planar integrated optical waveguide are described. The dispersion relation of a three-layer planar waveguide and other dependences are derived, and the cutoff conditions are analyzed. The diagram of propagation constants of the guided and radiation modes of an irregular asymmetric three-layer waveguide and the dependence of the electric field amplitudes of radiation modes of substrate on vertical coordinate in a tantalum integrated optical waveguide are presented. The operating principles of an absorption integrated optical waveguide sensor are investigated. The dependences of sensitivity of an integrated optical waveguide sensor on the sensory cell length, the coupling efficiency of the laser radiation into the waveguide, the absorption cross-section of the studied material, and the level of additive statistical noise are investigated. Some of the prospective areas of application of integrated-optical waveguide sensors are outlined.

  11. 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.

  12. Investigations into radiation damages of reactor materials by computer simulation

    International Nuclear Information System (INIS)

    Bronnikov, V.A.

    2004-01-01

    Data on the state of works in European countries in the field of computerized simulation of radiation damages of reactor materials under the context of the international projects ITEM (European Database for Multiscale Modelling) and SIRENA (Simulation of Radiation Effects in Zr-Nb alloys) - computerized simulation of stress corrosion when contact of Zr-Nb alloys with iodine are presented. Computer codes for the simulation of radiation effects in reactor materials were developed. European Database for Multiscale Modelling (EDAM) was organized using the results of the investigations provided in the ITEM project [ru

  13. Statistical Methodologies to Integrate Experimental and Computational Research

    Science.gov (United States)

    Parker, P. A.; Johnson, R. T.; Montgomery, D. C.

    2008-01-01

    Development of advanced algorithms for simulating engine flow paths requires the integration of fundamental experiments with the validation of enhanced mathematical models. In this paper, we provide an overview of statistical methods to strategically and efficiently conduct experiments and computational model refinement. Moreover, the integration of experimental and computational research efforts is emphasized. With a statistical engineering perspective, scientific and engineering expertise is combined with statistical sciences to gain deeper insights into experimental phenomenon and code development performance; supporting the overall research objectives. The particular statistical methods discussed are design of experiments, response surface methodology, and uncertainty analysis and planning. Their application is illustrated with a coaxial free jet experiment and a turbulence model refinement investigation. Our goal is to provide an overview, focusing on concepts rather than practice, to demonstrate the benefits of using statistical methods in research and development, thereby encouraging their broader and more systematic application.

  14. Computer integration of engineering design and production: A national opportunity

    Science.gov (United States)

    1984-01-01

    The National Aeronautics and Space Administration (NASA), as a purchaser of a variety of manufactured products, including complex space vehicles and systems, clearly has a stake in the advantages of computer-integrated manufacturing (CIM). Two major NASA objectives are to launch a Manned Space Station by 1992 with a budget of $8 billion, and to be a leader in the development and application of productivity-enhancing technology. At the request of NASA, a National Research Council committee visited five companies that have been leaders in using CIM. Based on these case studies, technical, organizational, and financial issues that influence computer integration are described, guidelines for its implementation in industry are offered, and the use of CIM to manage the space station program is recommended.

  15. Applying Integrated Computer Assisted Media (ICAM in Teaching Vocabulary

    Directory of Open Access Journals (Sweden)

    Opick Dwi Indah

    2015-02-01

    Full Text Available The objective of this research was to find out whether the use of integrated computer assisted media (ICAM is effective to improve the vocabulary achievement of the second semester students of Cokroaminoto Palopo University. The population of this research was the second semester students of English department of Cokroaminoto Palopo University in academic year 2013/2014. The samples of this research were 60 students and they were placed into two groups: experimental and control group where each group consisted of 30 students. This research used cluster random sampling technique. The research data was collected by applying vocabulary test and it was analyzed by using descriptive and inferential statistics. The result of this research was integrated computer assisted media (ICAM can improve vocabulary achievement of the students of English department of Cokroaminoto Palopo University. It can be concluded that the use of ICAM in the teaching vocabulary is effective to be implemented in improving the students’ vocabulary achievement.

  16. Integrating computer programs for engineering analysis and design

    Science.gov (United States)

    Wilhite, A. W.; Crisp, V. K.; Johnson, S. C.

    1983-01-01

    The design of a third-generation system for integrating computer programs for engineering and design has been developed for the Aerospace Vehicle Interactive Design (AVID) system. This system consists of an engineering data management system, program interface software, a user interface, and a geometry system. A relational information system (ARIS) was developed specifically for the computer-aided engineering system. It is used for a repository of design data that are communicated between analysis programs, for a dictionary that describes these design data, for a directory that describes the analysis programs, and for other system functions. A method is described for interfacing independent analysis programs into a loosely-coupled design system. This method emphasizes an interactive extension of analysis techniques and manipulation of design data. Also, integrity mechanisms exist to maintain database correctness for multidisciplinary design tasks by an individual or a team of specialists. Finally, a prototype user interface program has been developed to aid in system utilization.

  17. Computational simulation of coupled material degradation processes for probabilistic lifetime strength of aerospace materials

    Science.gov (United States)

    Boyce, Lola; Bast, Callie C.

    1992-01-01

    The research included ongoing development of methodology that provides probabilistic lifetime strength of aerospace materials via computational simulation. A probabilistic material strength degradation model, in the form of a randomized multifactor interaction equation, is postulated for strength degradation of structural components of aerospace propulsion systems subjected to a number of effects or primative variables. These primative variable may include high temperature, fatigue or creep. In most cases, strength is reduced as a result of the action of a variable. This multifactor interaction strength degradation equation has been randomized and is included in the computer program, PROMISS. Also included in the research is the development of methodology to calibrate the above described constitutive equation using actual experimental materials data together with linear regression of that data, thereby predicting values for the empirical material constraints for each effect or primative variable. This regression methodology is included in the computer program, PROMISC. Actual experimental materials data were obtained from the open literature for materials typically of interest to those studying aerospace propulsion system components. Material data for Inconel 718 was analyzed using the developed methodology.

  18. RADTRAN: a computer code to analyze transportation of radioactive material

    International Nuclear Information System (INIS)

    Taylor, J.M.; Daniel, S.L.

    1977-04-01

    A computer code is presented which predicts the environmental impact of any specific scheme of radioactive material transportation. Results are presented in terms of annual latent cancer fatalities and annual early fatility probability resulting from exposure, during normal transportation or transport accidents. The code is developed in a generalized format to permit wide application including normal transportation analysis; consideration of alternatives; and detailed consideration of specific sectors of industry

  19. Computation of the radiation Q of dielectric-loaded electrically small antennas in integral equation formulations

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.

    2016-01-01

    A new technique for estimating the impedance frequency bandwidth of electrically small antennas loaded with magneto-dielectric material from a single-frequency simulation in a surface integral equation solver is presented. The estimate is based on the inverse of the radiation Q computed using newly...... derived expressions for the stored energy and the radiated power of arbitrary coupled electric and magnetic currents in free space....

  20. High-integrity software, computation and the scientific method

    International Nuclear Information System (INIS)

    Hatton, L.

    2012-01-01

    Computation rightly occupies a central role in modern science. Datasets are enormous and the processing implications of some algorithms are equally staggering. With the continuing difficulties in quantifying the results of complex computations, it is of increasing importance to understand its role in the essentially Popperian scientific method. In this paper, some of the problems with computation, for example the long-term unquantifiable presence of undiscovered defect, problems with programming languages and process issues will be explored with numerous examples. One of the aims of the paper is to understand the implications of trying to produce high-integrity software and the limitations which still exist. Unfortunately Computer Science itself suffers from an inability to be suitably critical of its practices and has operated in a largely measurement-free vacuum since its earliest days. Within computer science itself, this has not been so damaging in that it simply leads to unconstrained creativity and a rapid turnover of new technologies. In the applied sciences however which have to depend on computational results, such unquantifiability significantly undermines trust. It is time this particular demon was put to rest. (author)

  1. Integration of the Chinese HPC Grid in ATLAS Distributed Computing

    Science.gov (United States)

    Filipčič, A.; ATLAS Collaboration

    2017-10-01

    Fifteen Chinese High-Performance Computing sites, many of them on the TOP500 list of most powerful supercomputers, are integrated into a common infrastructure providing coherent access to a user through an interface based on a RESTful interface called SCEAPI. These resources have been integrated into the ATLAS Grid production system using a bridge between ATLAS and SCEAPI which translates the authorization and job submission protocols between the two environments. The ARC Computing Element (ARC-CE) forms the bridge using an extended batch system interface to allow job submission to SCEAPI. The ARC-CE was setup at the Institute for High Energy Physics, Beijing, in order to be as close as possible to the SCEAPI front-end interface at the Computing Network Information Center, also in Beijing. This paper describes the technical details of the integration between ARC-CE and SCEAPI and presents results so far with two supercomputer centers, Tianhe-IA and ERA. These two centers have been the pilots for ATLAS Monte Carlo Simulation in SCEAPI and have been providing CPU power since fall 2015.

  2. Integration of the Chinese HPC Grid in ATLAS Distributed Computing

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00081160; The ATLAS collaboration

    2016-01-01

    Fifteen Chinese High Performance Computing sites, many of them on the TOP500 list of most powerful supercomputers, are integrated into a common infrastructure providing coherent access to a user through an interface based on a RESTful interface called SCEAPI. These resources have been integrated into the ATLAS Grid production system using a bridge between ATLAS and SCEAPI which translates the authorization and job submission protocols between the two environments. The ARC Computing Element (ARC CE) forms the bridge using an extended batch system interface to allow job submission to SCEAPI. The ARC CE was setup at the Institute for High Energy Physics, Beijing, in order to be as close as possible to the SCEAPI front-end interface at the Computing Network Information Center, also in Beijing. This paper describes the technical details of the integration between ARC CE and SCEAPI and presents results so far with two supercomputer centers, Tianhe-IA and ERA. These two centers have been the pilots for ATLAS Monte C...

  3. Integration of the Chinese HPC Grid in ATLAS Distributed Computing

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00081160

    2017-01-01

    Fifteen Chinese High-Performance Computing sites, many of them on the TOP500 list of most powerful supercomputers, are integrated into a common infrastructure providing coherent access to a user through an interface based on a RESTful interface called SCEAPI. These resources have been integrated into the ATLAS Grid production system using a bridge between ATLAS and SCEAPI which translates the authorization and job submission protocols between the two environments. The ARC Computing Element (ARC-CE) forms the bridge using an extended batch system interface to allow job submission to SCEAPI. The ARC-CE was setup at the Institute for High Energy Physics, Beijing, in order to be as close as possible to the SCEAPI front-end interface at the Computing Network Information Center, also in Beijing. This paper describes the technical details of the integration between ARC-CE and SCEAPI and presents results so far with two supercomputer centers, Tianhe-IA and ERA. These two centers have been the pilots for ATLAS Monte C...

  4. An integrated computer aided system for integrated design of chemical processes

    DEFF Research Database (Denmark)

    Gani, Rafiqul; Hytoft, Glen; Jaksland, Cecilia

    1997-01-01

    In this paper, an Integrated Computer Aided System (ICAS), which is particularly suitable for solving problems related to integrated design of chemical processes; is presented. ICAS features include a model generator (generation of problem specific models including model simplification and model ...... form the basis for the toolboxes. The available features of ICAS are highlighted through a case study involving the separation of binary azeotropic mixtures. (C) 1997 Elsevier Science Ltd....

  5. Computation material science of structural-phase transformation in casting aluminium alloys

    Science.gov (United States)

    Golod, V. M.; Dobosh, L. Yu

    2017-04-01

    Successive stages of computer simulation the formation of the casting microstructure under non-equilibrium conditions of crystallization of multicomponent aluminum alloys are presented. On the basis of computer thermodynamics and heat transfer during solidification of macroscale shaped castings are specified the boundary conditions of local heat exchange at mesoscale modeling of non-equilibrium formation the solid phase and of the component redistribution between phases during coalescence of secondary dendrite branches. Computer analysis of structural - phase transitions based on the principle of additive physico-chemical effect of the alloy components in the process of diffusional - capillary morphological evolution of the dendrite structure and the o of local dendrite heterogeneity which stochastic nature and extent are revealed under metallographic study and modeling by the Monte Carlo method. The integrated computational materials science tools at researches of alloys are focused and implemented on analysis the multiple-factor system of casting processes and prediction of casting microstructure.

  6. Fast computation of complete elliptic integrals and Jacobian elliptic functions

    Science.gov (United States)

    Fukushima, Toshio

    2009-12-01

    As a preparation step to compute Jacobian elliptic functions efficiently, we created a fast method to calculate the complete elliptic integral of the first and second kinds, K( m) and E( m), for the standard domain of the elliptic parameter, 0 procedure to compute simultaneously three Jacobian elliptic functions, sn( u| m), cn( u| m), and dn( u| m), by repeated usage of the double argument formulae starting from the Maclaurin series expansions with respect to the elliptic argument, u, after its domain is reduced to the standard range, 0 ≤ u procedure is 25-70% faster than the methods based on the Gauss transformation such as Bulirsch’s algorithm, sncndn, quoted in the Numerical Recipes even if the acceleration of computation of K( m) is not taken into account.

  7. The role of computer modelling in participatory integrated assessments

    International Nuclear Information System (INIS)

    Siebenhuener, Bernd; Barth, Volker

    2005-01-01

    In a number of recent research projects, computer models have been included in participatory procedures to assess global environmental change. The intention was to support knowledge production and to help the involved non-scientists to develop a deeper understanding of the interactions between natural and social systems. This paper analyses the experiences made in three projects with the use of computer models from a participatory and a risk management perspective. Our cross-cutting analysis of the objectives, the employed project designs and moderation schemes and the observed learning processes in participatory processes with model use shows that models play a mixed role in informing participants and stimulating discussions. However, no deeper reflection on values and belief systems could be achieved. In terms of the risk management phases, computer models serve best the purposes of problem definition and option assessment within participatory integrated assessment (PIA) processes

  8. Adhesive Bonding to Computer-aided Design/ Computer-aided Manufacturing Esthetic Dental Materials: An Overview.

    Science.gov (United States)

    Awad, Mohamed Moustafa; Alqahtani, H; Al-Mudahi, A; Murayshed, M S; Alrahlah, A; Bhandi, Shilpa H

    2017-07-01

    To review the adhesive bonding to different computer-aided design/computer-aided manufacturing (CAD/CAM) esthetic restorative materials. The use of CAD/CAM esthetic restorative materials has gained popularity in recent years. Several CAD/ CAM esthetic restorative materials are commercially available. Adhesive bonding is a major determinant of success of CAD/ CAM restorations. Review result: An account of the currently available bonding strategies are discussed with their rationale in various CAD/ CAM materials. Different surface treatment methods as well as adhesion promoters can be used to achieve reliable bonding of CAD/CAM restorative materials. Selection of bonding strategy to such material is determined based on its composition. Further evidence is required to evaluate the effect of new surface treatment methods, such as nonthermal atmospheric plasma and self-etching ceramic primer on bonding to different dental ceramics. An understanding of the currently available bonding strategies to CA/CAM materials can help the clinician to select the most indicated system for each category of materials.

  9. Dynamic material accountancy in an integrated safeguards system

    International Nuclear Information System (INIS)

    Murrell, J.S.

    1979-01-01

    The nuclear material safeguards system at the Portsmouth Gaseous Diffusion Plant is currently being improved. A new material control system will provide computerized monitoring and accountability, and a new physical protection system will provide upgraded perimeter and portal entry monitoring. The control system incorporates remote computer terminals at all processing, transfer and storage areas throughout the plant. Terminal equipment is interfaced to a computer through teletype equipment. A typical terminal transaction would require verification that the particular activity (material movement or process operation) is authorized, identifying the container involved, weighing the container, and then verifying the enrichment with non-destructive assay instrumentation. The system, when fully operational, will provide near real-time accountability for each eight-hour work shift for all items in process. (author)

  10. Dynamic material accountancy in an integrated safeguards system

    International Nuclear Information System (INIS)

    Murrell, J.S.

    1978-01-01

    The nuclear material safeguards system at the Portsmouth Gaseous Diffusion Plant is currently being improved. A new material control system will provide computerized monitoring and accountability, and a new physical protection system will provide upgraded perimeter and portal entry monitoring. The control system incorporates remote computer terminals at all processing, transfer, and storage areas throughout the plant. Terminal equipment is interfaced to a computer through teletype equipment. A typical terminal transaction would require verification that the particular activity (material movement or process operation) is authorized, identifying the container involved, weighing the container, and then verifying the enrichment with non-destructive assay instrumentation. The system, when fully operational, will provide near real-time accountability for each eight-hour work shift for all items in process

  11. Integrating Xgrid into the HENP distributed computing model

    Energy Technology Data Exchange (ETDEWEB)

    Hajdu, L; Lauret, J [Brookhaven National Laboratory, Upton, NY 11973 (United States); Kocoloski, A; Miller, M [Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)], E-mail: kocolosk@mit.edu

    2008-07-15

    Modern Macintosh computers feature Xgrid, a distributed computing architecture built directly into Apple's OS X operating system. While the approach is radically different from those generally expected by the Unix based Grid infrastructures (Open Science Grid, TeraGrid, EGEE), opportunistic computing on Xgrid is nonetheless a tempting and novel way to assemble a computing cluster with a minimum of additional configuration. In fact, it requires only the default operating system and authentication to a central controller from each node. OS X also implements arbitrarily extensible metadata, allowing an instantly updated file catalog to be stored as part of the filesystem itself. The low barrier to entry allows an Xgrid cluster to grow quickly and organically. This paper and presentation will detail the steps that can be taken to make such a cluster a viable resource for HENP research computing. We will further show how to provide to users a unified job submission framework by integrating Xgrid through the STAR Unified Meta-Scheduler (SUMS), making tasks and jobs submission effortlessly at reach for those users already using the tool for traditional Grid or local cluster job submission. We will discuss additional steps that can be taken to make an Xgrid cluster a full partner in grid computing initiatives, focusing on Open Science Grid integration. MIT's Xgrid system currently supports the work of multiple research groups in the Laboratory for Nuclear Science, and has become an important tool for generating simulations and conducting data analyses at the Massachusetts Institute of Technology.

  12. An integrated approach towards future ballistic neck protection materials selection.

    Science.gov (United States)

    Breeze, John; Helliker, Mark; Carr, Debra J

    2013-05-01

    Ballistic protection for the neck has historically taken the form of collars attached to the ballistic vest (removable or fixed), but other approaches, including the development of prototypes incorporating ballistic material into the collar of an under body armour shirt, are now being investigated. Current neck collars incorporate the same ballistic protective fabrics as the soft armour of the remaining vest, reflecting how ballistic protective performance alone has historically been perceived as the most important property for neck protection. However, the neck has fundamental differences from the thorax in terms of anatomical vulnerability, flexibility and equipment integration, necessitating a separate solution from the thorax in terms of optimal materials selection. An integrated approach towards the selection of the most appropriate combination of materials to be used for each of the two potential designs of future neck protection has been developed. This approach requires evaluation of the properties of each potential material in addition to ballistic performance alone, including flexibility, mass, wear resistance and thermal burden. The aim of this article is to provide readers with an overview of this integrated approach towards ballistic materials selection and an update of its current progress in the development of future ballistic neck protection.

  13. Research Update: Computational materials discovery in soft matter

    Directory of Open Access Journals (Sweden)

    Tristan Bereau

    2016-05-01

    Full Text Available Soft matter embodies a wide range of materials, which all share the common characteristics of weak interaction energies determining their supramolecular structure. This complicates structure-property predictions and hampers the direct application of data-driven approaches to their modeling. We present several aspects in which these methods play a role in designing soft-matter materials: drug design as well as information-driven computer simulations, e.g., histogram reweighting. We also discuss recent examples of rational design of soft-matter materials fostered by physical insight and assisted by data-driven approaches. We foresee the combination of data-driven and physical approaches a promising strategy to move the field forward.

  14. 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.

  15. Defense Nuclear Material Stewardship Integrated Inventory Information Management System (IIIMS).

    Energy Technology Data Exchange (ETDEWEB)

    Aas, Christopher A.; Lenhart, James E.; Bray, Olin H.; Witcher, Christina Jenkin

    2004-11-01

    Sandia National Laboratories was tasked with developing the Defense Nuclear Material Stewardship Integrated Inventory Information Management System (IIIMS) with the sponsorship of NA-125.3 and the concurrence of DOE/NNSA field and area offices. The purpose of IIIMS was to modernize nuclear materials management information systems at the enterprise level. Projects over the course of several years attempted to spearhead this modernization. The scope of IIIMS was broken into broad enterprise-oriented materials management and materials forecasting. The IIIMS prototype was developed to allow multiple participating user groups to explore nuclear material requirements and needs in detail. The purpose of material forecasting was to determine nuclear material availability over a 10 to 15 year period in light of the dynamic nature of nuclear materials management. Formal DOE Directives (requirements) were needed to direct IIIMS efforts but were never issued and the project has been halted. When restarted, duplicating or re-engineering the activities from 1999 to 2003 is unnecessary, and in fact future initiatives can build on previous work. IIIMS requirements should be structured to provide high confidence that discrepancies are detected, and classified information is not divulged. Enterprise-wide materials management systems maintained by the military can be used as overall models to base IIIMS implementation concepts upon.

  16. Investigational research on the design of computational materials; Keisanki zairyo sekkei no chosa kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-03-01

    Computer chemistry was investigationally studied. The advance of theoretical chemistry is indispensable to the design of materials, and the theory and high speed computational method are expected which can simulate the real system with more accuracy. It is basic to simulate structures and physical properties of structural molecules and the aggregate, but the meso region, the intermedium region between structural molecules and the aggregate, has became regarded as important. Rough visualization models in high polymer materials and the progress of computational software/hardware of quantum chemistry/molecular dynamics such as catalyst become necessary. Seamless zooming is proposed as a concept of the software which simulates materials from micro/macro/meso viewpoints. Moreover, to make the most of computer chemistry, an integrated system is necessary which generally handles computational software, database, etc. For the development of software, indispensable is the demonstrative verification by a combination of experiments and researchers. Under a commission from NEDO, the investigational research was conducted as a leading study during fiscal 1996 and 1997 to view the course of the research. 17 refs., 37 figs., 5 tabs.

  17. A flexible, computer-integrated robotic transfer system

    International Nuclear Information System (INIS)

    Lewis, W.I. III; Taylor, R.M.

    1987-01-01

    This paper reviews a robotic system used to transport materials across a radiation control zone and into a row of shielded cells. The robot used is a five-axis GCA 600 industrial robot mounted on a 50-ft ESAB welding track. Custom software incorporates the track as the sixth axis of motion. An IBM-PC integrates robot control, force sensing, and the operator interface. Multiple end-effectors and a quick exchange mechanism are used to handle a variety of materials and tasks. Automatic error detection and recovery is a key aspect of this system

  18. Dynamic integration of remote cloud resources into local computing clusters

    Energy Technology Data Exchange (ETDEWEB)

    Fleig, Georg; Erli, Guenther; Giffels, Manuel; Hauth, Thomas; Quast, Guenter; Schnepf, Matthias [Institut fuer Experimentelle Kernphysik, Karlsruher Institut fuer Technologie (Germany)

    2016-07-01

    In modern high-energy physics (HEP) experiments enormous amounts of data are analyzed and simulated. Traditionally dedicated HEP computing centers are built or extended to meet this steadily increasing demand for computing resources. Nowadays it is more reasonable and more flexible to utilize computing power at remote data centers providing regular cloud services to users as they can be operated in a more efficient manner. This approach uses virtualization and allows the HEP community to run virtual machines containing a dedicated operating system and transparent access to the required software stack on almost any cloud site. The dynamic management of virtual machines depending on the demand for computing power is essential for cost efficient operation and sharing of resources with other communities. For this purpose the EKP developed the on-demand cloud manager ROCED for dynamic instantiation and integration of virtualized worker nodes into the institute's computing cluster. This contribution will report on the concept of our cloud manager and the implementation utilizing a remote OpenStack cloud site and a shared HPC center (bwForCluster located in Freiburg).

  19. The computational design of Geological Disposal Technology Integration System

    International Nuclear Information System (INIS)

    Ishihara, Yoshinao; Iwamoto, Hiroshi; Kobayashi, Shigeki; Neyama, Atsushi; Endo, Shuji; Shindo, Tomonori

    2002-03-01

    In order to develop 'Geological Disposal Technology Integration System' that is intended to systematize as knowledge base for fundamental study, the computational design of an indispensable database and image processing function to 'Geological Disposal Technology Integration System' was done, the prototype was made for trial purposes, and the function was confirmed. (1) Database of Integration System which systematized necessary information and relating information as an examination of a whole of repository composition and managed were constructed, and the system function was constructed as a system composed of image processing, analytical information management, the repository component management, and the system security function. (2) The range of the data treated with this system and information was examined, the design examination of the database structure was done, and the design examination of the image processing function of the data preserved in an integrated database was done. (3) The prototype of the database concerning a basic function, the system operation interface, and the image processing function was manufactured to verify the feasibility of the 'Geological Disposal Technology Integration System' based on the result of the design examination and the function was confirmed. (author)

  20. Computational micromechanics of wind blade materials: recent activities at the Materials Research Division, Risoe DTU

    Energy Technology Data Exchange (ETDEWEB)

    Mishnaevsky Jr., L.; Broendsted, P.; Qing, H.; Wang, H.; Soerensen, Bent F. (Technical Univ. of Denmark, Riso National Lab. for Sustainable Energy. Materials Research Div., Roskilde (Denmark)); OEstergaard, R.C. (LM Wind Power Blades, Composite Mechanics, Roskilde (Denmark))

    2010-10-22

    Recent research works in the area of 3D computational microstructural modelling, virtual testing and numerical optimization of wind blade materials, carried out at the Materials Research Division, Rise DTU (Programme Composites and Materials Mechanics) are summarized. The works presented here have been carried out in the framework of several research projects: EU FP6 Upwind, Danida project 'Development of wind energy technologies in Nepal' and SinoDanish project '3D Virtual Testing of composites for wind energy applications' as well as the Framework Program 'Interface design of composite materials' and recently established Danish Centre for Composite Structures and Materials for Wind Turbines. Different groups of materials, which are used or have a potential for use for the wind turbine blades, are modelled with the use of the methods of the computational micromechanics, in particular: (1) glass and carbon fiber reinforced polymer composites used in the large wind turbine blades, (2) different sorts of timber, used in small wind turbines (first of all, in developing countries) and (3) nanoparticle reinforced polymer matrix composites (which have a potential to be used as components for future high strength wind blades). On the basis of the developed 3D microstructural finite element models of these materials, we analyzed the effect of their microstructures on damage resistance, strength and stiffness. The methods of the 3D model design and results of the simulations are discussed in this paper. (Author)

  1. Robust localisation of automated guided vehicles for computer-integrated manufacturing environments

    Directory of Open Access Journals (Sweden)

    Dixon, R. C.

    2013-05-01

    Full Text Available As industry moves toward an era of complete automation and mass customisation, automated guided vehicles (AGVs are used as material handling systems. However, the current techniques that provide navigation, control, and manoeuvrability of automated guided vehicles threaten to create bottlenecks and inefficiencies in manufacturing environments that strive towards the optimisation of part production. This paper proposes a decentralised localisation technique for an automated guided vehicle without any non-holonomic constraints. Incorporation of these vehicles into the material handling system of a computer-integrated manufacturing environment would increase the characteristics of robustness, efficiency, flexibility, and advanced manoeuvrability.

  2. Artist Material BRDF Database for Computer Graphics Rendering

    Science.gov (United States)

    Ashbaugh, Justin C.

    The primary goal of this thesis was to create a physical library of artist material samples. This collection provides necessary data for the development of a gonio-imaging system for use in museums to more accurately document their collections. A sample set was produced consisting of 25 panels and containing nearly 600 unique samples. Selected materials are representative of those commonly used by artists both past and present. These take into account the variability in visual appearance resulting from the materials and application techniques used. Five attributes of variability were identified including medium, color, substrate, application technique and overcoat. Combinations of these attributes were selected based on those commonly observed in museum collections and suggested by surveying experts in the field. For each sample material, image data is collected and used to measure an average bi-directional reflectance distribution function (BRDF). The results are available as a public-domain image and optical database of artist materials at art-si.org. Additionally, the database includes specifications for each sample along with other information useful for computer graphics rendering such as the rectified sample images and normal maps.

  3. Computational simulation of heat transfer in laser melted material flow

    International Nuclear Information System (INIS)

    Shankar, V.; Gnanamuthu, D.

    1986-01-01

    A computational procedure has been developed to study the heat transfer process in laser-melted material flow associated with surface heat treatment of metallic alloys to improve wear-and-tear and corrosion resistance. The time-dependent incompressible Navier-Stokes equations are solved, accounting for both convective and conductive heat transfer processes. The convection, induced by surface tension and high surface temperature gradients, sets up a counterrotating vortex flow within the molten pool. This recirculating material flow is responsible for determining the molten pool shape and the associated cooling rates which affect the solidifying material composition. The numerical method involves an implicit triple-approximate factorization scheme for the energy equation, and an explicit treatment for the momentum and the continuity equations. An experimental setup, using a continuous wave CO 2 laser beam as a heat source, has been carried out to generate data for validation of the computational model. Results in terms of the depth, width, and shape of the molten pool and the heat-affected zone for various power settings and shapes of the laser, and for various travel speeds of the workpiece, compare very well with experimental data. The presence of the surface tension-induced vortex flow is demonstrated

  4. 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...

  5. An integrated web medicinal materials DNA database: MMDBD (Medicinal Materials DNA Barcode Database

    Directory of Open Access Journals (Sweden)

    But Paul

    2010-06-01

    Full Text Available Abstract Background Thousands of plants and animals possess pharmacological properties and there is an increased interest in using these materials for therapy and health maintenance. Efficacies of the application is critically dependent on the use of genuine materials. For time to time, life-threatening poisoning is found because toxic adulterant or substitute is administered. DNA barcoding provides a definitive means of authentication and for conducting molecular systematics studies. Owing to the reduced cost in DNA authentication, the volume of the DNA barcodes produced for medicinal materials is on the rise and necessitates the development of an integrated DNA database. Description We have developed an integrated DNA barcode multimedia information platform- Medicinal Materials DNA Barcode Database (MMDBD for data retrieval and similarity search. MMDBD contains over 1000 species of medicinal materials listed in the Chinese Pharmacopoeia and American Herbal Pharmacopoeia. MMDBD also contains useful information of the medicinal material, including resources, adulterant information, medical parts, photographs, primers used for obtaining the barcodes and key references. MMDBD can be accessed at http://www.cuhk.edu.hk/icm/mmdbd.htm. Conclusions This work provides a centralized medicinal materials DNA barcode database and bioinformatics tools for data storage, analysis and exchange for promoting the identification of medicinal materials. MMDBD has the largest collection of DNA barcodes of medicinal materials and is a useful resource for researchers in conservation, systematic study, forensic and herbal industry.

  6. Computer-aided analysis of cutting processes for brittle materials

    Science.gov (United States)

    Ogorodnikov, A. I.; Tikhonov, I. N.

    2017-12-01

    This paper is focused on 3D computer simulation of cutting processes for brittle materials and silicon wafers. Computer-aided analysis of wafer scribing and dicing is carried out with the use of the ANSYS CAE (computer-aided engineering) software, and a parametric model of the processes is created by means of the internal ANSYS APDL programming language. Different types of tool tip geometry are analyzed to obtain internal stresses, such as a four-sided pyramid with an included angle of 120° and a tool inclination angle to the normal axis of 15°. The quality of the workpieces after cutting is studied by optical microscopy to verify the FE (finite-element) model. The disruption of the material structure during scribing occurs near the scratch and propagates into the wafer or over its surface at a short range. The deformation area along the scratch looks like a ragged band, but the stress width is rather low. The theory of cutting brittle semiconductor and optical materials is developed on the basis of the advanced theory of metal turning. The fall of stress intensity along the normal on the way from the tip point to the scribe line can be predicted using the developed theory and with the verified FE model. The crystal quality and dimensions of defects are determined by the mechanics of scratching, which depends on the shape of the diamond tip, the scratching direction, the velocity of the cutting tool and applied force loads. The disunity is a rate-sensitive process, and it depends on the cutting thickness. The application of numerical techniques, such as FE analysis, to cutting problems enhances understanding and promotes the further development of existing machining technologies.

  7. Radiation-induced attenuation in integrated optical materials

    International Nuclear Information System (INIS)

    Evans, B.D.

    1989-01-01

    This paper reports that three materials commonly employed in opto-electronic integrated circuits evaluated for radiation-induced optical attenuation in the range 300 nm to 3000 nm. These include optically clear epoxy and crystalline lithium niobate after Co-60 exposure and crystalline tellurium dioxide after mixed gamma/fast-neutron exposure. In all these materials, however, induced loss was restricted to shorter wavelengths; attenuation induced at the telecommunications windows near 850, 1300 and 1550 nm was <0.1 dB/cm

  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. Associated computational plasticity schemes for nonassociated frictional materials

    DEFF Research Database (Denmark)

    Krabbenhoft, K.; Karim, M. R.; Lyamin, A. V.

    2012-01-01

    A new methodology for computational plasticity of nonassociated frictional materials is presented. The new approach is inspired by the micromechanical origins of friction and results in a set of governing equations similar to those of standard associated plasticity. As such, procedures previously...... developed for associated plasticity are applicable with minor modification. This is illustrated by adaptation of the standard implicit scheme. Moreover, the governing equations can be cast in terms of a variational principle, which after discretization is solved by means of a newly developed second...

  10. Performance evaluation on solar still integrated with nano-composite phase change materials

    International Nuclear Information System (INIS)

    Rajasekhar, G.; Eswaramoorthy, M.

    2015-01-01

    This paper communicates the performance evaluation of single slope solar still integrated with nano-composite phase change materials and compare with the experimental results of with and without phase change materials. A solar still with 1 m"2 surface area is developed with non-selective coating of absorber sheet with the provision of thermal energy storage materials. The solar still is tested on typical days with and without thermal energy storage materials. It is found that from the experimental studies that nano-materials (Al_2O_3) dispersed in paraffin wax is giving better cumulative yield of distillate than paraffin wax alone and without paraffin wax thermal storage. The daily efficiency of the solar still is computed for solar still with nano-composite phase change materials is 45% and solar still paraffin wax alone thermal storage is 40% and solar still without any thermal storage is 38%. It is concluded from the experimental studies; solar still integrated with nano-composite phase change materials gives better performance than with and without phase change material alone. (authors)

  11. Advanced data analysis in neuroscience integrating statistical and computational models

    CERN Document Server

    Durstewitz, Daniel

    2017-01-01

    This book is intended for use in advanced graduate courses in statistics / machine learning, as well as for all experimental neuroscientists seeking to understand statistical methods at a deeper level, and theoretical neuroscientists with a limited background in statistics. It reviews almost all areas of applied statistics, from basic statistical estimation and test theory, linear and nonlinear approaches for regression and classification, to model selection and methods for dimensionality reduction, density estimation and unsupervised clustering.  Its focus, however, is linear and nonlinear time series analysis from a dynamical systems perspective, based on which it aims to convey an understanding also of the dynamical mechanisms that could have generated observed time series. Further, it integrates computational modeling of behavioral and neural dynamics with statistical estimation and hypothesis testing. This way computational models in neuroscience are not only explanat ory frameworks, but become powerfu...

  12. Computing thermal Wigner densities with the phase integration method

    International Nuclear Information System (INIS)

    Beutier, J.; Borgis, D.; Vuilleumier, R.; Bonella, S.

    2014-01-01

    We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems

  13. Computing thermal Wigner densities with the phase integration method.

    Science.gov (United States)

    Beutier, J; Borgis, D; Vuilleumier, R; Bonella, S

    2014-08-28

    We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.

  14. Operational experience with the Sizewell B integrated plant computer system

    International Nuclear Information System (INIS)

    Ladner, J.E.J.; Alexander, N.C.; Fitzpatrick, J.A.

    1997-01-01

    The Westinghouse Integrated System for Centralised Operation (WISCO) is the primary plant control system at the Sizewell B Power Station. It comprises three subsystems; the High Integrity Control System (HICS), the Process Control System (PCS) and the Distributed Computer system (DCS). The HICS performs the control and data acquisition of nuclear safety significant plant systems. The PCS uses redundant data processing unit pairs. The workstations and servers of the DCS communicate with each other over a standard ethernet. The maintenance requirements for every plant system are covered by a Maintenance Strategy Report. The breakdown of these reports is listed. The WISCO system has performed exceptionally well. Due to the diagnostic information presented by the HICS, problems could normally be resolved within 24 hours. There have been some 200 outstanding modifications to the system. The procedure of modification is briefly described. (A.K.)

  15. Computational Approaches for Integrative Analysis of the Metabolome and Microbiome

    Directory of Open Access Journals (Sweden)

    Jasmine Chong

    2017-11-01

    Full Text Available The study of the microbiome, the totality of all microbes inhabiting the host or an environmental niche, has experienced exponential growth over the past few years. The microbiome contributes functional genes and metabolites, and is an important factor for maintaining health. In this context, metabolomics is increasingly applied to complement sequencing-based approaches (marker genes or shotgun metagenomics to enable resolution of microbiome-conferred functionalities associated with health. However, analyzing the resulting multi-omics data remains a significant challenge in current microbiome studies. In this review, we provide an overview of different computational approaches that have been used in recent years for integrative analysis of metabolome and microbiome data, ranging from statistical correlation analysis to metabolic network-based modeling approaches. Throughout the process, we strive to present a unified conceptual framework for multi-omics integration and interpretation, as well as point out potential future directions.

  16. Total quality through computer integrated manufacturing in the pharmaceutical industry.

    Science.gov (United States)

    Ufret, C M

    1995-01-01

    The role of Computer Integrated Manufacturing (CIM) in the pursue of total quality in pharmaceutical manufacturing is assessed. CIM key objectives, design criteria, and performance measurements, in addition to its scope and implementation in a hierarchical structure, are explored in detail. Key elements for the success of each phase in a CIM project and a brief status of current CIM implementations in the pharmaceutical industry are presented. The role of World Class Manufacturing performance standards and other key issues to achieve full CIM benefits are also addressed.

  17. Computer integrated construction at AB building in reprocessing plant

    International Nuclear Information System (INIS)

    Takami, Masahiro; Azuchi, Takehiro; Sekiguchi, Kenji

    1999-01-01

    JNFL (Japan Nuclear Fuel Limited) is now processing with construction of the spent nuclear fuel reprocessing plant at Rokkasho Village in Aomori Prefecture, which is coming near to the busiest period of construction. Now we are trying to complete the civil work of AB Building and KA Building in a very short construction term by applying CIC (Computer Integrated Construction) concept, in spite of its hard construction conditions, such as the massive and complicated building structure, interferences with M and E (Mechanical and Electrical) work, severe winter weather, remote site location, etc. The key technologies of CIC are three-dimensional CAD, information network, and prefabrication and mechanization of site work. (author)

  18. Integration of Openstack cloud resources in BES III computing cluster

    Science.gov (United States)

    Li, Haibo; Cheng, Yaodong; Huang, Qiulan; Cheng, Zhenjing; Shi, Jingyan

    2017-10-01

    Cloud computing provides a new technical means for data processing of high energy physics experiment. However, the resource of each queue is fixed and the usage of the resource is static in traditional job management system. In order to make it simple and transparent for physicist to use, we developed a virtual cluster system (vpmanager) to integrate IHEPCloud and different batch systems such as Torque and HTCondor. Vpmanager provides dynamic virtual machines scheduling according to the job queue. The BES III use case results show that resource efficiency is greatly improved.

  19. Integration of rocket turbine design and analysis through computer graphics

    Science.gov (United States)

    Hsu, Wayne; Boynton, Jim

    1988-01-01

    An interactive approach with engineering computer graphics is used to integrate the design and analysis processes of a rocket engine turbine into a progressive and iterative design procedure. The processes are interconnected through pre- and postprocessors. The graphics are used to generate the blade profiles, their stacking, finite element generation, and analysis presentation through color graphics. Steps of the design process discussed include pitch-line design, axisymmetric hub-to-tip meridional design, and quasi-three-dimensional analysis. The viscous two- and three-dimensional analysis codes are executed after acceptable designs are achieved and estimates of initial losses are confirmed.

  20. Computed tomographic evaluation of dinosar egg shell integrity

    International Nuclear Information System (INIS)

    Jones, J.C.; Greenberg, W.; Ayers, S.

    1998-01-01

    The purpose of this study was to determine whether computed tomography (CT) could be used to identify hatching holes in partially embedded dinosaur eggs. One Faveololithus and two Dendroolithus eggs were examined using a fourth generation CT scanner. The eggs were partially embedded in a fossilized sediment matrix, with the exposed portion of the shell appearing intact. In CT images of all three eggs, the shells appeared hyperdense relative to the matrix. Hatching holes were visible as large gaps in the embedded portion of the shell, with inwardly displaced shell fragments. It was concluded that CT is an effective technique for nondestructively assessing dinosaur egg shell integrity

  1. 3-D computer graphics based on integral photography.

    Science.gov (United States)

    Naemura, T; Yoshida, T; Harashima, H

    2001-02-12

    Integral photography (IP), which is one of the ideal 3-D photographic technologies, can be regarded as a method of capturing and displaying light rays passing through a plane. The NHK Science and Technical Research Laboratories have developed a real-time IP system using an HDTV camera and an optical fiber array. In this paper, the authors propose a method of synthesizing arbitrary views from IP images captured by the HDTV camera. This is a kind of image-based rendering system, founded on the 4-D data space Representation of light rays. Experimental results show the potential to improve the quality of images rendered by computer graphics techniques.

  2. Corporate Disclosure, Materiality, and Integrated Report: An Event Study Analysis

    OpenAIRE

    Maria Cleofe Giorgino; Enrico Supino; Federico Barnabè

    2017-01-01

    Within the extensive literature investigating the impacts of corporate disclosure in supporting the sustainable growth of an organization, few studies have included in the analysis the materiality issue referred to the information being disclosed. This article aims to address this gap, exploring the effect produced on capital markets by the publication of a recent corporate reporting tool, Integrated Report (IR). The features of this tool are that it aims to represent the multidimensional imp...

  3. 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.

  4. Analog Integrated Circuit Design for Spike Time Dependent Encoder and Reservoir in Reservoir Computing Processors

    Science.gov (United States)

    2018-01-01

    HAS BEEN REVIEWED AND IS APPROVED FOR PUBLICATION IN ACCORDANCE WITH ASSIGNED DISTRIBUTION STATEMENT. FOR THE CHIEF ENGINEER : / S / / S...bridged high-performance computing, nanotechnology , and integrated circuits & systems. 15. SUBJECT TERMS neuromorphic computing, neuron design, spike...multidisciplinary effort encompassed high-performance computing, nanotechnology , integrated circuits, and integrated systems. The project’s architecture was

  5. Computer simulation of multi-elemental fusion reactor materials

    International Nuclear Information System (INIS)

    Voertler, K.

    2011-01-01

    Thermonuclear fusion is a sustainable energy solution, in which energy is produced using similar processes as in the sun. In this technology hydrogen isotopes are fused to gain energy and consequently to produce electricity. In a fusion reactor hydrogen isotopes are confined by magnetic fields as ionized gas, the plasma. Since the core plasma is millions of degrees hot, there are special needs for the plasma-facing materials. Moreover, in the plasma the fusion of hydrogen isotopes leads to the production of high energetic neutrons which sets demanding abilities for the structural materials of the reactor. This thesis investigates the irradiation response of materials to be used in future fusion reactors. Interactions of the plasma with the reactor wall leads to the removal of surface atoms, migration of them, and formation of co-deposited layers such as tungsten carbide. Sputtering of tungsten carbide and deuterium trapping in tungsten carbide was investigated in this thesis. As the second topic the primary interaction of the neutrons in the structural material steel was examined. As model materials for steel iron chromium and iron nickel were used. This study was performed theoretically by the means of computer simulations on the atomic level. In contrast to previous studies in the field, in which simulations were limited to pure elements, in this work more complex materials were used, i.e. they were multi-elemental including two or more atom species. The results of this thesis are in the microscale. One of the results is a catalogue of atom species, which were removed from tungsten carbide by the plasma. Another result is e.g. the atomic distributions of defects in iron chromium caused by the energetic neutrons. These microscopic results are used in data bases for multiscale modelling of fusion reactor materials, which has the aim to explain the macroscopic degradation in the materials. This thesis is therefore a relevant contribution to investigate the

  6. 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

  7. Computational simulation of materials notes for lectures given at UCSB, May 1996--June 1996

    Energy Technology Data Exchange (ETDEWEB)

    LeSar, R.

    1997-01-01

    This report presents information from a lecture given on the computational simulation of materials. The purpose is to introduce modern computerized simulation methods for materials properties and response.

  8. Integrated Computational Solution for Predicting Skin Sensitization Potential of Molecules.

    Directory of Open Access Journals (Sweden)

    Konda Leela Sarath Kumar

    Full Text Available Skin sensitization forms a major toxicological endpoint for dermatology and cosmetic products. Recent ban on animal testing for cosmetics demands for alternative methods. We developed an integrated computational solution (SkinSense that offers a robust solution and addresses the limitations of existing computational tools i.e. high false positive rate and/or limited coverage.The key components of our solution include: QSAR models selected from a combinatorial set, similarity information and literature-derived sub-structure patterns of known skin protein reactive groups. Its prediction performance on a challenge set of molecules showed accuracy = 75.32%, CCR = 74.36%, sensitivity = 70.00% and specificity = 78.72%, which is better than several existing tools including VEGA (accuracy = 45.00% and CCR = 54.17% with 'High' reliability scoring, DEREK (accuracy = 72.73% and CCR = 71.44% and TOPKAT (accuracy = 60.00% and CCR = 61.67%. Although, TIMES-SS showed higher predictive power (accuracy = 90.00% and CCR = 92.86%, the coverage was very low (only 10 out of 77 molecules were predicted reliably.Owing to improved prediction performance and coverage, our solution can serve as a useful expert system towards Integrated Approaches to Testing and Assessment for skin sensitization. It would be invaluable to cosmetic/ dermatology industry for pre-screening their molecules, and reducing time, cost and animal testing.

  9. A study to compute integrated dpa for neutron and ion irradiation environments using SRIM-2013

    Science.gov (United States)

    Saha, Uttiyoarnab; Devan, K.; Ganesan, S.

    2018-05-01

    Displacements per atom (dpa), estimated based on the standard Norgett-Robinson-Torrens (NRT) model, is used for assessing radiation damage effects in fast reactor materials. A computer code CRaD has been indigenously developed towards establishing the infrastructure to perform improved radiation damage studies in Indian fast reactors. We propose a method for computing multigroup neutron NRT dpa cross sections based on SRIM-2013 simulations. In this method, for each neutron group, the recoil or primary knock-on atom (PKA) spectrum and its average energy are first estimated with CRaD code from ENDF/B-VII.1. This average PKA energy forms the input for SRIM simulation, wherein the recoil atom is taken as the incoming ion on the target. The NRT-dpa cross section of iron computed with "Quick" Kinchin-Pease (K-P) option of SRIM-2013 is found to agree within 10% with the standard NRT-dpa values, if damage energy from SRIM simulation is used. SRIM-2013 NRT-dpa cross sections applied to estimate the integrated dpa for Fe, Cr and Ni are in good agreement with established computer codes and data. A similar study carried out for polyatomic material, SiC, shows encouraging results. In this case, it is observed that the NRT approach with average lattice displacement energy of 25 eV coupled with the damage energies from the K-P option of SRIM-2013 gives reliable displacement cross sections and integrated dpa for various reactor spectra. The source term of neutron damage can be equivalently determined in the units of dpa by simulating self-ion bombardment. This shows that the information of primary recoils obtained from CRaD can be reliably applied to estimate the integrated dpa and damage assessment studies in accelerator-based self-ion irradiation experiments of structural materials. This study would help to advance the investigation of possible correlations between the damages induced by ions and reactor neutrons.

  10. Computational Acoustics: Computational PDEs, Pseudodifferential Equations, Path Integrals, and All That Jazz

    Science.gov (United States)

    Fishman, Louis

    2000-11-01

    The role of mathematical modeling in the physical sciences will be briefly addressed. Examples will focus on computational acoustics, with applications to underwater sound propagation, electromagnetic modeling, optics, and seismic inversion. Direct and inverse wave propagation problems in both the time and frequency domains will be considered. Focusing on fixed-frequency (elliptic) wave propagation problems, the usual, two-way, partial differential equation formulation will be exactly reformulated, in a well-posed manner, as a one-way (marching) problem. This is advantageous for both direct and inverse considerations, as well as stochastic modeling problems. The reformulation will require the introduction of pseudodifferential operators and their accompanying phase space analysis (calculus), in addition to path integral representations for the fundamental solutions and their subsequent computational algorithms. Unlike the more traditional, purely numerical applications of, for example, finite-difference and finite-element methods, this approach, in effect, writes the exact, or, more generally, the asymptotically correct, answer as a functional integral and, subsequently, computes it directly. The overall computational philosophy is to combine analysis, asymptotics, and numerical methods to attack complicated, real-world problems. Exact and asymptotic analysis will stress the complementary nature of the direct and inverse formulations, as well as indicating the explicit structural connections between the time- and frequency-domain solutions.

  11. Tavaxy: integrating Taverna and Galaxy workflows with cloud computing support.

    Science.gov (United States)

    Abouelhoda, Mohamed; Issa, Shadi Alaa; Ghanem, Moustafa

    2012-05-04

    Over the past decade the workflow system paradigm has evolved as an efficient and user-friendly approach for developing complex bioinformatics applications. Two popular workflow systems that have gained acceptance by the bioinformatics community are Taverna and Galaxy. Each system has a large user-base and supports an ever-growing repository of application workflows. However, workflows developed for one system cannot be imported and executed easily on the other. The lack of interoperability is due to differences in the models of computation, workflow languages, and architectures of both systems. This lack of interoperability limits sharing of workflows between the user communities and leads to duplication of development efforts. In this paper, we present Tavaxy, a stand-alone system for creating and executing workflows based on using an extensible set of re-usable workflow patterns. Tavaxy offers a set of new features that simplify and enhance the development of sequence analysis applications: It allows the integration of existing Taverna and Galaxy workflows in a single environment, and supports the use of cloud computing capabilities. The integration of existing Taverna and Galaxy workflows is supported seamlessly at both run-time and design-time levels, based on the concepts of hierarchical workflows and workflow patterns. The use of cloud computing in Tavaxy is flexible, where the users can either instantiate the whole system on the cloud, or delegate the execution of certain sub-workflows to the cloud infrastructure. Tavaxy reduces the workflow development cycle by introducing the use of workflow patterns to simplify workflow creation. It enables the re-use and integration of existing (sub-) workflows from Taverna and Galaxy, and allows the creation of hybrid workflows. Its additional features exploit recent advances in high performance cloud computing to cope with the increasing data size and complexity of analysis.The system can be accessed either through a

  12. Tavaxy: Integrating Taverna and Galaxy workflows with cloud computing support

    Directory of Open Access Journals (Sweden)

    Abouelhoda Mohamed

    2012-05-01

    Full Text Available Abstract Background Over the past decade the workflow system paradigm has evolved as an efficient and user-friendly approach for developing complex bioinformatics applications. Two popular workflow systems that have gained acceptance by the bioinformatics community are Taverna and Galaxy. Each system has a large user-base and supports an ever-growing repository of application workflows. However, workflows developed for one system cannot be imported and executed easily on the other. The lack of interoperability is due to differences in the models of computation, workflow languages, and architectures of both systems. This lack of interoperability limits sharing of workflows between the user communities and leads to duplication of development efforts. Results In this paper, we present Tavaxy, a stand-alone system for creating and executing workflows based on using an extensible set of re-usable workflow patterns. Tavaxy offers a set of new features that simplify and enhance the development of sequence analysis applications: It allows the integration of existing Taverna and Galaxy workflows in a single environment, and supports the use of cloud computing capabilities. The integration of existing Taverna and Galaxy workflows is supported seamlessly at both run-time and design-time levels, based on the concepts of hierarchical workflows and workflow patterns. The use of cloud computing in Tavaxy is flexible, where the users can either instantiate the whole system on the cloud, or delegate the execution of certain sub-workflows to the cloud infrastructure. Conclusions Tavaxy reduces the workflow development cycle by introducing the use of workflow patterns to simplify workflow creation. It enables the re-use and integration of existing (sub- workflows from Taverna and Galaxy, and allows the creation of hybrid workflows. Its additional features exploit recent advances in high performance cloud computing to cope with the increasing data size and

  13. Tavaxy: Integrating Taverna and Galaxy workflows with cloud computing support

    Science.gov (United States)

    2012-01-01

    Background Over the past decade the workflow system paradigm has evolved as an efficient and user-friendly approach for developing complex bioinformatics applications. Two popular workflow systems that have gained acceptance by the bioinformatics community are Taverna and Galaxy. Each system has a large user-base and supports an ever-growing repository of application workflows. However, workflows developed for one system cannot be imported and executed easily on the other. The lack of interoperability is due to differences in the models of computation, workflow languages, and architectures of both systems. This lack of interoperability limits sharing of workflows between the user communities and leads to duplication of development efforts. Results In this paper, we present Tavaxy, a stand-alone system for creating and executing workflows based on using an extensible set of re-usable workflow patterns. Tavaxy offers a set of new features that simplify and enhance the development of sequence analysis applications: It allows the integration of existing Taverna and Galaxy workflows in a single environment, and supports the use of cloud computing capabilities. The integration of existing Taverna and Galaxy workflows is supported seamlessly at both run-time and design-time levels, based on the concepts of hierarchical workflows and workflow patterns. The use of cloud computing in Tavaxy is flexible, where the users can either instantiate the whole system on the cloud, or delegate the execution of certain sub-workflows to the cloud infrastructure. Conclusions Tavaxy reduces the workflow development cycle by introducing the use of workflow patterns to simplify workflow creation. It enables the re-use and integration of existing (sub-) workflows from Taverna and Galaxy, and allows the creation of hybrid workflows. Its additional features exploit recent advances in high performance cloud computing to cope with the increasing data size and complexity of analysis. The system

  14. Assessing the integrity of local area network materials accountability systems against insider threats

    International Nuclear Information System (INIS)

    Jones, E.; Sicherman, A.

    1996-07-01

    DOE facilities rely increasingly on computerized systems to manage nuclear materials accountability data and to protect against diversion of nuclear materials or other malevolent acts (e.g., hoax due to falsified data) by insider threats. Aspects of modern computerized material accountability (MA) systems including powerful personal computers and applications on networks, mixed security environments, and more users with increased knowledge, skills and abilities help heighten the concern about insider threats to the integrity of the system. In this paper, we describe a methodology for assessing MA applications to help decision makers identify ways of and compare options for preventing or mitigating possible additional risks from the insider threat. We illustrate insights from applying the methodology to local area network materials accountability systems

  15. Integrating publicly-available data to generate computationally ...

    Science.gov (United States)

    The adverse outcome pathway (AOP) framework provides a way of organizing knowledge related to the key biological events that result in a particular health outcome. For the majority of environmental chemicals, the availability of curated pathways characterizing potential toxicity is limited. Methods are needed to assimilate large amounts of available molecular data and quickly generate putative AOPs for further testing and use in hazard assessment. A graph-based workflow was used to facilitate the integration of multiple data types to generate computationally-predicted (cp) AOPs. Edges between graph entities were identified through direct experimental or literature information or computationally inferred using frequent itemset mining. Data from the TG-GATEs and ToxCast programs were used to channel large-scale toxicogenomics information into a cpAOP network (cpAOPnet) of over 20,000 relationships describing connections between chemical treatments, phenotypes, and perturbed pathways measured by differential gene expression and high-throughput screening targets. Sub-networks of cpAOPs for a reference chemical (carbon tetrachloride, CCl4) and outcome (hepatic steatosis) were extracted using the network topology. Comparison of the cpAOP subnetworks to published mechanistic descriptions for both CCl4 toxicity and hepatic steatosis demonstrate that computational approaches can be used to replicate manually curated AOPs and identify pathway targets that lack genomic mar

  16. Integrated Geo Hazard Management System in Cloud Computing Technology

    Science.gov (United States)

    Hanifah, M. I. M.; Omar, R. C.; Khalid, N. H. N.; Ismail, A.; Mustapha, I. S.; Baharuddin, I. N. Z.; Roslan, R.; Zalam, W. M. Z.

    2016-11-01

    Geo hazard can result in reducing of environmental health and huge economic losses especially in mountainous area. In order to mitigate geo-hazard effectively, cloud computer technology are introduce for managing geo hazard database. Cloud computing technology and it services capable to provide stakeholder's with geo hazards information in near to real time for an effective environmental management and decision-making. UNITEN Integrated Geo Hazard Management System consist of the network management and operation to monitor geo-hazard disaster especially landslide in our study area at Kelantan River Basin and boundary between Hulu Kelantan and Hulu Terengganu. The system will provide easily manage flexible measuring system with data management operates autonomously and can be controlled by commands to collects and controls remotely by using “cloud” system computing. This paper aims to document the above relationship by identifying the special features and needs associated with effective geohazard database management using “cloud system”. This system later will use as part of the development activities and result in minimizing the frequency of the geo-hazard and risk at that research area.

  17. Integrating multiple scientific computing needs via a Private Cloud infrastructure

    International Nuclear Information System (INIS)

    Bagnasco, S; Berzano, D; Brunetti, R; Lusso, S; Vallero, S

    2014-01-01

    In a typical scientific computing centre, diverse applications coexist and share a single physical infrastructure. An underlying Private Cloud facility eases the management and maintenance of heterogeneous use cases such as multipurpose or application-specific batch farms, Grid sites catering to different communities, parallel interactive data analysis facilities and others. It allows to dynamically and efficiently allocate resources to any application and to tailor the virtual machines according to the applications' requirements. Furthermore, the maintenance of large deployments of complex and rapidly evolving middleware and application software is eased by the use of virtual images and contextualization techniques; for example, rolling updates can be performed easily and minimizing the downtime. In this contribution we describe the Private Cloud infrastructure at the INFN-Torino Computer Centre, that hosts a full-fledged WLCG Tier-2 site and a dynamically expandable PROOF-based Interactive Analysis Facility for the ALICE experiment at the CERN LHC and several smaller scientific computing applications. The Private Cloud building blocks include the OpenNebula software stack, the GlusterFS filesystem (used in two different configurations for worker- and service-class hypervisors) and the OpenWRT Linux distribution (used for network virtualization). A future integration into a federated higher-level infrastructure is made possible by exposing commonly used APIs like EC2 and by using mainstream contextualization tools like CloudInit.

  18. Global Seabed Materials and Habitats Mapped: The Computational Methods

    Science.gov (United States)

    Jenkins, C. J.

    2016-02-01

    What the seabed is made of has proven difficult to map on the scale of whole ocean-basins. Direct sampling and observation can be augmented with proxy-parameter methods such as acoustics. Both avenues are essential to obtain enough detail and coverage, and also to validate the mapping methods. We focus on the direct observations such as samplings, photo and video, probes, diver and sub reports, and surveyed features. These are often in word-descriptive form: over 85% of the records for site materials are in this form, whether as sample/view descriptions or classifications, or described parameters such as consolidation, color, odor, structures and components. Descriptions are absolutely necessary for unusual materials and for processes - in other words, for research. This project dbSEABED not only has the largest collection of seafloor materials data worldwide, but it uses advanced computing math to obtain the best possible coverages and detail. Included in those techniques are linguistic text analysis (e.g., Natural Language Processing, NLP), fuzzy set theory (FST), and machine learning (ML, e.g., Random Forest). These techniques allow efficient and accurate import of huge datasets, thereby optimizing the data that exists. They merge quantitative and qualitative types of data for rich parameter sets, and extrapolate where the data are sparse for best map production. The dbSEABED data resources are now very widely used worldwide in oceanographic research, environmental management, the geosciences, engineering and survey.

  19. Organic-inorganic hybrid material SUNCONNECT® for photonic integrated circuit

    Science.gov (United States)

    Nawata, Hideyuki; Oshima, Juro; Kashino, Tsubasa

    2018-02-01

    In this paper, we report the feature and properties about organic-inorganic hybrid material, "SUNCONNECT®" for photonic integrated circuit. "SUNCONNECT®" materials have low propagation loss at 1310nm (0.29dB/cm) and 1550nm (0.45dB/cm) respectively. In addition, the material has high thermal resistance both high temperature annealing test at 300°C and also 260°C solder heat resistance test. For actual device application, high reliability is required. 85°C /85% test was examined by using multi-mode waveguide. As a result, it indicated that variation of insertion loss property was not changed significantly after high temperature / high humidity test. For the application to photonic integrated circuit, it was demonstrated to fabricate polymer optical waveguide by using three different methods. Single-micron core pattern can be fabricated on cladding layer by using UV lithography with proximity gap exposure. Also, single-mode waveguide can be also fabricated with over cladding. On the other hands, "Mosquito method" and imprint method can be applied to fabricate polymer optical waveguide. Remarkably, these two methods can fabricate gradedindex type optical waveguide without using photo mask. In order to evaluate the optical performance, NFP's observation, measurement of insertion loss and propagation loss by cut-back methods were carried out by using each waveguide sample.

  20. Integrated optoelectronic materials and circuits for optical interconnects

    International Nuclear Information System (INIS)

    Hutcheson, L.D.

    1988-01-01

    Conventional interconnect and switching technology is rapidly becoming a critical issue in the realization of systems using high speed silicon and GaAs based technologies. In recent years clock speeds and on-chip density for VLSI/VHSIC technology has made packaging these high speed chips extremely difficult. A strong case can be made for using optical interconnects for on-chip/on-wafer, chip-to-chip and board-to-board high speed communications. GaAs integrated optoelectronic circuits (IOC's) are being developed in a number of laboratories for performing Input/Output functions at all levels. In this paper integrated optoelectronic materials, electronics and optoelectronic devices are presented. IOC's are examined from the standpoint of what it takes to fabricate the devices and what performance can be expected

  1. Resilient and Robust High Performance Computing Platforms for Scientific Computing Integrity

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Yier [Univ. of Central Florida, Orlando, FL (United States)

    2017-07-14

    As technology advances, computer systems are subject to increasingly sophisticated cyber-attacks that compromise both their security and integrity. High performance computing platforms used in commercial and scientific applications involving sensitive, or even classified data, are frequently targeted by powerful adversaries. This situation is made worse by a lack of fundamental security solutions that both perform efficiently and are effective at preventing threats. Current security solutions fail to address the threat landscape and ensure the integrity of sensitive data. As challenges rise, both private and public sectors will require robust technologies to protect its computing infrastructure. The research outcomes from this project try to address all these challenges. For example, we present LAZARUS, a novel technique to harden kernel Address Space Layout Randomization (KASLR) against paging-based side-channel attacks. In particular, our scheme allows for fine-grained protection of the virtual memory mappings that implement the randomization. We demonstrate the effectiveness of our approach by hardening a recent Linux kernel with LAZARUS, mitigating all of the previously presented side-channel attacks on KASLR. Our extensive evaluation shows that LAZARUS incurs only 0.943% overhead for standard benchmarks, and is therefore highly practical. We also introduced HA2lloc, a hardware-assisted allocator that is capable of leveraging an extended memory management unit to detect memory errors in the heap. We also perform testing using HA2lloc in a simulation environment and find that the approach is capable of preventing common memory vulnerabilities.

  2. A THIRD WAY: ONLINE LABS INTEGRATED WITH PRINT MATERIALS

    Directory of Open Access Journals (Sweden)

    Roger Falmer

    2012-07-01

    Full Text Available Abstract: The use of ICT in language education to enhance classroom-based instruction is examined in reference to blended learning. A blended model of integrating technological advances via an online lab with a face-to-face classroom environment is presented. The example of this operating in practice is iZone, a four-level print-digital series designed with the online component called MyiZoneLab at its heart, forming a cohesive and inseparable whole with its accompanying texts. Overcoming the limitations of classroom-only instruction is a particular strength of advances in computer technology. Delivering a unified body of content through different mediums is in effect a third way, neither just online nor simply in class, and this newer model has the capability to fully exploit and reinforce the advantages of each separate medium. Online access via a web browser may make good on the promise of studying whenever the learner desires, wherever they happen to be. To this movement towards flexibility in time and place is added a further ingredient, that of choice in self-study or learning with others, and of matching the time the individual spends on tasks to their needs. Integration and inseparability are inherent in this blended model, unleashing the potentiality of technological developments in language education while seeking to transcend the either online or face-to-face learning dichotomy. Keywords: ICT (Information and Communications Technology, blended learning; online labs, F2F (face-to-face, integration

  3. Several problems of algorithmization in integrated computation programs on third generation computers for short circuit currents in complex power networks

    Energy Technology Data Exchange (ETDEWEB)

    Krylov, V.A.; Pisarenko, V.P.

    1982-01-01

    Methods of modeling complex power networks with short circuits in the networks are described. The methods are implemented in integrated computation programs for short circuit currents and equivalents in electrical networks with a large number of branch points (up to 1000) on a computer with a limited on line memory capacity (M equals 4030 for the computer).

  4. Fully integrated digital GAMMA camera-computer system

    International Nuclear Information System (INIS)

    Berger, H.J.; Eisner, R.L.; Gober, A.; Plankey, M.; Fajman, W.

    1985-01-01

    Although most of the new non-nuclear imaging techniques are fully digital, there has been a reluctance in nuclear medicine to abandon traditional analog planar imaging in favor of digital acquisition and display. The authors evaluated a prototype digital camera system (GE STARCAM) in which all of the analog acquisition components are replaced by microprocessor controls and digital circuitry. To compare the relative effects of acquisition matrix size on image quality and to ascertain whether digital techniques could be used in place of analog imaging, Tc-99m bone scans were obtained on this digital system and on a comparable analog camera in 10 patients. The dedicated computer is used for camera setup including definition of the energy window, spatial energy correction, and spatial distortion correction. The display monitor, which is used for patient positioning and image analysis, is 512/sup 2/ non-interlaced, allowing high resolution imaging. Data acquisition and processing can be performed simultaneously. Thus, the development of a fully integrated digital camera-computer system with optimized display should allow routine utilization of non-analog studies in nuclear medicine and the ultimate establishment of fully digital nuclear imaging laboratories

  5. An integrated computer design environment for the development of micro-computer critical software

    International Nuclear Information System (INIS)

    De Agostino, E.; Massari, V.

    1986-01-01

    The paper deals with the development of micro-computer software for Nuclear Safety System. More specifically, it describes an experimental work in the field of software development methodologies to be used for the implementation of micro-computer based safety systems. An investigation of technological improvements that are provided by state-of-the-art integrated packages for micro-based systems development has been carried out. The work has aimed to assess a suitable automated tools environment for the whole software life-cycle. The main safety functions, as DNBR, KW/FT, of a nuclear power reactor have been implemented in a host-target approach. A prototype test-bed microsystem has been implemented to run the safety functions in order to derive a concrete evaluation on the feasibility of critical software according to new technological trends of ''Software Factories''. (author)

  6. Integrated severe accident containment analysis with the CONTAIN computer code

    International Nuclear Information System (INIS)

    Bergeron, K.D.; Williams, D.C.; Rexroth, P.E.; Tills, J.L.

    1985-12-01

    Analysis of physical and radiological conditions iunside the containment building during a severe (core-melt) nuclear reactor accident requires quantitative evaluation of numerous highly disparate yet coupled phenomenologies. These include two-phase thermodynamics and thermal-hydraulics, aerosol physics, fission product phenomena, core-concrete interactions, the formation and combustion of flammable gases, and performance of engineered safety features. In the past, this complexity has meant that a complete containment analysis would require application of suites of separate computer codes each of which would treat only a narrower subset of these phenomena, e.g., a thermal-hydraulics code, an aerosol code, a core-concrete interaction code, etc. In this paper, we describe the development and some recent applications of the CONTAIN code, which offers an integrated treatment of the dominant containment phenomena and the interactions among them. We describe the results of a series of containment phenomenology studies, based upon realistic accident sequence analyses in actual plants. These calculations highlight various phenomenological effects that have potentially important implications for source term and/or containment loading issues, and which are difficult or impossible to treat using a less integrated code suite

  7. Safety integrity requirements for computer based I ampersand C systems

    International Nuclear Information System (INIS)

    Thuy, N.N.Q.; Ficheux-Vapne, F.

    1997-01-01

    In order to take into account increasingly demanding functional requirements, many instrumentation and control (I ampersand C) systems in nuclear power plants are implemented with computers. In order to ensure the required safety integrity of such equipment, i.e., to ensure that they satisfactorily perform the required safety functions under all stated conditions and within stated periods of time, requirements applicable to these equipment and to their life cycle need to be expressed and followed. On the other hand, the experience of the last years has led EDF (Electricite de France) and its partners to consider three classes of systems and equipment, according to their importance to safety. In the EPR project (European Pressurized water Reactor), these classes are labeled E1A, E1B and E2. The objective of this paper is to present the outline of the work currently done in the framework of the ETC-I (EPR Technical Code for I ampersand C) regarding safety integrity requirements applicable to each of the three classes. 4 refs., 2 figs

  8. Mixed Waste Treatment Project: Computer simulations of integrated flowsheets

    International Nuclear Information System (INIS)

    Dietsche, L.J.

    1993-12-01

    The disposal of mixed waste, that is waste containing both hazardous and radioactive components, is a challenging waste management problem of particular concern to DOE sites throughout the United States. Traditional technologies used for the destruction of hazardous wastes need to be re-evaluated for their ability to handle mixed wastes, and in some cases new technologies need to be developed. The Mixed Waste Treatment Project (MWTP) was set up by DOE's Waste Operations Program (EM30) to provide guidance on mixed waste treatment options. One of MWTP's charters is to develop flowsheets for prototype integrated mixed waste treatment facilities which can serve as models for sites developing their own treatment strategies. Evaluation of these flowsheets is being facilitated through the use of computer modelling. The objective of the flowsheet simulations is to provide mass and energy balances, product compositions, and equipment sizing (leading to cost) information. The modelled flowsheets need to be easily modified to examine how alternative technologies and varying feed streams effect the overall integrated process. One such commercially available simulation program is ASPEN PLUS. This report contains details of the Aspen Plus program

  9. A Tractable Disequilbrium Framework for Integrating Computational Thermodynamics and Geodynamics

    Science.gov (United States)

    Spiegelman, M. W.; Tweed, L. E. L.; Evans, O.; Kelemen, P. B.; Wilson, C. R.

    2017-12-01

    The consistent integration of computational thermodynamics and geodynamics is essential for exploring and understanding a wide range of processes from high-PT magma dynamics in the convecting mantle to low-PT reactive alteration of the brittle crust. Nevertheless, considerable challenges remain for coupling thermodynamics and fluid-solid mechanics within computationally tractable and insightful models. Here we report on a new effort, part of the ENKI project, that provides a roadmap for developing flexible geodynamic models of varying complexity that are thermodynamically consistent with established thermodynamic models. The basic theory is derived from the disequilibrium thermodynamics of De Groot and Mazur (1984), similar to Rudge et. al (2011, GJI), but extends that theory to include more general rheologies, multiple solid (and liquid) phases and explicit chemical reactions to describe interphase exchange. Specifying stoichiometric reactions clearly defines the compositions of reactants and products and allows the affinity of each reaction (A = -Δ/Gr) to be used as a scalar measure of disequilibrium. This approach only requires thermodynamic models to return chemical potentials of all components and phases (as well as thermodynamic quantities for each phase e.g. densities, heat capacity, entropies), but is not constrained to be in thermodynamic equilibrium. Allowing meta-stable phases mitigates some of the computational issues involved with the introduction and exhaustion of phases. Nevertheless, for closed systems, these problems are guaranteed to evolve to the same equilibria predicted by equilibrium thermodynamics. Here we illustrate the behavior of this theory for a range of simple problems (constructed with our open-source model builder TerraFERMA) that model poro-viscous behavior in the well understood Fo-Fa binary phase loop. Other contributions in this session will explore a range of models with more petrologically interesting phase diagrams as well as

  10. Integrating Phase-Change Materials into Automotive Thermoelectric Generators

    Science.gov (United States)

    Klein Altstedde, Mirko; Rinderknecht, Frank; Friedrich, Horst

    2014-06-01

    Because the heat emitted by conventional combustion-engine vehicles during operation has highly transient properties, automotive thermoelectric generators (TEG) are intended for a particular operating state (design point). This, however, leads to two problems. First, whenever the combustion engine runs at low load, the maximum operating temperature cannot be properly utilised; second, a combustion engine at high load requires partial diversion of exhaust gas away from the TEG to protect the thermoelectric modules. An attractive means of stabilising dynamic exhaust behaviour (thereby keeping the TEG operating status at the design point for as long as possible) is use of latent heat storage, also known as phase-change materials (PCM). By positioning PCM between module and exhaust heat conduit, and choosing a material with a phase-change temperature matching the module's optimum operating temperature, it can be used as heat storage. This paper presents results obtained during examination of the effect of integration of latent heat storage on the potential of automotive TEG to convert exhaust heat. The research resulted in the development of a concept based on the initial integration idea, followed by proof of concept by use of a specially created prototype. In addition, the potential amount of energy obtained by use of a PCM-equipped TEG was calculated. The simulations indicated a significant increase in electrical energy was obtained in the selected test cycle.

  11. Computational analysis of battery optimized reactor integral system

    International Nuclear Information System (INIS)

    Hwang, J. S.; Son, H. M.; Jeong, W. S.; Kim, T. W.; Suh, K. Y.

    2007-01-01

    Battery Optimized Reactor Integral System (BORIS) is being developed as a multi-purpose fast spectrum reactor cooled by lead (Pb). BORIS is an integral optimized reactor with an ultra-long life core. BORIS aims to satisfy various energy demands maintaining inherent safety with the primary coolant Pb, and improving economics. BORIS is being designed to generate 23 MW t h with 10 MW e for at least twenty consecutive years without refueling and to meet the Generation IV Nuclear Energy System goals of sustainability, safety, reliability, and economics. BORIS is conceptualized to be used as the main power and heat source for remote areas and barren lands, and also considered to be deployed for desalinisation purpose. BORIS, based on modular components to be viable for rapid construction and easy maintenance, adopts an integrated heat exchanger system operated by natural circulation of Pb without pumps to realize a small sized reactor. The BORIS primary system is designed through an optimization study. Thermal hydraulic characteristics during a reactor steady state with heat source and sink by core and heat exchanger, respectively, have been carried out by utilizing a computational fluid dynamics code and hand calculations based on first principles. This paper analyzes a transient condition of the BORIS primary system. The Pb coolant was selected for its lower chemical activity with air or water than sodium (Na) and good thermal characteristics. The reactor transient conditions such as core blockage, heat exchanger failure, and loss of heat sink, were selected for this study. Blockage in the core or its inlet structure causes localized flow starvation in one or several fuel assemblies. The coolant loop blockages cause a more or less uniform flow reduction across the core, which may trigger coolant temperature transient. General conservation equations were applied to model the primary system transients. Numerical approaches were adopted to discretized the governing

  12. A computer program for controlling a university radioactive material inventory: From confusion to computer to control

    International Nuclear Information System (INIS)

    Robb, D.B.; Riches, C.G.; O'Brian, M.J.; Riordan, F.J.

    1984-01-01

    The University of Washington is a large user of radioactive material. Over 250 authorized programs are working in over 600 labs with nearly 3500 orders of radioactive material per year. The state license sets limits on the total amount of material on campus. There are also limits on sewer disposal. To meet these needs it is necessary to know the amount of material on campus at any time. A computer program was developed which covered many aspects of the radiation safety record needs including inventory control. Inventory is now managed by tracking each order from purchase to disposal. A screen menu as part of the interactive program allows immediate and detailed information about the inventory at time of purchase approval and delivery. Because of this system our knowledge and control of radionuclide work on campus has increased dramatically. A description of how this system is used during ordering, delivery and disposal will be given. Details on the methods to check limits are included along with a summary of the reports made possible by the current data files

  13. Development of an integrated system for nuclear material accountancy and control at JAERI

    International Nuclear Information System (INIS)

    Nishimura, Hideo; Nishizawa, Satoshi

    1993-01-01

    This paper describes the design concept and the current status of an integrated system for nuclear material accountancy and control, which is under development at JAERI. We, at JAERI, have decided to update the current system for material accountancy and control and to develop the integrated new system with a consolidated data base in order to augment transparency, credibility and promptness of the system, to materialize a prudent control of obligations required by bilateral nuclear cooperation agreements, and to give information for the physical protection, safely handling, property control and cost-effective use of nuclear material and for public relations. The system is composed of two work-stations operated by UNIX, one for implementation and the other for development, and many terminals located at the headquarters, administrative offices, and research facilities and laboratories. It is connected with a mainframe computer. There are many files on the data base to record inventory changes, book and physical inventories, and statistics on material balances. These files are controlled by a commercial data base management system which enables us to make access to data on the files with a simple query language, spread sheet type software or an application program. (author)

  14. Corporate Disclosure, Materiality, and Integrated Report: An Event Study Analysis

    Directory of Open Access Journals (Sweden)

    Maria Cleofe Giorgino

    2017-11-01

    Full Text Available Within the extensive literature investigating the impacts of corporate disclosure in supporting the sustainable growth of an organization, few studies have included in the analysis the materiality issue referred to the information being disclosed. This article aims to address this gap, exploring the effect produced on capital markets by the publication of a recent corporate reporting tool, Integrated Report (IR. The features of this tool are that it aims to represent the multidimensional impact of the organization’s activity and assumes materiality as a guiding principle of the report drafting. Adopting the event study methodology associated with a statistical significance test for categorical data, our results verify that an organization’s release of IR is able to produce a statistically significant impact on the related share prices. Moreover, the term “integrated” assigned to the reports plays a significant role in the impact on capital markets. Our findings have beneficial implications for both researchers and practitioners, adding new evidence for the IR usefulness as a corporate disclosure tool and the effect of an organization’s decision to disclose material information.

  15. INTEGRATED DEVELOPMENT OF CHEMICAL TEACHING MATERIALS ON MATERIAL BASED THERMOCHEMICAL SOFT SKILLS FOR VOCATIONAL STUDENTS

    Directory of Open Access Journals (Sweden)

    S. D. Purnawan

    2015-11-01

    Full Text Available Business and industrial field need workers who have not only good academic achievement but also the ability of hard skills and soft skills.  In order to prepare students who have a good academic skills, hard skills, soft skills it has to be done in all subjects including chemistry expertise to integrate the competencies of Motorcycle Engineering.  The research design uses One Group Pretest Posttest Design imposed on students in class XI SMK 1 Kedung TSM. Validator assessment results indicate that teaching materials developed very feasible for use in learning chemistry.  The result show that the learning device by using the integrated chemistry materials can increase students understanding of the thermo chemistry material with the acquisition of N-gain is at 0.63 or in the medium category.  Group of high-achieving students have the score of N-gain of 0.65, while the medium-achieving students get 0.63 and low-achieving students get 0.61, all have medium category.  Percentage  of students who passes the mastery learning  if mastery learning (KKM > 75 or reach 87 %.  The percentage of students’ soft skills in at least good criteria is at 87.10 %.  Students gave positive responses  90.71 % towards the learning material that is developed.

  16. THE DEVELOPMENT OF AIR-THEME INTEGRATED SCIENCE TEACHING MATERIAL USING FOUR STEPS TEACHING MATERIAL DEVELOPMENT

    Directory of Open Access Journals (Sweden)

    A. Arifin

    2016-01-01

    Full Text Available The purposes of this study are to develop, to test the feasibility, to describe the characteristic, and to test the students understanding about integrated science teaching material about air using Four Steps Teaching Material Development (4S TMD. The Research and Development method was use to develop integrated science teaching materials which is involving  all science perspectives that are not presented in junior high school science book. The air theme was chosen in this study since it can be explained using biology, chemistry, physics, and earth and space science  perspectives. Development the teaching materials was consists of selection, structuring, characterization, and reduction didactic steps. Based on the of feasibility test results, the teaching material is qualified in content, presentation, language, and graphic feasibility aspects. The characteristic of this teaching material expose the closeness theme with student daily lifes and its compatibility with National Books Standard. Based on the understanding test results, the teaching material is qualified in understanding aspect with high category. It can be concluded that the teaching material qualified to be used as supplement teaching material of science learning.Penelitian ini bertujuan untuk mengembangkan, menguji kelayakan, memaparkan karakteristik, dan menguji keterpahaman bahan ajar IPA terpadu pada tema udara untuk siswa SMP kelas VII melalui Four Steps Teaching Material Development (4S TMD. Penelitian dengan metode Research and Development (R&D ini dilatar belakangi oleh tidak tersedianya bahan ajar IPA SMP yang disajikan secara terpadu melalui tema udara. Pengembangan bahan ajar IPA terpadu tema udara terdiri dari tahap seleksi, strukturisasi, karakterisasi dan reduksi didaktik. Berdasarkan uji kelayakan, bahan ajar telah memenuhi aspek kelayakan isi, kelayakan penyajian, kelayakan bahasa dan kelayakan kegrafikan. Karakteristik bahan ajar meliputi kedekatan tema bahan ajar

  17. 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

  18. Modular multiple sensors information management for computer-integrated surgery.

    Science.gov (United States)

    Vaccarella, Alberto; Enquobahrie, Andinet; Ferrigno, Giancarlo; Momi, Elena De

    2012-09-01

    In the past 20 years, technological advancements have modified the concept of modern operating rooms (ORs) with the introduction of computer-integrated surgery (CIS) systems, which promise to enhance the outcomes, safety and standardization of surgical procedures. With CIS, different types of sensor (mainly position-sensing devices, force sensors and intra-operative imaging devices) are widely used. Recently, the need for a combined use of different sensors raised issues related to synchronization and spatial consistency of data from different sources of information. In this study, we propose a centralized, multi-sensor management software architecture for a distributed CIS system, which addresses sensor information consistency in both space and time. The software was developed as a data server module in a client-server architecture, using two open-source software libraries: Image-Guided Surgery Toolkit (IGSTK) and OpenCV. The ROBOCAST project (FP7 ICT 215190), which aims at integrating robotic and navigation devices and technologies in order to improve the outcome of the surgical intervention, was used as the benchmark. An experimental protocol was designed in order to prove the feasibility of a centralized module for data acquisition and to test the application latency when dealing with optical and electromagnetic tracking systems and ultrasound (US) imaging devices. Our results show that a centralized approach is suitable for minimizing synchronization errors; latency in the client-server communication was estimated to be 2 ms (median value) for tracking systems and 40 ms (median value) for US images. The proposed centralized approach proved to be adequate for neurosurgery requirements. Latency introduced by the proposed architecture does not affect tracking system performance in terms of frame rate and limits US images frame rate at 25 fps, which is acceptable for providing visual feedback to the surgeon in the OR. Copyright © 2012 John Wiley & Sons, Ltd.

  19. Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

    Science.gov (United States)

    Liu, Xuan; Furrer, David; Kosters, Jared; Holmes, Jack

    2018-01-01

    Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost

  20. Integration of smart wearable mobile devices and cloud computing in South African healthcare

    CSIR Research Space (South Africa)

    Mvelase, PS

    2015-11-01

    Full Text Available Integration of Smart Wearable Mobile Devices and Cloud Computing in South African Healthcare Promise MVELASE, Zama DLAMINI, Angeline DLUDLA, Happy SITHOLE Abstract: The acceptance of cloud computing is increasing in a fast pace in distributed...

  1. The material politics of waste disposal - decentralization and integrated systems

    Directory of Open Access Journals (Sweden)

    Penelope Harvey

    2012-12-01

    Full Text Available This article and the previous «Convergence and divergence between the local and regional state around solid waste management. An unresolved problem in the Sacred Valley» from Teresa Tupayachi are published as complementary accounts on the management of solid waste in the Vilcanota Valley in Cusco. Penelope Harvey and Teresa Tupayachi worked together on this theme. The present article explores how discontinuities across diverse instances of the state are experienced and understood. Drawing from an ethnographic study of the Vilcanota Valley in Cusco, the article looks at the material politics of waste disposal in neoliberal times. Faced with the problem of how to dispose of solid waste, people from Cusco experience a lack of institutional responsibility and call for a stronger state presence. The article describes the efforts by technical experts to design integrated waste management systems that maximise the potential for re-cycling, minimise toxic contamination, and turn ‘rubbish’ into the altogether more economically lively category of ‘solid waste’. However while the financialization of waste might appear to offer an indisputable public good, efforts to instigate a viable waste disposal business in a decentralizing political space elicit deep social tensions and contradictions. The social discontinuities that decentralization supports disrupt ambitions for integrated solutions as local actors resist top-down models and look not just for alternative solutions, but alternative ways of framing the problem of urban waste, and by extension their relationship to the state.

  2. High-authority smart material integrated electric actuator

    Science.gov (United States)

    Weisensel, G. N.; Pierce, Thomas D.; Zunkel, Gary

    1997-05-01

    For many current applications, hydraulic power is still the preferred method of gaining mechanical advantage. However, in many of these applications, this power comes with the penalties of high weight, size, cost, and maintenance due to the system's distributed nature and redundancy requirements. A high authority smart material Integrated Electric Actuator (IEA) is a modular, self-contained linear motion device that is capable of producing dynamic output strokes similar to those of hydraulic actuators yet at significantly reduced weight and volume. It provides system simplification and miniaturization. This actuator concept has many innovative features, including a TERFENOL-D-based pump, TERFENOL-D- based active valves, control algorithms, a displacement amplification unit and integrated, unitized packaging. The IEA needs only electrical power and a control command signal as inputs to provide high authority, high response rate actuation. This approach is directly compatible with distributed control strategies. Aircraft control, automotive brakes and fuel injection, and fluid power delivery are just some examples of the IEA's pervasive applications in aerospace, defense and commercial systems.

  3. 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

  4. The Integrated Computational Environment for Airbreathing Hypersonic Flight Vehicle Modeling and Design Evaluation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — An integrated computational environment for multidisciplinary, physics-based simulation and analyses of airbreathing hypersonic flight vehicles will be developed....

  5. The Virtual Brain Integrates Computational Modeling and Multimodal Neuroimaging

    Science.gov (United States)

    Schirner, Michael; McIntosh, Anthony R.; Jirsa, Viktor K.

    2013-01-01

    Abstract Brain function is thought to emerge from the interactions among neuronal populations. Apart from traditional efforts to reproduce brain dynamics from the micro- to macroscopic scales, complementary approaches develop phenomenological models of lower complexity. Such macroscopic models typically generate only a few selected—ideally functionally relevant—aspects of the brain dynamics. Importantly, they often allow an understanding of the underlying mechanisms beyond computational reproduction. Adding detail to these models will widen their ability to reproduce a broader range of dynamic features of the brain. For instance, such models allow for the exploration of consequences of focal and distributed pathological changes in the system, enabling us to identify and develop approaches to counteract those unfavorable processes. Toward this end, The Virtual Brain (TVB) (www.thevirtualbrain.org), a neuroinformatics platform with a brain simulator that incorporates a range of neuronal models and dynamics at its core, has been developed. This integrated framework allows the model-based simulation, analysis, and inference of neurophysiological mechanisms over several brain scales that underlie the generation of macroscopic neuroimaging signals. In this article, we describe how TVB works, and we present the first proof of concept. PMID:23442172

  6. Integrated modeling tool for performance engineering of complex computer systems

    Science.gov (United States)

    Wright, Gary; Ball, Duane; Hoyt, Susan; Steele, Oscar

    1989-01-01

    This report summarizes Advanced System Technologies' accomplishments on the Phase 2 SBIR contract NAS7-995. The technical objectives of the report are: (1) to develop an evaluation version of a graphical, integrated modeling language according to the specification resulting from the Phase 2 research; and (2) to determine the degree to which the language meets its objectives by evaluating ease of use, utility of two sets of performance predictions, and the power of the language constructs. The technical approach followed to meet these objectives was to design, develop, and test an evaluation prototype of a graphical, performance prediction tool. The utility of the prototype was then evaluated by applying it to a variety of test cases found in the literature and in AST case histories. Numerous models were constructed and successfully tested. The major conclusion of this Phase 2 SBIR research and development effort is that complex, real-time computer systems can be specified in a non-procedural manner using combinations of icons, windows, menus, and dialogs. Such a specification technique provides an interface that system designers and architects find natural and easy to use. In addition, PEDESTAL's multiview approach provides system engineers with the capability to perform the trade-offs necessary to produce a design that meets timing performance requirements. Sample system designs analyzed during the development effort showed that models could be constructed in a fraction of the time required by non-visual system design capture tools.

  7. An Integrated Review of Emoticons in Computer-Mediated Communication.

    Science.gov (United States)

    Aldunate, Nerea; González-Ibáñez, Roberto

    2016-01-01

    Facial expressions constitute a rich source of non-verbal cues in face-to-face communication. They provide interlocutors with resources to express and interpret verbal messages, which may affect their cognitive and emotional processing. Contrarily, computer-mediated communication (CMC), particularly text-based communication, is limited to the use of symbols to convey a message, where facial expressions cannot be transmitted naturally. In this scenario, people use emoticons as paralinguistic cues to convey emotional meaning. Research has shown that emoticons contribute to a greater social presence as a result of the enrichment of text-based communication channels. Additionally, emoticons constitute a valuable resource for language comprehension by providing expressivity to text messages. The latter findings have been supported by studies in neuroscience showing that particular brain regions involved in emotional processing are also activated when people are exposed to emoticons. To reach an integrated understanding of the influence of emoticons in human communication on both socio-cognitive and neural levels, we review the literature on emoticons in three different areas. First, we present relevant literature on emoticons in CMC. Second, we study the influence of emoticons in language comprehension. Finally, we show the incipient research in neuroscience on this topic. This mini review reveals that, while there are plenty of studies on the influence of emoticons in communication from a social psychology perspective, little is known about the neurocognitive basis of the effects of emoticons on communication dynamics.

  8. Computational Nanotechnology of Molecular Materials, Electronics, and Actuators with Carbon Nanotubes and Fullerenes

    Science.gov (United States)

    Srivastava, Deepak; Menon, Madhu; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)

    2001-01-01

    The role of computational nanotechnology in developing next generation of multifunctional materials, molecular scale electronic and computing devices, sensors, actuators, and machines is described through a brief review of enabling computational techniques and few recent examples derived from computer simulations of carbon nanotube based molecular nanotechnology.

  9. International Conference: Computer-Aided Design of High-Temperature Materials

    National Research Council Canada - National Science Library

    Kalia, Rajiv

    1998-01-01

    .... The conference was attended by experimental and computational materials scientists, and experts in high performance computing and communications from universities, government laboratories, and industries in the U.S., Europe, and Japan...

  10. Integrated software package for nuclear material safeguards in a MOX fuel fabrication facility

    International Nuclear Information System (INIS)

    Schreiber, H.J.; Piana, M.; Moussalli, G.; Saukkonen, H.

    2000-01-01

    Since computerized data processing was introduced to Safeguards at large bulk handling facilities, a large number of individual software applications have been developed for nuclear material Safeguards implementation. Facility inventory and flow data are provided in computerized format for performing stratification, sample size calculation and selection of samples for destructive and non-destructive assay. Data is collected from nuclear measurement systems running in attended, unattended mode and more recently from remote monitoring systems controlled. Data sets from various sources have to be evaluated for Safeguards purposes, such as raw data, processed data and conclusions drawn from data evaluation results. They are reported in computerized format at the International Atomic Energy Agency headquarters and feedback from the Agency's mainframe computer system is used to prepare and support Safeguards inspection activities. The integration of all such data originating from various sources cannot be ensured without the existence of a common data format and a database system. This paper describes the fundamental relations between data streams, individual data processing tools, data evaluation results and requirements for an integrated software solution to facilitate nuclear material Safeguards at a bulk handling facility. The paper also explains the basis for designing a software package to manage data streams from various data sources and for incorporating diverse data processing tools that until now have been used independently from each other and under different computer operating systems. (author)

  11. A systematic concept of assuring structural integrity of components and parts for applying to highly ductile materials through brittle material

    International Nuclear Information System (INIS)

    Suzuki, Kazuhiko

    2007-09-01

    Concepts of assuring structural integrity of plant components have been developed under limited conditions of either highly ductile or brittle materials. There are some cases where operation in more and more severe conditions causes a significant reduction in ductility for materials with a high ductility before service. Use of high strength steels with relatively reduced ductility is increasing as industry applications. Current concepts of structural integrity assurance under the limited conditions of material properties or on the requirement of no significant changes in material properties even after long service will fail to incorporate expected technological innovations. A systematic concept of assuring the structural integrity should be developed for applying to highly ductile materials through brittle materials. Objectives of the on-going research are to propose a detail of the systematic concept by considering how we can develop the concept without restricting materials and for systematic considerations on a broad range of material properties from highly ductile materials through brittle materials. First, background of concepts of existing structural codes for components of highly ductile materials or for structural parts of brittle materials are discussed. Next, issues of existing code for parts of brittle materials are identified, and then resolutions to the issues are proposed. Based on the above-mentioned discussions and proposals, a systematic concept is proposed for application to components with reduced ductility materials and for applying to components of materials with significantly changing material properties due to long service. (author)

  12. The use of computers in a materials science laboratory

    Science.gov (United States)

    Neville, J. P.

    1990-01-01

    The objective is to make available a method of easily recording the microstructure of a sample by means of a computer. The method requires a minimum investment and little or no instruction on the operation of a computer. An outline of the setup involving a black and white TV camera, a digitizer control box, a metallurgical microscope and a computer screen, printer, and keyboard is shown.

  13. 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

  14. Human Computation An Integrated Approach to Learning from the Crowd

    CERN Document Server

    Law, Edith

    2011-01-01

    Human computation is a new and evolving research area that centers around harnessing human intelligence to solve computational problems that are beyond the scope of existing Artificial Intelligence (AI) algorithms. With the growth of the Web, human computation systems can now leverage the abilities of an unprecedented number of people via the Web to perform complex computation. There are various genres of human computation applications that exist today. Games with a purpose (e.g., the ESP Game) specifically target online gamers who generate useful data (e.g., image tags) while playing an enjoy

  15. Airborne gravimetry used in precise geoid computations by ring integration

    DEFF Research Database (Denmark)

    Kearsley, A.H.W.; Forsberg, René; Olesen, Arne Vestergaard

    1998-01-01

    Two detailed geoids have been computed in the region of North Jutland. The first computation used marine data in the offshore areas. For the second computation the marine data set was replaced by the sparser airborne gravity data resulting from the AG-MASCO campaign of September 1996. The results...... of comparisons of the geoid heights at on-shore geometric control showed that the geoid heights computed from the airborne gravity data matched in precision those computed using the marine data, supporting the view that airborne techniques have enormous potential for mapping those unsurveyed areas between...

  16. Computational methods for 2D materials: discovery, property characterization, and application design.

    Science.gov (United States)

    Paul, J T; Singh, A K; Dong, Z; Zhuang, H; Revard, B C; Rijal, B; Ashton, M; Linscheid, A; Blonsky, M; Gluhovic, D; Guo, J; Hennig, R G

    2017-11-29

    The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials' electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

  17. Computation of Thermodynamic Equilibria Pertinent to Nuclear Materials in Multi-Physics Codes

    Science.gov (United States)

    Piro, Markus Hans Alexander

    Nuclear energy plays a vital role in supporting electrical needs and fulfilling commitments to reduce greenhouse gas emissions. Research is a continuing necessity to improve the predictive capabilities of fuel behaviour in order to reduce costs and to meet increasingly stringent safety requirements by the regulator. Moreover, a renewed interest in nuclear energy has given rise to a "nuclear renaissance" and the necessity to design the next generation of reactors. In support of this goal, significant research efforts have been dedicated to the advancement of numerical modelling and computational tools in simulating various physical and chemical phenomena associated with nuclear fuel behaviour. This undertaking in effect is collecting the experience and observations of a past generation of nuclear engineers and scientists in a meaningful way for future design purposes. There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. A new equilibrium thermodynamic solver is being developed with this matter as a primary objective. This solver is intended to provide thermodynamic material properties and boundary conditions for continuum transport calculations. There are several concerns with the use of existing commercial thermodynamic codes: computational performance; limited capabilities in handling large multi-component systems of interest to the nuclear industry; convenient incorporation into other codes with quality assurance considerations; and, licensing entanglements associated with code distribution. The development of this software in this research is aimed at addressing all of these concerns. The approach taken in this work exploits fundamental principles of equilibrium thermodynamics to simplify the numerical optimization equations. In brief, the chemical potentials of all species and phases in the system are constrained by estimates of the chemical potentials of the system

  18. National Ignition Facility system design requirements NIF integrated computer controls SDR004

    International Nuclear Information System (INIS)

    Bliss, E.

    1996-01-01

    This System Design Requirement document establishes the performance, design, development, and test requirements for the NIF Integrated Computer Control System. The Integrated Computer Control System (ICCS) is covered in NIF WBS element 1.5. This document responds directly to the requirements detailed in the NIF Functional Requirements/Primary Criteria, and is supported by subsystem design requirements documents for each major ICCS Subsystem

  19. Novel Plasmonic Materials and Nanodevices for Integrated Quantum Photonics

    Science.gov (United States)

    Shalaginov, Mikhail Y.

    Light-matter interaction is the foundation for numerous important quantum optical phenomena, which may be harnessed to build practical devices with higher efficiency and unprecedented functionality. Nanoscale engineering is seen as a fruitful avenue to significantly strengthen light-matter interaction and also make quantum optical systems ultra-compact, scalable, and energy efficient. This research focuses on color centers in diamond that share quantum properties with single atoms. These systems promise a path for the realization of practical quantum devices such as nanoscale sensors, single-photon sources, and quantum memories. In particular, we explored an intriguing methodology of utilizing nanophotonic structures, such as hyperbolic metamaterials, nanoantennae, and plasmonic waveguides, to improve the color centers performance. We observed enhancement in the color center's spontaneous emission rate, emission directionality, and cooperativity over a broad optical frequency range. Additionally, we studied the effect of plasmonic environments on the spin-readout sensitivity of color centers. The use of CMOS-compatible epitaxially grown plasmonic materials in the design of these nanophotonic structures promises a new level of performance for a variety of integrated room-temperature quantum devices based on diamond color centers.

  20. Use of computed tomography in nondestructive testing of polymeric materials

    International Nuclear Information System (INIS)

    Persson, S.; Oestman, E.

    1985-01-01

    Computed tomography has been used to detect imperfections and to measure cross-link density gradients in polymeric products, such as airplane tires, rubber shock absorbers, and filament-wound high-pressure tanks

  1. Concept of development of integrated computer - based control system for 'Ukryttia' object

    International Nuclear Information System (INIS)

    Buyal'skij, V.M.; Maslov, V.P.

    2003-01-01

    The structural concept of Chernobyl NPP 'Ukryttia' Object's integrated computer - based control system development is presented on the basis of general concept of integrated Computer - based Control System (CCS) design process for organizing and technical management subjects.The concept is aimed at state-of-the-art architectural design technique application and allows using modern computer-aided facilities for functional model,information (logical and physical) models development,as well as for system object model under design

  2. Unstructured Computational Aerodynamics on Many Integrated Core Architecture

    KAUST Repository

    Al Farhan, Mohammed A.

    2016-06-08

    Shared memory parallelization of the flux kernel of PETSc-FUN3D, an unstructured tetrahedral mesh Euler flow code previously studied for distributed memory and multi-core shared memory, is evaluated on up to 61 cores per node and up to 4 threads per core. We explore several thread-level optimizations to improve flux kernel performance on the state-of-the-art many integrated core (MIC) Intel processor Xeon Phi “Knights Corner,” with a focus on strong thread scaling. While the linear algebraic kernel is bottlenecked by memory bandwidth for even modest numbers of cores sharing a common memory, the flux kernel, which arises in the control volume discretization of the conservation law residuals and in the formation of the preconditioner for the Jacobian by finite-differencing the conservation law residuals, is compute-intensive and is known to exploit effectively contemporary multi-core hardware. We extend study of the performance of the flux kernel to the Xeon Phi in three thread affinity modes, namely scatter, compact, and balanced, in both offload and native mode, with and without various code optimizations to improve alignment and reduce cache coherency penalties. Relative to baseline “out-of-the-box” optimized compilation, code restructuring optimizations provide about 3.8x speedup using the offload mode and about 5x speedup using the native mode. Even with these gains for the flux kernel, with respect to execution time the MIC simply achieves par with optimized compilation on a contemporary multi-core Intel CPU, the 16-core Sandy Bridge E5 2670. Nevertheless, the optimizations employed to reduce the data motion and cache coherency protocol penalties of the MIC are expected to be of value for CFD and many other unstructured applications as many-core architecture evolves. We explore large-scale distributed-shared memory performance on the Cray XC40 supercomputer, to demonstrate that optimizations employed on Phi hybridize to this context, where each of

  3. Unstructured Computational Aerodynamics on Many Integrated Core Architecture

    KAUST Repository

    Al Farhan, Mohammed A.; Kaushik, Dinesh K.; Keyes, David E.

    2016-01-01

    Shared memory parallelization of the flux kernel of PETSc-FUN3D, an unstructured tetrahedral mesh Euler flow code previously studied for distributed memory and multi-core shared memory, is evaluated on up to 61 cores per node and up to 4 threads per core. We explore several thread-level optimizations to improve flux kernel performance on the state-of-the-art many integrated core (MIC) Intel processor Xeon Phi “Knights Corner,” with a focus on strong thread scaling. While the linear algebraic kernel is bottlenecked by memory bandwidth for even modest numbers of cores sharing a common memory, the flux kernel, which arises in the control volume discretization of the conservation law residuals and in the formation of the preconditioner for the Jacobian by finite-differencing the conservation law residuals, is compute-intensive and is known to exploit effectively contemporary multi-core hardware. We extend study of the performance of the flux kernel to the Xeon Phi in three thread affinity modes, namely scatter, compact, and balanced, in both offload and native mode, with and without various code optimizations to improve alignment and reduce cache coherency penalties. Relative to baseline “out-of-the-box” optimized compilation, code restructuring optimizations provide about 3.8x speedup using the offload mode and about 5x speedup using the native mode. Even with these gains for the flux kernel, with respect to execution time the MIC simply achieves par with optimized compilation on a contemporary multi-core Intel CPU, the 16-core Sandy Bridge E5 2670. Nevertheless, the optimizations employed to reduce the data motion and cache coherency protocol penalties of the MIC are expected to be of value for CFD and many other unstructured applications as many-core architecture evolves. We explore large-scale distributed-shared memory performance on the Cray XC40 supercomputer, to demonstrate that optimizations employed on Phi hybridize to this context, where each of

  4. Integrating numerical computation into the undergraduate education physics curriculum using spreadsheet excel

    Science.gov (United States)

    Fauzi, Ahmad

    2017-11-01

    Numerical computation has many pedagogical advantages: it develops analytical skills and problem-solving skills, helps to learn through visualization, and enhances physics education. Unfortunately, numerical computation is not taught to undergraduate education physics students in Indonesia. Incorporate numerical computation into the undergraduate education physics curriculum presents many challenges. The main challenges are the dense curriculum that makes difficult to put new numerical computation course and most students have no programming experience. In this research, we used case study to review how to integrate numerical computation into undergraduate education physics curriculum. The participants of this research were 54 students of the fourth semester of physics education department. As a result, we concluded that numerical computation could be integrated into undergraduate education physics curriculum using spreadsheet excel combined with another course. The results of this research become complements of the study on how to integrate numerical computation in learning physics using spreadsheet excel.

  5. Computational methods assuring nuclear power plant structural integrity and safety: an overview of the recent activities at VTT

    International Nuclear Information System (INIS)

    Keinaenen, H.; Talja, H.; Rintamaa, R.

    1998-01-01

    Numerical, simplified engineering and standardised methods are applied in the safety analyses of primary circuit components and reactor pressure vessels. The integrity assessment procedures require input relating both to the steady state and transient loading actual material properties data and precise knowledge of the size and geometry of defects. Current procedures bold extensive information regarding these aspects. It is important to verify the accuracy of the different assessment methods especially in the case of complex structures and loading. The focus of this paper is on the recent results and development of computational fracture assessment methods at VTT Manufacturing Technology. The methods include effective engineering type tools for rapid structural integrity assessments and more sophisticated finite-element based methods. An integrated PC-based program system MASI for engineering fracture analysis is described. A summary of the verification of the methods in computational benchmark analyses and against the results of large scale experiments is presented. (orig.)

  6. Computational Design of New Materials for Ammonia Storage

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Quaade, Ulrich

    alkaline-earth mixture, Ba4CaSr3Cl16 wasidentified, and the predicted release was verified experimentally. The two bestfound candidates, Ca4Cu2Y2Cl16 and Sr4Cu2Y2Cl16, are examples of materials,one would not suggest using chemical intuition. This shows that thealgorithm is able to identify new materials...

  7. Computer information resources of inorganic chemistry and materials science

    Energy Technology Data Exchange (ETDEWEB)

    Kiselyova, N N; Dudarev, V A; Zemskov, V S [A.A.Baikov Institute of Metallurgy and Materials Science, Russian Academy of Sciences, Moscow (Russian Federation)

    2010-02-28

    Information systems used in inorganic chemistry and materials science are considered. The following basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.

  8. Composite materials with arbitrary geometry - computer analysis with MATMEC

    DEFF Research Database (Denmark)

    Nielsen, Lauge Fuglsang

    1999-01-01

    Text note for the Summer school on "Hydration and Microstructure of High Performance Concrete, held at Dept. Struct. Eng. and Materials, DTU.......Text note for the Summer school on "Hydration and Microstructure of High Performance Concrete, held at Dept. Struct. Eng. and Materials, DTU....

  9. Computer information resources of inorganic chemistry and materials science

    International Nuclear Information System (INIS)

    Kiselyova, N N; Dudarev, V A; Zemskov, V S

    2010-01-01

    Information systems used in inorganic chemistry and materials science are considered. The following basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.

  10. Cloud Computing: Should It Be Integrated into the Curriculum?

    Science.gov (United States)

    Changchit, Chuleeporn

    2015-01-01

    Cloud computing has become increasingly popular among users and businesses around the world, and education is no exception. Cloud computing can bring an increased number of benefits to an educational setting, not only for its cost effectiveness, but also for the thirst for technology that college students have today, which allows learning and…

  11. Integrating Human and Computer Intelligence. Technical Report No. 32.

    Science.gov (United States)

    Pea, Roy D.

    This paper explores the thesis that advances in computer applications and artificial intelligence have important implications for the study of development and learning in psychology. Current approaches to the use of computers as devices for problem solving, reasoning, and thinking--i.e., expert systems and intelligent tutoring systems--are…

  12. Gesture Recognition by Computer Vision : An Integral Approach

    NARCIS (Netherlands)

    Lichtenauer, J.F.

    2009-01-01

    The fundamental objective of this Ph.D. thesis is to gain more insight into what is involved in the practical application of a computer vision system, when the conditions of use cannot be controlled completely. The basic assumption is that research on isolated aspects of computer vision often leads

  13. Integration of distributed computing into the drug discovery process.

    Science.gov (United States)

    von Korff, Modest; Rufener, Christian; Stritt, Manuel; Freyss, Joel; Bär, Roman; Sander, Thomas

    2011-02-01

    Grid computing offers an opportunity to gain massive computing power at low costs. We give a short introduction into the drug discovery process and exemplify the use of grid computing for image processing, docking and 3D pharmacophore descriptor calculations. The principle of a grid and its architecture are briefly explained. More emphasis is laid on the issues related to a company-wide grid installation and embedding the grid into the research process. The future of grid computing in drug discovery is discussed in the expert opinion section. Most needed, besides reliable algorithms to predict compound properties, is embedding the grid seamlessly into the discovery process. User friendly access to powerful algorithms without any restrictions, that is, by a limited number of licenses, has to be the goal of grid computing in drug discovery.

  14. Challenges in computational materials science: Multiple scales, multi-physics and evolving discontinuities

    NARCIS (Netherlands)

    Borst, de R.

    2008-01-01

    Novel experimental possibilities together with improvements in computer hardware as well as new concepts in computational mathematics and mechanics in particular multiscale methods are now, in principle, making it possible to derive and compute phenomena and material parameters at a macroscopic

  15. Computation of Hopkins' 3-circle integrals using Zernike expansions

    NARCIS (Netherlands)

    Janssen, A.J.E.M.

    2011-01-01

    The integrals occurring in optical diffraction theory under conditions of partial coherence have the form of an incomplete autocorrelation integral of the pupil function of the optical system. The incompleteness is embodied by a spatial coherence function of limited extent. In the case of circular

  16. Integrated Visible Photonics for Trapped-Ion Quantum Computing

    Science.gov (United States)

    2017-06-10

    etch to provide a smooth oxide facet, and clearance for fiber positioning for edge input coupling. Integrated Visible Photonics for Trapped-Ion...capability to optically address individual ions at several wavelengths. We demonstrate a dual-layered silicon nitride photonic platform for integration...coherence times, strong coulomb interactions, and optical addressability, hold great promise for implementation of practical quantum information

  17. Virtual Welded-Joint Design Integrating Advanced Materials and Processing Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Z.; Dong, P.; Liu, S.; Babu, S.; Olson, G.; DebRoy, T.

    2005-04-15

    The primary goal of this project is to increase the fatigue life of a welded-joint by 10 times and to reduce energy use by 25% through product performance and productivity improvements using an integrated modeling approach. The fatigue strength of a welded-joint is currently the bottleneck to design high performance and lightweight welded structures using advanced materials such as high strength steels. In order to achieve high fatigue strength in a welded-joint it is necessary to manage the weld bead shape for lower stress concentration, produce preferable residual stress distribution, and obtain the desired microstructure for improved material toughness and strength. This is a systems challenge that requires the optimization of the welding process, the welding consumable, the base material, as well as the structure design. The concept of virtual welded-joint design has been proposed and established in this project. The goal of virtual welded-joint design is to develop a thorough procedure to predict the relationship of welding process, microstructure, property, residual stress, and the ultimate weld fatigue strength by a systematic modeling approach. The systematic approach combines five sub-models: weld thermal-fluid model, weld microstructure model, weld material property model, weld residual stress model, and weld fatigue model. The systematic approach is thus based on interdisciplinary applied sciences including heat transfer, computational fluid dynamics, materials science, engineering mechanics, and material fracture mechanics. The sub-models are based on existing models with further development. The results from modeling have been validated with critical experiments. The systematic modeling approach has been used to design high fatigue resistant welds considering the combined effects of weld bead geometry, residual stress, microstructure, and material property. In particular, a special welding wire has been developed in this project to introduce

  18. Integrated infrastructure initiatives for material testing reactor innovations

    International Nuclear Information System (INIS)

    Dekeyser, Jean; Vermeeren, Ludo; Iracane, Daniel

    2011-01-01

    Highlights: → The EU FP7 MTR+I3 project has initiated a durable cooperation between MTR operators. → Improvements in irradiation test device technology and instrumentation were achieved. → Professional training efforts were streamlined and best practices were exchanged. → A framework has been set up to coordinate and optimize the use of MTRs in the EU. - Abstract: The key goal of the European FP6 project MTR+I3 was to build a durable cooperation between Material Testing Reactor (MTR) operators and relevant laboratories that can maintain European leadership with updated capabilities and competences regarding reactor performances and irradiation technology. The MTR+I3 consortium was composed of 18 partners with a high level of expertise in irradiation-related services for all types of nuclear plants. This project covered activities that foster integration of the MTR community involved in designing, fabricating and operating irradiation devices through information exchange, know-how cross-fertilization, exchanges of interdisciplinary personnel, structuring of key-technology suppliers and professional training. The network produced best practice guidelines for selected irradiation activities. This project allowed to launch or to improve technical studies in various domains dealing with irradiation test device technology, experimental loop designs and instrumentation. Major results are illustrated in this paper. These concern in particular: on-line fuel power determination, neutron screen optimization, simulation of transmutation process, power transient systems, water chemistry and stress corrosion cracking, fission gas measurement, irradiation behaviour of electronic modules, mechanical loading under irradiation, high temperature gas loop technology, heavy liquid metal loop development and safety test instrumentation. One of the major benefits of this project is that, starting from a situation of fragmented resources in a strongly competitive sector, it has

  19. SIMIFR: A code to simulate material movement in the Integral Fast Reactor

    International Nuclear Information System (INIS)

    White, A.M.; Orechwa, Yuri.

    1991-01-01

    The SIMIFR code has been written to simulate the movement of material through a process. This code can be used to investigate inventory differences in material balances, assist in process design, and to produce operational scheduling. The particular process that is of concern to the authors is that centered around Argonne National Laboratory's Integral Fast Reactor. This is a process which involves the irradiation of fissile material for power production, and the recycling of the irradiated reactor fuel pins into fresh fuel elements. To adequately simulate this process it is necessary to allow for locations which can contain either discrete items or homogeneous mixtures. It is also necessary to allow for a very flexible process control algorithm. Further, the code must have the capability of transmuting isotopic compositions and computing internally the fraction of material from a process ending up in a given location. The SIMIFR code has been developed to perform all of these tasks. In addition to simulating the process, the code is capable of generating random measurement values and sampling errors for all locations, and of producing a restart deck so that terminated problems may be continued. In this paper the authors first familiarize the reader with the IFR fuel cycle. The different capabilities of the SIMIFR code are described. Finally, the simulation of the IFR fuel cycle using the SIMIFR code is discussed. 4 figs

  20. Integration of Geometrical and Material Nonlinear Energy Sink with Piezoelectric Material Energy Harvester

    Directory of Open Access Journals (Sweden)

    Ye-Wei Zhang

    2017-01-01

    Full Text Available This paper presents a novel design by integrating geometrical and material nonlinear energy sink (NES with a piezoelectric-based vibration energy harvester under shock excitation, which can realize vibration control and energy harvesting. The nonlinear spring and hysteresis behavior of the NES could reflect geometrical and material nonlinearity, respectively. Two configurations of the piezoelectric device, including the piezoelectric element embedded between the NES mass and the single-degree-of-freedom system or ground, are utilised to examine the energy dissipated by damper and hysteresis behavior of NES and the energy harvested by the piezoelectric element. Similar numerical research methods of Runge-Kutta algorithm are used to investigate the two configurations. The energy transaction measure (ETM is adopted to examine the instantaneous energy transaction between the primary and the NES-piezoelectricity system. And it demonstrates that the dissipated and harvested energy transaction is transferred from the primary system to the NES-piezoelectricity system and the instantaneous transaction of mechanical energy occupies a major part of the energy of transaction. Both figurations could realize vibration control efficiently.

  1. Integrating user studies into computer graphics-related courses.

    Science.gov (United States)

    Santos, B S; Dias, P; Silva, S; Ferreira, C; Madeira, J

    2011-01-01

    This paper presents computer graphics. Computer graphics and visualization are essentially about producing images for a target audience, be it the millions watching a new CG-animated movie or the small group of researchers trying to gain insight into the large amount of numerical data resulting from a scientific experiment. To ascertain the final images' effectiveness for their intended audience or the designed visualizations' accuracy and expressiveness, formal user studies are often essential. In human-computer interaction (HCI), such user studies play a similar fundamental role in evaluating the usability and applicability of interaction methods and metaphors for the various devices and software systems we use.

  2. Computational Screening of Materials for Water Splitting Applications

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio

    Design new materials for energy production in a photoelectrochemical cell, where water is split into hydrogen and oxygen by solar light, is one possible solution to the problem of increasing energy demand and storage. A screening procedure based on ab-initio density functional theory calculations...... Project database, which is based on the experimental ICSD database, and the bandgaps were calculated with focus on finding materials with potential as light harvesters. 24 materials have been proposed for the one-photon water splitting and 23 for the two-photon mechanism. Another method to obtain energy...... from Sun is using a photovoltaic cell that converts solar light into electricity. The absorption spectra of 70 experimentally known compounds, that are expected to be useful for light-to-electricity generation, have been calculated. 17 materials have been predicted to be promising for a single...

  3. Quantitative material decomposition using spectral computed tomography with an energy-resolved photon-counting detector

    International Nuclear Information System (INIS)

    Lee, Seungwan; Choi, Yu-Na; Kim, Hee-Joung

    2014-01-01

    Dual-energy computed tomography (CT) techniques have been used to decompose materials and characterize tissues according to their physical and chemical compositions. However, these techniques are hampered by the limitations of conventional x-ray detectors operated in charge integrating mode. Energy-resolved photon-counting detectors provide spectral information from polychromatic x-rays using multiple energy thresholds. These detectors allow simultaneous acquisition of data in different energy ranges without spectral overlap, resulting in more efficient material decomposition and quantification for dual-energy CT. In this study, a pre-reconstruction dual-energy CT technique based on volume conservation was proposed for three-material decomposition. The technique was combined with iterative reconstruction algorithms by using a ray-driven projector in order to improve the quality of decomposition images and reduce radiation dose. A spectral CT system equipped with a CZT-based photon-counting detector was used to implement the proposed dual-energy CT technique. We obtained dual-energy images of calibration and three-material phantoms consisting of low atomic number materials from the optimal energy bins determined by Monte Carlo simulations. The material decomposition process was accomplished by both the proposed and post-reconstruction dual-energy CT techniques. Linear regression and normalized root-mean-square error (NRMSE) analyses were performed to evaluate the quantitative accuracy of decomposition images. The calibration accuracy of the proposed dual-energy CT technique was higher than that of the post-reconstruction dual-energy CT technique, with fitted slopes of 0.97–1.01 and NRMSEs of 0.20–4.50% for all basis materials. In the three-material phantom study, the proposed dual-energy CT technique decreased the NRMSEs of measured volume fractions by factors of 0.17–0.28 compared to the post-reconstruction dual-energy CT technique. It was concluded that the

  4. A Scheme for Verification on Data Integrity in Mobile Multicloud Computing Environment

    Directory of Open Access Journals (Sweden)

    Laicheng Cao

    2016-01-01

    Full Text Available In order to verify the data integrity in mobile multicloud computing environment, a MMCDIV (mobile multicloud data integrity verification scheme is proposed. First, the computability and nondegeneracy of verification can be obtained by adopting BLS (Boneh-Lynn-Shacham short signature scheme. Second, communication overhead is reduced based on HVR (Homomorphic Verifiable Response with random masking and sMHT (sequence-enforced Merkle hash tree construction. Finally, considering the resource constraints of mobile devices, data integrity is verified by lightweight computing and low data transmission. The scheme improves shortage that mobile device communication and computing power are limited, it supports dynamic data operation in mobile multicloud environment, and data integrity can be verified without using direct source file block. Experimental results also demonstrate that this scheme can achieve a lower cost of computing and communications.

  5. Using computer technology to identify the appropriate radioactive materials packaging

    International Nuclear Information System (INIS)

    Driscoll, K.L.; Conan, M.R.

    1989-01-01

    The Radioactive Materials Packaging (RAMPAC) database is designed to store and retrieve information on all non-classified packages certified for the transport of radioactive materials within the boundaries of the US. The information in RAMPAC is publicly available, and the database has been designed so that individuals without programming experience can search for and retrieve information using a menu-driven system. RAMPAC currently contains information on over 650 radioactive material shipping packages. Information is gathered from the US Department of Energy (DOE), the US Department of transportation (DOT), and the US Nuclear Regulatory Commission (NRC). RAMPAC is the only tool available to radioactive material shippers that contains and reports packaging information from all three Federal Agencies. The DOT information includes package listings from Canada, France, Germany, Great Britain, and Japan, which have DOT revalidations for their certificates of competent authority and are authorized for use within the US for import and export shipments only. RAMPAC was originally developed in 1981 by DOE as a research and development tool. In recent years, however, RAMPAC has proven to be highly useful to operational personnel. As packages become obsolete or materials to be transported change, shippers of radioactive materials must be able to determine if alternative packages exist before designing new packages. RAMPAC is designed to minimize the time required to make this determination, thus assisting the operational community in meeting their goals

  6. Computational Quantum Mechanics for Materials Engineers The EMTO Method and Applications

    CERN Document Server

    Vitos, L

    2007-01-01

    Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern density functional methods means that today, computational quantum mechanics can help engineers to identify and develop novel materials. Computational Quantum Mechanics for Materials Engineers describes new approaches to the modelling of disordered alloys that combine the most efficient quantum-level th

  7. 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...

  8. Biomedical data integration in computational drug design and bioinformatics.

    Science.gov (United States)

    Seoane, Jose A; Aguiar-Pulido, Vanessa; Munteanu, Cristian R; Rivero, Daniel; Rabunal, Juan R; Dorado, Julian; Pazos, Alejandro

    2013-03-01

    In recent years, in the post genomic era, more and more data is being generated by biological high throughput technologies, such as proteomics and transcriptomics. This omics data can be very useful, but the real challenge is to analyze all this data, as a whole, after integrating it. Biomedical data integration enables making queries to different, heterogeneous and distributed biomedical data sources. Data integration solutions can be very useful not only in the context of drug design, but also in biomedical information retrieval, clinical diagnosis, system biology, etc. In this review, we analyze the most common approaches to biomedical data integration, such as federated databases, data warehousing, multi-agent systems and semantic technology, as well as the solutions developed using these approaches in the past few years.

  9. Advanced computer algebra algorithms for the expansion of Feynman integrals

    International Nuclear Information System (INIS)

    Ablinger, Jakob; Round, Mark; Schneider, Carsten

    2012-10-01

    Two-point Feynman parameter integrals, with at most one mass and containing local operator insertions in 4+ε-dimensional Minkowski space, can be transformed to multi-integrals or multi-sums over hyperexponential and/or hypergeometric functions depending on a discrete parameter n. Given such a specific representation, we utilize an enhanced version of the multivariate Almkvist-Zeilberger algorithm (for multi-integrals) and a common summation framework of the holonomic and difference field approach (for multi-sums) to calculate recurrence relations in n. Finally, solving the recurrence we can decide efficiently if the first coefficients of the Laurent series expansion of a given Feynman integral can be expressed in terms of indefinite nested sums and products; if yes, the all n solution is returned in compact representations, i.e., no algebraic relations exist among the occurring sums and products.

  10. Advanced computer algebra algorithms for the expansion of Feynman integrals

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, Jakob; Round, Mark; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Bluemlein, Johannes [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

    2012-10-15

    Two-point Feynman parameter integrals, with at most one mass and containing local operator insertions in 4+{epsilon}-dimensional Minkowski space, can be transformed to multi-integrals or multi-sums over hyperexponential and/or hypergeometric functions depending on a discrete parameter n. Given such a specific representation, we utilize an enhanced version of the multivariate Almkvist-Zeilberger algorithm (for multi-integrals) and a common summation framework of the holonomic and difference field approach (for multi-sums) to calculate recurrence relations in n. Finally, solving the recurrence we can decide efficiently if the first coefficients of the Laurent series expansion of a given Feynman integral can be expressed in terms of indefinite nested sums and products; if yes, the all n solution is returned in compact representations, i.e., no algebraic relations exist among the occurring sums and products.

  11. Mechanical behavior of nanotwinned materials – experimental and computational approaches

    Energy Technology Data Exchange (ETDEWEB)

    Yavas, Hakan [Iowa State Univ., Ames, IA (United States)

    2016-12-17

    Nanotwinned materials exhibit high strength combined with excellent thermal stability, making them potentially attractive for numerous applications. When deposited on cold substrates at high rates, for example, silver films can be prepared with a high-density of growth twins with an average twin boundary spacing of less than 10 nm. These films show a very strong {111} texture, with the twin boundaries being perpendicular to the growth direction. The origins of superior mechanical and thermal properties of nanotwinned materials, however, are not yet fully understood and need further improvements.

  12. Application of computer simulation in the stereology of materials

    Czech Academy of Sciences Publication Activity Database

    Saxl, Ivan; Ponížil, P.; Löflerová, M.

    2009-01-01

    Roč. 4, č. 2 (2009), s. 231-249 ISSN 1741-8410 R&D Projects: GA ČR GA201/06/0302 Grant - others:GA ČR(CZ) GA106/05/0550 Institutional research plan: CEZ:AV0Z10190503 Keywords : 3D computer simulation * fibre anisotropy * fracture surface * grain size estimation * random tessellation * rough surface analysis * fibre processes Subject RIV: BA - General Mathematics

  13. Computation of thermodynamic equilibria of nuclear materials in multi-physics codes

    International Nuclear Information System (INIS)

    Piro, M.H.; Lewis, B.J.; Thompson, W.T.; Simunovic, S.; Besmann, T.M.

    2011-01-01

    A new equilibrium thermodynamic solver is being developed with the primary impetus of direct integration into nuclear fuel performance and safety codes to provide improved predictions of fuel behavior. This solver is intended to provide boundary conditions and material properties for continuum transport calculations. There are several legitimate concerns with the use of existing commercial thermodynamic codes: 1) licensing entanglements associated with code distribution, 2) computational performance, and 3) limited capabilities of handling large multi-component systems of interest to the nuclear industry. The development of this solver is specifically aimed at addressing these concerns. In support of this goal, a new numerical algorithm for computing chemical equilibria is presented which is not based on the traditional steepest descent method or 'Gibbs energy minimization' technique. This new approach exploits fundamental principles of equilibrium thermodynamics, which simplifies the optimization equations. The chemical potentials of all species and phases in the system are constrained by the system chemical potentials, and the objective is to minimize the residuals of the mass balance equations. Several numerical advantages are achieved through this simplification, as described in this paper. (author)

  14. Computational screening of organic materials towards improved photovoltaic properties

    Science.gov (United States)

    Dai, Shuo; Olivares-Amaya, Roberto; Amador-Bedolla, Carlos; Aspuru-Guzik, Alan; Borunda, Mario

    2015-03-01

    The world today faces an energy crisis that is an obstruction to the development of the human civilization. One of the most promising solutions is solar energy harvested by economical solar cells. Being the third generation of solar cell materials, organic photovoltaic (OPV) materials is now under active development from both theoretical and experimental points of view. In this study, we constructed a parameter to select the desired molecules based on their optical spectra performance. We applied it to investigate a large collection of potential OPV materials, which were from the CEPDB database set up by the Harvard Clean Energy Project. Time dependent density functional theory (TD-DFT) modeling was used to calculate the absorption spectra of the molecules. Then based on the parameter, we screened out the top performing molecules for their potential OPV usage and suggested experimental efforts toward their synthesis. In addition, from those molecules, we summarized the functional groups that provided molecules certain spectrum capability. It is hoped that useful information could be mined out to provide hints to molecular design of OPV materials.

  15. An integrative computational modelling of music structure apprehension

    DEFF Research Database (Denmark)

    Lartillot, Olivier

    2014-01-01

    , the computational model, by virtue of its generality, extensiveness and operationality, is suggested as a blueprint for the establishment of cognitively validated model of music structure apprehension. Available as a Matlab module, it can be used for practical musicological uses.......An objectivization of music analysis requires a detailed formalization of the underlying principles and methods. The formalization of the most elementary structural processes is hindered by the complexity of music, both in terms of profusions of entities (such as notes) and of tight interactions...... between a large number of dimensions. Computational modeling would enable systematic and exhaustive tests on sizeable pieces of music, yet current researches cover particular musical dimensions with limited success. The aim of this research is to conceive a computational modeling of music analysis...

  16. Computational design of surfaces, nanostructures and optoelectronic materials

    Science.gov (United States)

    Choudhary, Kamal

    Properties of engineering materials are generally influenced by defects such as point defects (vacancies, interstitials, substitutional defects), line defects (dislocations), planar defects (grain boundaries, free surfaces/nanostructures, interfaces, stacking faults) and volume defects (voids). Classical physics based molecular dynamics and quantum physics based density functional theory can be useful in designing materials with controlled defect properties. In this thesis, empirical potential based molecular dynamics was used to study the surface modification of polymers due to energetic polyatomic ion, thermodynamics and mechanics of metal-ceramic interfaces and nanostructures, while density functional theory was used to screen substituents in optoelectronic materials. Firstly, polyatomic ion-beams were deposited on polymer surfaces and the resulting chemical modifications of the surface were examined. In particular, S, SC and SH were deposited on amorphous polystyrene (PS), and C2H, CH3, and C3H5 were deposited on amorphous poly (methyl methacrylate) (PMMA) using molecular dynamics simulations with classical reactive empirical many-body (REBO) potentials. The objective of this work was to elucidate the mechanisms by which the polymer surface modification took place. The results of the work could be used in tailoring the incident energy and/or constituents of ion beam for obtaining a particular chemistry inside the polymer surface. Secondly, a new Al-O-N empirical potential was developed within the charge optimized many body (COMB) formalism. This potential was then used to examine the thermodynamic stability of interfaces and mechanical properties of nanostructures composed of aluminum, its oxide and its nitride. The potentials were tested for these materials based on surface energies, defect energies, bulk phase stability, the mechanical properties of the most stable bulk phase, its phonon properties as well as with a genetic algorithm based evolution theory of

  17. Optimizing Computation of Repairs from Active Integrity Constraints

    DEFF Research Database (Denmark)

    Cruz-Filipe, Luís

    2014-01-01

    Active integrity constraints (AICs) are a form of integrity constraints for databases that not only identify inconsistencies, but also suggest how these can be overcome. The semantics for AICs defines different types of repairs, but deciding whether an inconsistent database can be repaired...... and finding possible repairs is a NP- or Σ2p-complete problem, depending on the type of repairs one has in mind. In this paper, we introduce two different relations on AICs: an equivalence relation of independence, allowing the search to be parallelized among the equivalence classes, and a precedence relation...

  18. Concepts on integration of physical protection and material accounting functions in a safeguards system

    International Nuclear Information System (INIS)

    Reynolds, D.A.

    1981-01-01

    Concepts on integration of physical protection and material accounting systems to enhance overall safeguards capability are developed and presented. These concepts identify ways in which material accounting systems can be used to enable effective monitoring of authorized movement of nuclear material through physical protection boundaries. Concepts are also discussed for monitoring user access to nuclear material and for tagging user identification to material accounting transactions through physical protection functions. These result in benefits in detecting diversion and in positively tracing material movement. Finally, coordination of safeguards information from both subsystems in such an integrated system through a safeguards coordination center is addressed with emphasis on appropriate response in case of discrepancies

  19. Error Mitigation in Computational Design of Sustainable Energy Materials

    DEFF Research Database (Denmark)

    Christensen, Rune

    by individual C=O bonds. Energy corrections applied to C=O bonds significantly reduce systematic errors and can be extended to adsorbates. A similar study is performed for intermediates in the oxygen evolution and oxygen reduction reactions. An identified systematic error on peroxide bonds is found to also...... be present in the OOH* adsorbate. However, the systematic error will almost be canceled by inclusion of van der Waals energy. The energy difference between key adsorbates is thus similar to that previously found. Finally, a method is developed for error estimation in computationally inexpensive neural...

  20. Computational simulation of laser heat processing of materials

    Science.gov (United States)

    Shankar, Vijaya; Gnanamuthu, Daniel

    1987-04-01

    A computational model simulating the laser heat treatment of AISI 4140 steel plates with a CW CO2 laser beam has been developed on the basis of the three-dimensional, time-dependent heat equation (subject to the appropriate boundary conditions). The solution method is based on Newton iteration applied to a triple-approximate factorized form of the equation. The method is implicit and time-accurate; the maintenance of time-accuracy in the numerical formulation is noted to be critical for the simulation of finite length workpieces with a finite laser beam dwell time.

  1. Integration of small computers in the low budget facility

    International Nuclear Information System (INIS)

    Miller, G.E.; Crofoot, T.A.

    1988-01-01

    Inexpensive computers (PC's) are well within the reach of low budget reactor facilities. It is possible to envisage many uses that will both improve capabilities of existing instrumentation and also assist operators and staff with certain routine tasks. Both of these opportunities are important for survival at facilities with severe budget and staffing limitations. (author)

  2. All for One: Integrating Budgetary Methods by Computer.

    Science.gov (United States)

    Herman, Jerry J.

    1994-01-01

    With the advent of high speed and sophisticated computer programs, all budgetary systems can be combined in one fiscal management information system. Defines and provides examples for the four budgeting systems: (1) function/object; (2) planning, programming, budgeting system; (3) zero-based budgeting; and (4) site-based budgeting. (MLF)

  3. Integration of case study approach, project design and computer ...

    African Journals Online (AJOL)

    pc

    2018-03-05

    Mar 5, 2018 ... computer modeling used as a research method applied in the process ... conclusions discuss the benefits for students who analyzed the ... accounting education process the case study method should not .... providing travel safety information to passengers ... from literature readings with practical problems.

  4. Beyond Computer Literacy: Technology Integration and Curriculum Transformation

    Science.gov (United States)

    Safar, Ammar H.; AlKhezzi, Fahad A.

    2013-01-01

    Personal computers, the Internet, smartphones, and other forms of information and communication technology (ICT) have changed our world, our job, our personal lives, as well as how we manage our knowledge and time effectively and efficiently. Research findings in the past decades have acknowledged and affirmed that the content the ICT medium…

  5. GLOFRIM v1.0-A globally applicable computational framework for integrated hydrological-hydrodynamic modelling

    NARCIS (Netherlands)

    Hoch, Jannis M.; Neal, Jeffrey C.; Baart, Fedor; Van Beek, Rens; Winsemius, Hessel C.; Bates, Paul D.; Bierkens, Marc F.P.

    2017-01-01

    We here present GLOFRIM, a globally applicable computational framework for integrated hydrological-hydrodynamic modelling. GLOFRIM facilitates spatially explicit coupling of hydrodynamic and hydrologic models and caters for an ensemble of models to be coupled. It currently encompasses the global

  6. Higher-Order Integral Equation Methods in Computational Electromagnetics

    DEFF Research Database (Denmark)

    Jørgensen, Erik; Meincke, Peter

    Higher-order integral equation methods have been investigated. The study has focused on improving the accuracy and efficiency of the Method of Moments (MoM) applied to electromagnetic problems. A new set of hierarchical Legendre basis functions of arbitrary order is developed. The new basis...

  7. Integrating CAD/CAM in Automation and Materials Handling

    Science.gov (United States)

    Deal, Walter F.; Jones, Catherine E.

    2012-01-01

    Humans by their very nature are users of tools, materials, and processes as a part of their survival and existence. As humans have progressed over time, their civilizations and societies have changed beyond imagination and have moved from hunters and gatherers of food and materials for survival to sophisticated societies with complex social and…

  8. Generation IV Reactors Integrated Materials Technology Program Plan: Focus on Very High Temperature Reactor Materials

    Energy Technology Data Exchange (ETDEWEB)

    Corwin, William R [ORNL; Burchell, Timothy D [ORNL; Katoh, Yutai [ORNL; McGreevy, Timothy E [ORNL; Nanstad, Randy K [ORNL; Ren, Weiju [ORNL; Snead, Lance Lewis [ORNL; Wilson, Dane F [ORNL

    2008-08-01

    requirements. (4) Pressure Vessel Steels: (a) Qualification of short-term, high-temperature properties of light water reactor steels for anticipated VHTR off-normal conditions must be determined, as well as the effects of aging on tensile, creep, and toughness properties, and on thermal emissivity. (b) Large-scale fabrication process for higher temperature alloys, such as 9Cr-1MoV, including ensuring thick-section and weldment integrity must be developed, as well as improved definitions of creep-fatigue and negligible creep behavior. (5) High-Temperature Alloys: (a) Qualification and codification of materials for the intermediate heat exchanger, such as Alloys 617 or 230, for long-term very high-temperature creep, creep-fatigue, and environmental aging degradation must be done, especially in thin sections for compact designs, for both base metal and weldments. (b) Constitutive models and an improved methodology for high-temperature design must be developed.

  9. Integration of the TNXYZ computer program inside the platform Salome

    International Nuclear Information System (INIS)

    Chaparro V, F. J.

    2014-01-01

    The present work shows the procedure carried out to integrate the code TNXYZ as a calculation tool at the graphical simulation platform Salome. The TNXYZ code propose a numerical solution of the neutron transport equation, in several groups of energy, steady-state and three-dimensional geometry. In order to discretized the variables of the transport equation, the code uses the method of discrete ordinates for the angular variable, and a nodal method for the spatial dependence. The Salome platform is a graphical environment designed for building, editing and simulating mechanical models mainly focused on the industry and unlike other software, in order to form a complete scheme of pre and post processing of information, to integrate and control an external source code. Before the integration the in the Salome platform TNXYZ code was upgraded. TNXYZ was programmed in the 90s using Fortran 77 compiler; for this reason the code was adapted to the characteristics of the current Fortran compilers; in addition, with the intention of extracting partial results over the process sequence, the original structure of the program underwent a modularization process, i.e. the main program was divided into sections where the code performs major operations. This procedure is controlled by the information module (YACS) on Salome platform, and it could be useful for a subsequent coupling with thermal-hydraulics codes. Finally, with the help of the Monte Carlo code Serpent several study cases were defined in order to check the process of integration; the verification process consisted in performing a comparison of the results obtained with the code executed as stand-alone and after modernized, integrated and controlled by the Salome platform. (Author)

  10. A computer based approach for Material, Manpower and Equipment managementin the Construction Projects

    Science.gov (United States)

    Sasidhar, Jaladanki; Muthu, D.; Venkatasubramanian, C.; Ramakrishnan, K.

    2017-07-01

    The success of any construction project will depend on efficient management of resources in a perfect manner to complete the project with a reasonable budget and time and the quality cannot be compromised. The efficient and timely procurement of material, deployment of adequate labor at correct time and mobilization of machinery lacking in time, all of them causes delay, lack of quality and finally affect the project cost. It is known factor that Project cost can be controlled by taking corrective actions on mobilization of resources at a right time. This research focuses on integration of management systems with the computer to generate the model which uses OOM data structure which decides to include automatic commodity code generation, automatic takeoff execution, intelligent purchase order generation, and components of design and schedule integration to overcome the problems of stock out. To overcome the problem in equipment management system inventory management module is suggested and the data set of equipment registration number, equipment number, description, date of purchase, manufacturer, equipment price, market value, life of equipment, production data of the equipment which includes equipment number, date, name of the job, hourly rate, insurance, depreciation cost of the equipment, taxes, storage cost, interest, oil, grease, and fuel consumption, etc. is analyzed and the decision support systems to overcome the problem arising out improper management is generated. The problem on labor is managed using scheduling, Strategic management of human resources. From the generated support systems tool, the resources are mobilized at a right time and help the project manager to finish project in time and thereby save the abnormal project cost and also provides the percentage that can be improved and also research focuses on determining the percentage of delays that are caused by lack of management of materials, manpower and machinery in different types of projects

  11. TAOI B- Computational Microstructural Optimization Design Tool for High Temperature Structural Materials

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Rajiv [Univ. Of North Texas, Denton, TX (United States); Charit, Indrajit [Univ. of Idaho, Moscow, ID (United States)

    2015-02-28

    The objectives of this research were two-fold: (a) develop a methodology for microstructural optimization of alloys - genetic algorithm approach for alloy microstructural optimization using theoretical models based on fundamental micro-mechanisms, and (b) develop a new computationally designed Ni-Cr alloy for coal-fired power plant applications. The broader outcome of these objectives is expected to be creation of an integrated approach for ‘structural materials by microstructural design’. Three alloy systems were considered for computational optimization and validation, (i) Ni-20Cr (wt.%) base alloy using only solid solution strengthening, (ii) nano-Y2O3 containing Ni-20Cr-1.2Y2O3 (wt.%) alloy for dispersion strengthening and (iii) a sub-micron Al2O3 for composite strengthening, Ni-20Cr-1.2Y2O3-5.0Al2O3 (wt.%). The specimens were synthesized by mechanical alloying and consolidated using spark plasma sintering. Detailed microstructural characterization was done along with initial mechanical properties to validate the computational prediction. A key target property is to have creep rate of 1x10-9 s-1 at 100 MPa and 800oC. The initial results were quite promising and require additional quantification of strengthening contributions from dislocation-particle attractive interaction and load transfer. The observed creep rate was in order of 10-9 s-1 for longer time creep test of Ni-20Cr -1.2Y2O3-5Al2O3, lending support to the overall approach pursued in this project.

  12. Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials

    Science.gov (United States)

    Poltavsky, Igor; DiStasio, Robert A.; Tkatchenko, Alexandre

    2018-03-01

    Nuclear quantum effects (NQE), which include both zero-point motion and tunneling, exhibit quite an impressive range of influence over the equilibrium and dynamical properties of molecules and materials. In this work, we extend our recently proposed perturbed path-integral (PPI) approach for modeling NQE in molecular systems [I. Poltavsky and A. Tkatchenko, Chem. Sci. 7, 1368 (2016)], which successfully combines the advantages of thermodynamic perturbation theory with path-integral molecular dynamics (PIMD), in a number of important directions. First, we demonstrate the accuracy, performance, and general applicability of the PPI approach to both molecules and extended (condensed-phase) materials. Second, we derive a series of estimators within the PPI approach to enable calculations of structural properties such as radial distribution functions (RDFs) that exhibit rapid convergence with respect to the number of beads in the PIMD simulation. Finally, we introduce an effective nuclear temperature formalism within the framework of the PPI approach and demonstrate that such effective temperatures can be an extremely useful tool in quantitatively estimating the "quantumness" associated with different degrees of freedom in the system as well as providing a reliable quantitative assessment of the convergence of PIMD simulations. Since the PPI approach only requires the use of standard second-order imaginary-time PIMD simulations, these developments enable one to include a treatment of NQE in equilibrium thermodynamic properties (such as energies, heat capacities, and RDFs) with the accuracy of higher-order methods but at a fraction of the computational cost, thereby enabling first-principles modeling that simultaneously accounts for the quantum mechanical nature of both electrons and nuclei in large-scale molecules and materials.

  13. CIM [computer-integrated manufacturing]: It all starts with product definition

    International Nuclear Information System (INIS)

    Stephens, A.E.

    1986-01-01

    The logical starting place for computer-integrated manufacturing (CIM) is at the front end of the production process - product definition. It consists of the part/assembly drawings, material lists, specifications, and procedures. Product definition starts at the design agencies: two nuclear design laboratories (Los Alamos National Laboratory and Lawrence Livermore National Laboratory) and a non-nuclear design laboratory (Sandia National Laboratories with two site locations). These laboratories perform the basic part design which is then transferred over a secure communications network to the Oak Ridge Y-12 Plant, where weapon components are produced by Martin Marietta Energy Systems, Inc., under contract with the Department of Energy (DOE). Initial Graphics Exchange Specifications (IGES) and DOE Data Exchange Format (DOEDEF) translation software is used to transfer part designs between dissimilar graphics systems. Product-definition data flow is examined both external and internal to the Y-12 Plant. Software developed specifically to computerize product definition is covered as follows: Electronic File Manager (EFM), Manage Design Documents, Distribute Product Definition, Manage Manufacturing Procedures and Product Specifications. Trident II is the first program to beneficially use CIM technologies plant-wide. Prototype software was written to add a layer of user friendliness through multilayer menu selects to enable access to a number of existing application software packages. Additional software was developed and purchased that enables a single personal computer to meet many needs. These product-definition needs include procedures generation, graphics viewing, and office automation. 3 figs

  14. Computational dynamics of laser alloyed metallic materials for improved corrosion performance: computational dynamics of laser alloyed metallic materials

    CSIR Research Space (South Africa)

    Fatoba, OS

    2016-04-01

    Full Text Available Laser alloying is a material processing method which utilizes the high power density available from defocused laser beam to melt both metal coatings and a part of the underlying substrate. Since melting occur solitary at the surface, large...

  15. Efficient technique for computational design of thermoelectric materials

    Science.gov (United States)

    Núñez-Valdez, Maribel; Allahyari, Zahed; Fan, Tao; Oganov, Artem R.

    2018-01-01

    Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we present a general first-principles approach to predict, in multicomponent systems, efficient thermoelectric compounds. The method combines a robust evolutionary algorithm, a Pareto multiobjective optimization, density functional theory and a Boltzmann semi-classical calculation of thermoelectric efficiency. To test the performance and reliability of our overall framework, we use the well-known system Bi2Te3-Sb2Te3.

  16. Subglacial sediment mechanics investigated by computer simulation of granular material

    DEFF Research Database (Denmark)

    Damsgaard, Anders; Egholm, David Lundbek; Tulaczyk, Slawek

    The mechanical properties of subglacial sediments are known to directly influence the stability of ice streams and fast-moving glaciers, but existing models of granular sediment deformation are poorly constrained. In addition, upscaling to generalized mathematical models is difficult due to the m......The mechanical properties of subglacial sediments are known to directly influence the stability of ice streams and fast-moving glaciers, but existing models of granular sediment deformation are poorly constrained. In addition, upscaling to generalized mathematical models is difficult due....... The numerical method is applied to better understand the mechanical properties of the subglacial sediment and its interaction with meltwater. The computational approach allows full experimental control and offers insights into the internal kinematics, stress distribution, and mechanical stability. During...

  17. Implicit Unstructured Computational Aerodynamics on Many-Integrated Core Architecture

    KAUST Repository

    Al Farhan, Mohammed A.

    2014-05-04

    This research aims to understand the performance of PETSc-FUN3D, a fully nonlinear implicit unstructured grid incompressible or compressible Euler code with origins at NASA and the U.S. DOE, on many-integrated core architecture and how a hybridprogramming paradigm (MPI+OpenMP) can exploit Intel Xeon Phi hardware with upwards of 60 cores per node and 4 threads per core. For the current contribution, we focus on strong scaling with many-integrated core hardware. In most implicit PDE-based codes, while the linear algebraic kernel is limited by the bottleneck of memory bandwidth, the flux kernel arising in control volume discretization of the conservation law residuals and the preconditioner for the Jacobian exploits the Phi hardware well.

  18. Spectrophotometer-Integrating-Sphere System for Computing Solar Absorptance

    Science.gov (United States)

    Witte, William G., Jr.; Slemp, Wayne S.; Perry, John E., Jr.

    1991-01-01

    A commercially available ultraviolet, visible, near-infrared spectrophotometer was modified to utilize an 8-inch-diameter modified Edwards-type integrated sphere. Software was written so that the reflectance spectra could be used to obtain solar absorptance values of 1-inch-diameter specimens. A descriptions of the system, spectral reflectance, and software for calculation of solar absorptance from reflectance data are presented.

  19. Experimental and computing strategies in advanced material characterization problems

    Energy Technology Data Exchange (ETDEWEB)

    Bolzon, G. [Department of Civil and Environmental Engineering, Politecnico di Milano, piazza Leonardo da Vinci 32, 20133 Milano, Italy gabriella.bolzon@polimi.it (Italy)

    2015-10-28

    The mechanical characterization of materials relies more and more often on sophisticated experimental methods that permit to acquire a large amount of data and, contemporarily, to reduce the invasiveness of the tests. This evolution accompanies the growing demand of non-destructive diagnostic tools that assess the safety level of components in use in structures and infrastructures, for instance in the strategic energy sector. Advanced material systems and properties that are not amenable to traditional techniques, for instance thin layered structures and their adhesion on the relevant substrates, can be also characterized by means of combined experimental-numerical tools elaborating data acquired by full-field measurement techniques. In this context, parameter identification procedures involve the repeated simulation of the laboratory or in situ tests by sophisticated and usually expensive non-linear analyses while, in some situation, reliable and accurate results would be required in real time. The effectiveness and the filtering capabilities of reduced models based on decomposition and interpolation techniques can be profitably used to meet these conflicting requirements. This communication intends to summarize some results recently achieved in this field by the author and her co-workers. The aim is to foster further interaction between engineering and mathematical communities.

  20. Experimental and computing strategies in advanced material characterization problems

    International Nuclear Information System (INIS)

    Bolzon, G.

    2015-01-01

    The mechanical characterization of materials relies more and more often on sophisticated experimental methods that permit to acquire a large amount of data and, contemporarily, to reduce the invasiveness of the tests. This evolution accompanies the growing demand of non-destructive diagnostic tools that assess the safety level of components in use in structures and infrastructures, for instance in the strategic energy sector. Advanced material systems and properties that are not amenable to traditional techniques, for instance thin layered structures and their adhesion on the relevant substrates, can be also characterized by means of combined experimental-numerical tools elaborating data acquired by full-field measurement techniques. In this context, parameter identification procedures involve the repeated simulation of the laboratory or in situ tests by sophisticated and usually expensive non-linear analyses while, in some situation, reliable and accurate results would be required in real time. The effectiveness and the filtering capabilities of reduced models based on decomposition and interpolation techniques can be profitably used to meet these conflicting requirements. This communication intends to summarize some results recently achieved in this field by the author and her co-workers. The aim is to foster further interaction between engineering and mathematical communities

  1. RADTRAN II: revised computer code to analyze transportation of radioactive material

    International Nuclear Information System (INIS)

    Taylor, J.M.; Daniel, S.L.

    1982-10-01

    A revised and updated version of the RADTRAN computer code is presented. This code has the capability to predict the radiological impacts associated with specific schemes of radioactive material shipments and mode specific transport variables

  2. Computational integration of the phases and procedures of calibration processes for radioprotection

    International Nuclear Information System (INIS)

    Santos, Gleice R. dos; Thiago, Bibiana dos S.; Rocha, Felicia D.G.; Santos, Gelson P. dos; Potiens, Maria da Penha A.; Vivolo, Vitor

    2011-01-01

    This work proceed the computational integration of the processes phases by using only a single computational software, from the entrance of the instrument at the Instrument Calibration Laboratory (LCI-IPEN) to the conclusion of calibration procedures. So, the initial information such as trade mark, model, manufacturer, owner, and the calibration records are digitized once until the calibration certificate emission

  3. Integrating Computer-Assisted Language Learning in Saudi Schools: A Change Model

    Science.gov (United States)

    Alresheed, Saleh; Leask, Marilyn; Raiker, Andrea

    2015-01-01

    Computer-assisted language learning (CALL) technology and pedagogy have gained recognition globally for their success in supporting second language acquisition (SLA). In Saudi Arabia, the government aims to provide most educational institutions with computers and networking for integrating CALL into classrooms. However, the recognition of CALL's…

  4. Silicon integrated circuits advances in materials and device research

    CERN Document Server

    Kahng, Dawon

    1981-01-01

    Silicon Integrated Circuits, Part B covers the special considerations needed to achieve high-power Si-integrated circuits. The book presents articles about the most important operations needed for the high-power circuitry, namely impurity diffusion and oxidation; crystal defects under thermal equilibrium in silicon and the development of high-power device physics; and associated technology. The text also describes the ever-evolving processing technology and the most promising approaches, along with the understanding of processing-related areas of physics and chemistry. Physicists, chemists, an

  5. On the computation of the Nijboer-Zernike aberration integrals at arbitrary defocus

    NARCIS (Netherlands)

    Janssen, A.J.E.M.; Braat, J.J.M.; Dirksen, P.

    2004-01-01

    We present a new computation scheme for the integral expressions describing the contributions of single aberrations to the diffraction integral in the context of an extended Nijboer-Zernike approach. Such a scheme, in the form of a power series involving the defocus parameter with coefficients given

  6. A Comparative Study of Multi-material Data Structures for Computational Physics Applications

    Energy Technology Data Exchange (ETDEWEB)

    Garimella, Rao Veerabhadra [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Robey, Robert W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-01-31

    The data structures used to represent the multi-material state of a computational physics application can have a drastic impact on the performance of the application. We look at efficient data structures for sparse applications where there may be many materials, but only one or few in most computational cells. We develop simple performance models for use in selecting possible data structures and programming patterns. We verify the analytic models of performance through a small test program of the representative cases.

  7. Integrating the Media Computation API with Pythy, an Online IDE for Novice Python Programmers

    OpenAIRE

    Athri, Ashima

    2015-01-01

    Improvements in both software and curricula have helped introductory computer science courses attract and retain more students. Pythy is one such online learning environment that aims to reduce software setup related barriers to learning Python while providing facilities like course management and grading to instructors. To further enable its goals of being beginner-centric, we want to integrate full support for media-computation-style programming activities. The media computation curriculum ...

  8. Computational Study on Spirocyclic Compounds as Energetic Materials (I)

    Energy Technology Data Exchange (ETDEWEB)

    Seok, Won K. [Dongguk Univ., Seoul (Korea, Republic of)

    2014-04-15

    The molecular structures of 2,6-diaza-1,3,5,7-tetraoxaspiro heptane and its dinitro derivative, 2,6-dinitro-2,6-diaza-1,3,5,7-tetraoxaspiro heptane, were fully optimized without symmetry constraints at HF/6-31G level of theory. A bisected conformation with respect to the ring is preferred with a C{sub 2} symmetric structure. The density of each molecule in the crystalline state was estimated to 1.12 and 2.36 g/cm{sup 3} using PM3/VSTO-3G calculations from the molecular volume. The heat of formation was calculated for two compounds at the CBS-4M level of theory. The detonation parameters were computed using the EXPLO5 software: D = 6282 m/s, P{sub C-J} = 127 kbar for compound, D = 7871 m/s, P{sub C-J} = 307 kbar for compound, and D = 6975 m/s, P{sub C-J} = 170 kbar for 60% compound with 40% TNT. Specific impulse of compound 1 in aluminized formulation when used as monopropellants was very similar to that of the conventional ammonium perchlorate in the same formulation of aluminum.

  9. Computational techniques in tribology and material science at the atomic level

    Science.gov (United States)

    Ferrante, J.; Bozzolo, G. H.

    1992-01-01

    Computations in tribology and material science at the atomic level present considerable difficulties. Computational techniques ranging from first-principles to semi-empirical and their limitations are discussed. Example calculations of metallic surface energies using semi-empirical techniques are presented. Finally, application of the methods to calculation of adhesion and friction are presented.

  10. A fiber orientation-adapted integration scheme for computing the hyperelastic Tucker average for short fiber reinforced composites

    Science.gov (United States)

    Goldberg, Niels; Ospald, Felix; Schneider, Matti

    2017-10-01

    In this article we introduce a fiber orientation-adapted integration scheme for Tucker's orientation averaging procedure applied to non-linear material laws, based on angular central Gaussian fiber orientation distributions. This method is stable w.r.t. fiber orientations degenerating into planar states and enables the construction of orthotropic hyperelastic energies for truly orthotropic fiber orientation states. We establish a reference scenario for fitting the Tucker average of a transversely isotropic hyperelastic energy, corresponding to a uni-directional fiber orientation, to microstructural simulations, obtained by FFT-based computational homogenization of neo-Hookean constituents. We carefully discuss ideas for accelerating the identification process, leading to a tremendous speed-up compared to a naive approach. The resulting hyperelastic material map turns out to be surprisingly accurate, simple to integrate in commercial finite element codes and fast in its execution. We demonstrate the capabilities of the extracted model by a finite element analysis of a fiber reinforced chain link.

  11. Integrated computer codes for nuclear power plant severe accident analysis

    International Nuclear Information System (INIS)

    Jordanov, I.; Khristov, Y.

    1995-01-01

    This overview contains a description of the Modular Accident Analysis Program (MAAP), ICARE computer code and Source Term Code Package (STCP). STCP is used to model TMLB sample problems for Zion Unit 1 and WWER-440/V-213 reactors. Comparison is made of STCP implementation on VAX and IBM systems. In order to improve accuracy, a double precision version of MARCH-3 component of STCP is created and the overall thermal hydraulics is modelled. Results of modelling the containment pressure, debris temperature, hydrogen mass are presented. 5 refs., 10 figs., 2 tabs

  12. Integrated computer codes for nuclear power plant severe accident analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jordanov, I; Khristov, Y [Bylgarska Akademiya na Naukite, Sofia (Bulgaria). Inst. za Yadrena Izsledvaniya i Yadrena Energetika

    1996-12-31

    This overview contains a description of the Modular Accident Analysis Program (MAAP), ICARE computer code and Source Term Code Package (STCP). STCP is used to model TMLB sample problems for Zion Unit 1 and WWER-440/V-213 reactors. Comparison is made of STCP implementation on VAX and IBM systems. In order to improve accuracy, a double precision version of MARCH-3 component of STCP is created and the overall thermal hydraulics is modelled. Results of modelling the containment pressure, debris temperature, hydrogen mass are presented. 5 refs., 10 figs., 2 tabs.

  13. Evaluation of material integrity on electricity power steam generator cycles (turbine casing) component

    International Nuclear Information System (INIS)

    Histori; Benedicta; Farokhi; S A, Soedardjo; Triyadi, Ari; Natsir, M

    1999-01-01

    The evaluation of material integrity on power steam generator cycles component was done. The test was carried out on casing turbine which is made from Inconel 617. The tested material was taken from t anjung Priok plant . The evaluation was done by metallography analysis using microscope with magnification of 400. From the result, it is shown that the material grains are equiaxed

  14. Energy harvesting: an integrated view of materials, devices and applications

    Science.gov (United States)

    Radousky, H. B.; Liang, H.

    2012-12-01

    Energy harvesting refers to the set of processes by which useful energy is captured from waste, environmental, or mechanical sources and is converted into a usable form. The discipline of energy harvesting is a broad topic that includes established methods and materials such as photovoltaics and thermoelectrics, as well as more recent technologies that convert mechanical energy, magnetic energy and waste heat to electricity. This article will review various state-of-the-art materials and devices for direct energy conversion and in particular will include multistep energy conversion approaches. The article will highlight the nano-materials science underlying energy harvesting principles and devices, but also include more traditional bulk processes and devices as appropriate and synergistic. Emphasis is placed on device-design innovations that lead to higher efficiency energy harvesting or conversion technologies ranging from the cm/mm-scale down to MEMS/NEMS (micro- and nano-electromechanical systems) devices. Theoretical studies are reviewed, which address transport properties, crystal chemistry, thermodynamic analysis, energy transfer, system efficiency and device operation. New developments in experimental methods; device design and fabrication; nanostructured materials fabrication; materials properties; and device performance measurement techniques are discussed.

  15. Integrating computation into the undergraduate curriculum: A vision and guidelines for future developments

    Science.gov (United States)

    Chonacky, Norman; Winch, David

    2008-04-01

    There is substantial evidence of a need to make computation an integral part of the undergraduate physics curriculum. This need is consistent with data from surveys in both the academy and the workplace, and has been reinforced by two years of exploratory efforts by a group of physics faculty for whom computation is a special interest. We have examined past and current efforts at reform and a variety of strategic, organizational, and institutional issues involved in any attempt to broadly transform existing practice. We propose a set of guidelines for development based on this past work and discuss our vision of computationally integrated physics.

  16. An integrated computer control system for the ANU linac

    International Nuclear Information System (INIS)

    Davidson, P.M.; Foote, G.S.

    1996-01-01

    One facet of the installation of the superconducting linac at the ANU is the need for computer control of a variety of systems, such as beam transport, resonator RF, cryogenics and others. To accommodate this, a number of control interfaces (for example, analogue signals and RS232 serial lines) must be employed. Ideally, all of the systems should be able to be controlled from a central location, remote from the actual devices. To this end a system based around VAX computers and VME crates has been designed and is currently being developed and implemented. A VAXstation is used to issue control messages and perform high-level functions, while VME crates containing appropriate modules (primarily DACs, ADCs and digital I/O boards) control the devices. The controllers in the VME crates are AEON rtVAX modules running a real-time operating system. Communication with the VAXstation is via DECnet, on a private ethernet to allow communication rates unaffected by unrelated network activity and potentially increasing the security of the system by providing a possible network isolation point. Also on this ethernet are a number of terminal servers to control RS232 devices. A central database contains all device control and monitoring parameters. The main control process running on the VAXstation is responsible for maintaining the current values of the parameters in the database and for dispatching control messages to the appropriate VME crate or RS232 serial line

  17. A computational- And storage-cloud for integration of biodiversity collections

    Science.gov (United States)

    Matsunaga, A.; Thompson, A.; Figueiredo, R. J.; Germain-Aubrey, C.C; Collins, M.; Beeman, R.S; Macfadden, B.J.; Riccardi, G.; Soltis, P.S; Page, L. M.; Fortes, J.A.B

    2013-01-01

    A core mission of the Integrated Digitized Biocollections (iDigBio) project is the building and deployment of a cloud computing environment customized to support the digitization workflow and integration of data from all U.S. nonfederal biocollections. iDigBio chose to use cloud computing technologies to deliver a cyberinfrastructure that is flexible, agile, resilient, and scalable to meet the needs of the biodiversity community. In this context, this paper describes the integration of open source cloud middleware, applications, and third party services using standard formats, protocols, and services. In addition, this paper demonstrates the value of the digitized information from collections in a broader scenario involving multiple disciplines.

  18. A systematic and efficient method to compute multi-loop master integrals

    Directory of Open Access Journals (Sweden)

    Xiao Liu

    2018-04-01

    Full Text Available We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems with arbitrary kinematic configurations. Numerical tests show that our method can not only achieve results with high precision, but also be much faster than the only existing systematic method sector decomposition. As a by product, we find a new strategy to compute scalar one-loop integrals without reducing them to master integrals.

  19. A systematic and efficient method to compute multi-loop master integrals

    Science.gov (United States)

    Liu, Xiao; Ma, Yan-Qing; Wang, Chen-Yu

    2018-04-01

    We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems with arbitrary kinematic configurations. Numerical tests show that our method can not only achieve results with high precision, but also be much faster than the only existing systematic method sector decomposition. As a by product, we find a new strategy to compute scalar one-loop integrals without reducing them to master integrals.

  20. Structurally integrated fiber optic damage assessment system for composite materials.

    Science.gov (United States)

    Measures, R M; Glossop, N D; Lymer, J; Leblanc, M; West, J; Dubois, S; Tsaw, W; Tennyson, R C

    1989-07-01

    Progress toward the development of a fiber optic damage assessment system for composite materials is reported. This system, based on the fracture of embedded optical fibers, has been characterized with respect to the orientation and location of the optical fibers in the composite. Together with a special treatment, these parameters have been tailored to yield a system capable of detecting the threshold of damage for various impacted Kevlar/epoxy panels. The technique has been extended to measure the growth of a damage region which could arise from either impact, manufacturing flaws, or static overloading. The mechanism of optical fiber fracture has also been investigated. In addition, the influence of embedded optical fibers on the tensile and compressive strength of the composite material has been studied. Image enhanced backlighting has been shown to be a powerful and convenient method of assessing internal damage to translucent composite materials.

  1. The INGECAD multidisciplinary integrated computer aided engineering system

    International Nuclear Information System (INIS)

    Kisielewicz, L.T.

    1989-01-01

    The purpose of this paper is to define the key criteria of an integrated CAE system, and to discuss the solution developed by Ingevision to match these criteria. An information flow model of process plant engineering is presented as a background to the key criteria of CAE systems. This model includes multidisciplinary interfaces and project changes up to the as-built stage. The key quality criteria of CAE systems correspond to managerial issues, such as project control, to technical issues, consistency and quality assurance, and to economical issues, such as cost optimization. The INGECAD system answers these criteria with a tripod nucleus underlying a set of specialized applications. The nucleus includes a Data Base Management System, basic Graphical Tools, and a Decision Support System. The paper overviews the different modules of the INGECAD system emphasizing the general architecture and the basic tools. Specific examples are developed in functional design, cost optimized items selection, and semi-automated routing of piping system. These examples are not intended to illustrate exhaustively the capabilities of the INGECAD system, but rather to highlight some of the advantages the multidisciplinary integration of the system provides to the users. (orig./HP)

  2. Computational Design and Characterization of New Battery Materials

    DEFF Research Database (Denmark)

    Mýrdal, Jón Steinar Garðarsson

    . It is hoped that high energy dense Li-air batteries will be able to replace Li-ion batteries in the future. There are however number of challenge that need to be solved before that can happen. We have studied the growth and decomposition of Li2O2, which is the main discharge product of Li-O2batteries......This thesis is dedicated to the investigation and design of new functional materials for energy storage. The focus of the presented work is on components for the successful Li-ion and the promising Li-air batteries. First principle density function theory calculations are applied to screening...... electrolytes are believed to increase safety in Li based batteries as they would prevent metallic growth in the electrolyte. LiBH4 has a solid superionic conducting HT phase that is stable above 390 K. The HT phase can be stabilized at room temperature with substitution of I into the LiBH4 structure. Here we...

  3. Integrated Markov-neural reliability computation method: A case for multiple automated guided vehicle system

    International Nuclear Information System (INIS)

    Fazlollahtabar, Hamed; Saidi-Mehrabad, Mohammad; Balakrishnan, Jaydeep

    2015-01-01

    This paper proposes an integrated Markovian and back propagation neural network approaches to compute reliability of a system. While states of failure occurrences are significant elements for accurate reliability computation, Markovian based reliability assessment method is designed. Due to drawbacks shown by Markovian model for steady state reliability computations and neural network for initial training pattern, integration being called Markov-neural is developed and evaluated. To show efficiency of the proposed approach comparative analyses are performed. Also, for managerial implication purpose an application case for multiple automated guided vehicles (AGVs) in manufacturing networks is conducted. - Highlights: • Integrated Markovian and back propagation neural network approach to compute reliability. • Markovian based reliability assessment method. • Managerial implication is shown in an application case for multiple automated guided vehicles (AGVs) in manufacturing networks

  4. Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

    Science.gov (United States)

    Thorp, Scott A.

    1992-01-01

    This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

  5. Decision trees and integrated features for computer aided mammographic screening

    Energy Technology Data Exchange (ETDEWEB)

    Kegelmeyer, W.P. Jr.; Groshong, B.; Allmen, M.; Woods, K.

    1997-02-01

    Breast cancer is a serious problem, which in the United States causes 43,000 deaths a year, eventually striking 1 in 9 women. Early detection is the only effective countermeasure, and mass mammography screening is the only reliable means for early detection. Mass screening has many shortcomings which could be addressed by a computer-aided mammographic screening system. Accordingly, we have applied the pattern recognition methods developed in earlier investigations of speculated lesions in mammograms to the detection of microcalcifications and circumscribed masses, generating new, more rigorous and uniform methods for the detection of both those signs. We have also improved the pattern recognition methods themselves, through the development of a new approach to combinations of multiple classifiers.

  6. Computational Modelling of Materials for Wind Turbine Blades: Selected DTU Wind Energy Activities.

    Science.gov (United States)

    Mikkelsen, Lars Pilgaard; Mishnaevsky, Leon

    2017-11-08

    Computational and analytical studies of degradation of wind turbine blade materials at the macro-, micro-, and nanoscale carried out by the modelling team of the Section Composites and Materials Mechanics, Department of Wind Energy, DTU, are reviewed. Examples of the analysis of the microstructural effects on the strength and fatigue life of composites are shown. Computational studies of degradation mechanisms of wind blade composites under tensile and compressive loading are presented. The effect of hybrid and nanoengineered structures on the performance of the composite was studied in computational experiments as well.

  7. 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.

  8. 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.

  9. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Surbella, Robert G. [Department; Ducati, Lucas C. [Department; Pellegrini, Kristi L. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; McNamara, Bruce K. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; Autschbach, Jochen [Department; Schwantes, Jon M. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; Cahill, Christopher L. [Department

    2017-07-26

    A family of twelve supramolecular [AnO2Cl4]2- (An = U, Np, Pu) containing compounds assembled via hydrogen and halogen bonds donated by substituted 4-X-pyridinium cations (X = H, Cl, Br, I) is reported. These materials were prepared from a room-temperature synthesis wherein crystallization of unhydrolyzed and valence pure [An(VI)O2Cl4]2- (An = U, Np, Pu) tectons are the norm. We present a hierarchy of assembly criteria based on crystallographic observations, and subsequently quantify the strengths of the non-covalent interactions using Kohn-Sham density functional calculations. We provide, for the first time, a detailed description of the electrostatic potentials (ESPs) of the actinyl tetrahalide dianions and reconcile crystallographically observed structural motifs and non-covalent interaction (NCI) acceptor-donor pairings. Our findings indicate that the average electrostatic potential across the halogen ligands (the acceptors) changes by only ~2 kJ mol-1 across the AnO22+ series, indicating the magnitude of the potential is independent of the metal center. The role of the cation is therefore critical in directing structural motifs and dictating the resulting hydrogen and halogen bond strengths, the former being stronger due to the positive charge centralized on the pyridyl nitrogen N-H+. Subsequent analyses using the Quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) approaches support this conclusion and highlight the structure directing role of the cations. Whereas one can infer that the 2 Columbic attraction is the driver for assembly, the contribution of the non-covalent interaction is to direct the molecular-level arrangement (or disposition) of the tectons.

  10. Research and development on materials, structural strength and seismic integrity of FBR components

    International Nuclear Information System (INIS)

    Sumikawa, Masaharu; Kirihara, Seishin; Shigeta, Masayuki; Shimoyashiki, Shigehiro; Nishioka, Akio.

    1982-01-01

    For designing high temperature structures of FBRs, highly reliable design is required on the basis of safety requirement. At the same time, it is necessary to guarantee the soundness of structures over the total design life of plants. Since the high temperature equipments are operated in a creep temperature region and show nonlinear behaviour, nonlinear structural analysis is required. Hitachi Ltd., based on the concept of verifying the latest technology to reflect it to the design along with its adoption, has progressed various research and development by organizing a project team collecting specialists in the company, independently developing and modifying the nonlinear structural analysis and evaluation program, and establishing the organization through the introduction of a general purpose large scale computer. The research and development for materials include the development of the strength standards for high temperature structural materials and the improvement of the high temperature characteristics of JIS stainless steel SUS 321. In the R and D for high temperature strength, the test on the deforming behaviour of plates due to bending creep, the thermal shock test for steam generator tube plates and others were performed. In the R and D for seismic integrity, the vibration test of piping support structure and the development of detailed seismic property evaluation program are mentioned. (Wakatsuki, Y.)

  11. Medicinal electrochemistry: integration of electrochemistry, medicinal chemistry and computational chemistry.

    Science.gov (United States)

    Almeida, M O; Maltarollo, V G; de Toledo, R A; Shim, H; Santos, M C; Honorio, K M

    2014-01-01

    Over the last centuries, there were many important discoveries in medicine that were crucial for gaining a better understanding of several physiological processes. Molecular modelling techniques are powerful tools that have been successfully used to analyse and interface medicinal chemistry studies with electrochemical experimental results. This special combination can help to comprehend medicinal chemistry problems, such as predicting biological activity and understanding drug action mechanisms. Electrochemistry has provided better comprehension of biological reactions and, as a result of many technological improvements, the combination of electrochemical techniques and biosensors has become an appealing choice for pharmaceutical and biomedical analyses. Therefore, this review will briefly outline the present scope and future advances related to the integration of electrochemical and medicinal chemistry approaches based on various applications from recent studies.

  12. Computing the demagnetizing tensor for finite difference micromagnetic simulations via numerical integration

    International Nuclear Information System (INIS)

    Chernyshenko, Dmitri; Fangohr, Hans

    2015-01-01

    In the finite difference method which is commonly used in computational micromagnetics, the demagnetizing field is usually computed as a convolution of the magnetization vector field with the demagnetizing tensor that describes the magnetostatic field of a cuboidal cell with constant magnetization. An analytical expression for the demagnetizing tensor is available, however at distances far from the cuboidal cell, the numerical evaluation of the analytical expression can be very inaccurate. Due to this large-distance inaccuracy numerical packages such as OOMMF compute the demagnetizing tensor using the explicit formula at distances close to the originating cell, but at distances far from the originating cell a formula based on an asymptotic expansion has to be used. In this work, we describe a method to calculate the demagnetizing field by numerical evaluation of the multidimensional integral in the demagnetizing tensor terms using a sparse grid integration scheme. This method improves the accuracy of computation at intermediate distances from the origin. We compute and report the accuracy of (i) the numerical evaluation of the exact tensor expression which is best for short distances, (ii) the asymptotic expansion best suited for large distances, and (iii) the new method based on numerical integration, which is superior to methods (i) and (ii) for intermediate distances. For all three methods, we show the measurements of accuracy and execution time as a function of distance, for calculations using single precision (4-byte) and double precision (8-byte) floating point arithmetic. We make recommendations for the choice of scheme order and integrating coefficients for the numerical integration method (iii). - Highlights: • We study the accuracy of demagnetization in finite difference micromagnetics. • We introduce a new sparse integration method to compute the tensor more accurately. • Newell, sparse integration and asymptotic method are compared for all ranges

  13. Intraoperative computed tomography with integrated navigation system in spinal stabilizations.

    Science.gov (United States)

    Zausinger, Stefan; Scheder, Ben; Uhl, Eberhard; Heigl, Thomas; Morhard, Dominik; Tonn, Joerg-Christian

    2009-12-15

    STUDY DESIGN.: A prospective interventional case-series study plus a retrospective analysis of historical patients for comparison of data. OBJECTIVE.: To evaluate workflow, feasibility, and clinical outcome of navigated stabilization procedures with data acquisition by intraoperative computed tomography. SUMMARY OF BACKGROUND DATA.: Routine fluoroscopy to assess pedicle screw placement is not consistently reliable. Our hypothesis was that image-guided spinal navigation using an intraoperative CT-scanner can improve the safety and precision of spinal stabilization surgery. METHODS.: CT data of 94 patients (thoracolumbar [n = 66], C1/2 [n = 12], cervicothoracic instability [n = 16]) were acquired after positioning the patient in the final surgical position. A sliding gantry 40-slice CT was used for image acquisition. Data were imported to a frameless infrared-based neuronavigation workstation. Intraoperative CT was obtained to assess the accuracy of instrumentation and, if necessary, the extent of decompression. All patients were clinically evaluated by Odom-criteria after surgery and after 3 months. RESULTS.: Computed accuracy of the navigation system reached /=2 mm without persistent neurologic or vascular damage in 20/414 screws (4.8%) leading to immediate correction of 10 screws (2.4%). Control-iCT changed the course of surgery in 8 cases (8.5% of all patients). The overall revision rate was 8.5% (4 wound revisions, 2 CSF fistulas, and 2 epidural hematomas). There was no reoperation due to implant malposition. According to Odom-criteria all patients experienced a clinical improvement. A retrospective analysis of 182 patients with navigated thoracolumbar transpedicular stabilizations in the preiCT era revealed an overall revision rate of 10.4% with 4.4% of patients requiring screw revision. CONCLUSION.: Intraoperative CT in combination with neuronavigation provides high accuracy of screw placement and thus safety for patients undergoing spinal stabilization

  14. An integrated computer control system for the ANU linac

    Science.gov (United States)

    Davidson, P. M.; Foote, G. S.

    1996-02-01

    One facet of the installation of the superconducting linac at the ANU is the need for computer control of a variety of systems, such as beam transport, resonator RF, cryogenics and others. To accommodate this, a number of control interfaces (for example, analogue signals and RS232 serial lines) must be employed. Ideally, all of the systems should be able to be controlled from a central location, remote from the actual devices. To this end a system based around VAX computers and VME crates has been designed and is currently being developed and implemented. A VAXstation is used to issue control messages and perform high-level functions, while VME crates containing appropriate modules (primarily DACs, ADCs and digital I/O boards) control the devices. The controllers in the VME crates are AEON rtVAX modules running a real-time operating system. Communication with the VAXstation is via DECnet, on a private ethernet to allow communication rates unaffected by unrelated network activity and potentially increasing the security of the system by providing a possible network isolation point. Also on this ethernet are a number of terminal servers to control RS232 devices. A central database contains all device control and monitoring parameters. The main control process running on the VAXstation is responsible for maintaining the current values of the parameters in the database and for dispatching control messages to the appropriate VME crate or RS232 serial line. Separate graphical interface processes allow the operator to interact with the control process, communicating through shared memory. Many graphics processes can be active simultaneously, displaying either on a single or on multiple terminals. Software running on the rtVAX controllers handles the low-level device-specific control by translating messages from the main control process to VME commands which set hardware outputs on VME modules. Similarly, requests for the value of a parameter result in the rtVAX program

  15. A framework for different levels of integration of computational models into web-based virtual patients.

    Science.gov (United States)

    Kononowicz, Andrzej A; Narracott, Andrew J; Manini, Simone; Bayley, Martin J; Lawford, Patricia V; McCormack, Keith; Zary, Nabil

    2014-01-23

    Virtual patients are increasingly common tools used in health care education to foster learning of clinical reasoning skills. One potential way to expand their functionality is to augment virtual patients' interactivity by enriching them with computational models of physiological and pathological processes. The primary goal of this paper was to propose a conceptual framework for the integration of computational models within virtual patients, with particular focus on (1) characteristics to be addressed while preparing the integration, (2) the extent of the integration, (3) strategies to achieve integration, and (4) methods for evaluating the feasibility of integration. An additional goal was to pilot the first investigation of changing framework variables on altering perceptions of integration. The framework was constructed using an iterative process informed by Soft System Methodology. The Virtual Physiological Human (VPH) initiative has been used as a source of new computational models. The technical challenges associated with development of virtual patients enhanced by computational models are discussed from the perspectives of a number of different stakeholders. Concrete design and evaluation steps are discussed in the context of an exemplar virtual patient employing the results of the VPH ARCH project, as well as improvements for future iterations. The proposed framework consists of four main elements. The first element is a list of feasibility features characterizing the integration process from three perspectives: the computational modelling researcher, the health care educationalist, and the virtual patient system developer. The second element included three integration levels: basic, where a single set of simulation outcomes is generated for specific nodes in the activity graph; intermediate, involving pre-generation of simulation datasets over a range of input parameters; advanced, including dynamic solution of the model. The third element is the

  16. Electrochemical materials and processes in Si integrated circuit technology

    Energy Technology Data Exchange (ETDEWEB)

    Dubin, V.M. [Intel Corp., Components Research, Hillsboro, OR 97124 (United States)]. E-mail: valery.m.dubin@intel.com; Akolkar, R. [Intel Corp., Components Research, Hillsboro, OR 97124 (United States); Cheng, C.C. [Intel Corp., Components Research, Hillsboro, OR 97124 (United States); Chebiam, R. [Intel Corp., Components Research, Hillsboro, OR 97124 (United States); Fajardo, A. [Intel Corp., Components Research, Hillsboro, OR 97124 (United States); Gstrein, F. [Intel Corp., Components Research, Hillsboro, OR 97124 (United States)

    2007-02-10

    Various technical issues related to feature scaling and recent electrochemical technologies advances for on-chip copper interconnects at Intel are reviewed. Effects of additives on electroplating, as well as performance of novel Cu direct plating on ruthenium liner are discussed. An electroless cobalt capping layer of Cu lines, which led to increased electromigration resistance, has been characterized. The potential application of carbon nanotubes as future interconnects materials, their properties and controlled placement by using dielectrophoresis are also reviewed.

  17. Role of materials accounting in integrated safeguards systems for reprocessing plants

    International Nuclear Information System (INIS)

    Hakkila, E.A.; Gutmacher, R.G.; Markin, J.T.; Shipley, J.P.; Whitty, W.J.

    1981-01-01

    Integration of materials accounting and containment/surveillance techniques for international safeguards requires careful examination and definition of suitable inspector activities for verification of operator's materials accounting data. The inspector's verification procedures are designed to protect against data falsification and/or the use of measurement uncertainties to conceal missing material. Materials accounting activities are developed to provide an effective international safeguards system when combined with containment/surveillance activities described in a companion paper

  18. ENEL overall PWR plant models and neutronic integrated computing systems

    International Nuclear Information System (INIS)

    Pedroni, G.; Pollachini, L.; Vimercati, G.; Cori, R.; Pretolani, F.; Spelta, S.

    1987-01-01

    To support the design activity of the Italian nuclear energy program for the construction of pressurized water reactors, the Italian Electricity Board (ENEL) needs to verify the design as a whole (that is, the nuclear steam supply system and balance of plant) both in steady-state operation and in transient. The ENEL has therefore developed two computer models to analyze both operational and incidental transients. The models, named STRIP and SFINCS, perform the analysis of the nuclear as well as the conventional part of the plant (the control system being properly taken into account). The STRIP model has been developed by means of the French (Electricite de France) modular code SICLE, while SFINCS is based on the Italian (ENEL) modular code LEGO. STRIP validation was performed with respect to Fessenheim French power plant experimental data. Two significant transients were chosen: load step and total load rejection. SFINCS validation was performed with respect to Saint-Laurent French power plant experimental data and also by comparing the SFINCS-STRIP responses

  19. An Integrated Soft Computing Approach to Hughes Syndrome Risk Assessment.

    Science.gov (United States)

    Vilhena, João; Rosário Martins, M; Vicente, Henrique; Grañeda, José M; Caldeira, Filomena; Gusmão, Rodrigo; Neves, João; Neves, José

    2017-03-01

    The AntiPhospholipid Syndrome (APS) is an acquired autoimmune disorder induced by high levels of antiphospholipid antibodies that cause arterial and veins thrombosis, as well as pregnancy-related complications and morbidity, as clinical manifestations. This autoimmune hypercoagulable state, usually known as Hughes syndrome, has severe consequences for the patients, being one of the main causes of thrombotic disorders and death. Therefore, it is required to be preventive; being aware of how probable is to have that kind of syndrome. Despite the updated of antiphospholipid syndrome classification, the diagnosis remains difficult to establish. Additional research on clinically relevant antibodies and standardization of their quantification are required in order to improve the antiphospholipid syndrome risk assessment. Thus, this work will focus on the development of a diagnosis decision support system in terms of a formal agenda built on a Logic Programming approach to knowledge representation and reasoning, complemented with a computational framework based on Artificial Neural Networks. The proposed model allows for improving the diagnosis, classifying properly the patients that really presented this pathology (sensitivity higher than 85%), as well as classifying the absence of APS (specificity close to 95%).

  20. Methodology for coupling computational fluid dynamics and integral transport neutronics

    International Nuclear Information System (INIS)

    Thomas, J. W.; Zhong, Z.; Sofu, T.; Downar, T. J.

    2004-01-01

    The CFD code STAR-CD was coupled to the integral transport code DeCART in order to provide high-fidelity, full physics reactor simulations. An interface program was developed to perform the tasks of mapping the STAR-CD mesh to the DeCART mesh, managing all communication between STAR-CD and DeCART, and monitoring the convergence of the coupled calculations. The interface software was validated by comparing coupled calculation results with those obtained using an independently developed interface program. An investigation into the convergence characteristics of coupled calculations was performed using several test models on a multiprocessor LINUX cluster. The results indicate that the optimal convergence of the coupled field calculation depends on several factors, to include the tolerance of the STAR-CD solution and the number of DeCART transport sweeps performed before exchanging data between codes. Results for a 3D, multi-assembly PWR problem on 12 PEs of the LINUX cluster indicate the best performance is achieved when the STAR-CD tolerance and number of DeCART transport sweeps are chosen such that the two fields converge at approximately the same rate. (authors)

  1. Experimental assessment of computer codes used for safety analysis of integral reactors

    Energy Technology Data Exchange (ETDEWEB)

    Falkov, A.A.; Kuul, V.S.; Samoilov, O.B. [OKB Mechanical Engineering, Nizhny Novgorod (Russian Federation)

    1995-09-01

    Peculiarities of integral reactor thermohydraulics in accidents are associated with presence of noncondensable gas in built-in pressurizer, absence of pumped ECCS, use of guard vessel for LOCAs localisation and passive RHRS through in-reactor HX`s. These features defined the main trends in experimental investigations and verification efforts for computer codes applied. The paper reviews briefly the performed experimental investigation of thermohydraulics of AST-500, VPBER600-type integral reactors. The characteristic of UROVEN/MB-3 code for LOCAs analysis in integral reactors and results of its verification are given. The assessment of RELAP5/mod3 applicability for accident analysis in integral reactor is presented.

  2. 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)

  3. Critical Issues Forum: A multidisciplinary educational program integrating computer technology

    Energy Technology Data Exchange (ETDEWEB)

    Alexander, R.J.; Robertson, B.; Jacobs, D. [Los Alamos National Lab., NM (United States)

    1998-09-01

    The Critical Issues Forum (CIF) funded by the US Department of Energy is a collaborative effort between the Science Education Team of Los Alamos National Laboratory (LANL) and New Mexico high schools to improve science education throughout the state of New Mexico as well as nationally. By creating an education relationship between the LANL with its unique scientific resources and New Mexico high schools, students and teachers participate in programs that increase not only their science content knowledge but also their critical thinking and problem-solving skills. The CIF program focuses on current, globally oriented topics crucial to the security of not only the US but to that of all nations. The CIF is an academic-year program that involves both teachers and students in the process of seeking solutions for real world concerns. Built around issues tied to LANL`s mission, participating students and teachers are asked to critically investigate and examine the interactions among the political, social, economic, and scientific domains while considering diversity issues that include geopolitical entities and cultural and ethnic groupings. Participants are expected to collaborate through telecommunications during the research phase and participate in a culminating multimedia activity, where they produce and deliver recommendations for the current issues being studied. The CIF was evaluated and found to be an effective approach for teacher professional training, especially in the development of skills for critical thinking and questioning. The CIF contributed to students` ability to integrate diverse disciplinary content about science-related topics and supported teachers in facilitating the understanding of their students using the CIF approach. Networking technology in CIF has been used as an information repository, resource delivery mechanism, and communication medium.

  4. Integration of Magneto-Optical Materials for Novel Optical Devices & Magnetophotonic Crystals, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This work proposes to capitalize on our Phase I success in monolithically integrating magneto-optic and magnetic materials with semiconductor platforms in order to...

  5. Effects of planar element formulation and numerical integration order on checkerboard material layouts

    CSIR Research Space (South Africa)

    Long, CS

    2009-01-01

    Full Text Available The effects of selected planar finite element formulations, and their associated integration schemes, on the stiffness of a checkerboard material layout are investigated. Standard 4-node bilinear elements, 8- and 9-node quadratic elements, as well...

  6. Preliminary Design and Investigation of Integrated Compressor with Composite Material Wheel

    Science.gov (United States)

    Wang, Jifeng; Müller, Norbert

    2012-06-01

    An integrated water vapor compressor with composite material wheel is developed and strength analysis using FEM is presented. The design of wound composite material allows for integrating all rotating parts of the drive that may simply reduce to only the rotor of the electrical motor, since no drive shaft is required anymore. This design can reduce the number of parts and mass, which is convenient for engineers to maintain the compressor. The electrical motors are brushless DC motors operating through a frequency drive and apply a torque on the wheels through the materials bonded in the wheel shrouds. This system allows a large amount of compression to be produced in a multi-stage compression setup. To determine the stress and vibration characteristics of this integrated compressor, numerical analysis is carried out using FEM. The simulation result shows that the integrated compressor with composite material wheel can be used in a chiller system where water as a refrigerant.

  7. Integrated assessment of structural materials deterioration for NUPLEX evaluations

    International Nuclear Information System (INIS)

    Lapides, M.E.; Carey, J.

    1987-01-01

    Nuclear Plant Life Extension (NUPLEX) is a management decision process that focuses on defining risks and rewards associated with extending the service life of a nuclear unit. After some preliminary screening activities, management is specifically concerned with defining the trade-offs among maintenance, repairs, and replacements that are most likely to provide economically attractive service for the desired extended period. These strategic maintenance decisions are usually dictated by what is known or not known about long-term deterioration effects. Such issues are usually not evident in our design experience base or in current codes and standards. One can choose to examine them as isolated phenomena - or in some manner that fosters an integrated perspective deriving from various specialized views. While there is much to be said for each method, the unique timing and decision requirements of NUPLEX favor the latter approach. This paper illustrates why this approach is being pursued and explains its status

  8. Non-von Neumann computing using plasmon particles interacting with phase change materials (Conference Presentation)

    Science.gov (United States)

    Saiki, Toshiharu

    2016-09-01

    Control of localized surface plasmon resonance (LSPR) excited on metal nanostructures has drawn attention for applications in dynamic switching of plasmonic devices. As a reversible active media for LSPR control, chalcogenide phase-change materials (PCMs) such as GeSbTe (GST) are promising for high-contrast robust plasmonic switching. Owing to the plasticity and the threshold behavior during both amorphization and crystallization of PCMs, PCM-based LSPR switching elements possess a dual functionality of memory and processing. Integration of LSPR switching elements so that they interact with each other will allow us to build non-von-Neumann computing devices. As a specific demonstration, we discuss the implementation of a cellular automata (CA) algorithm into interacting LSPR switching elements. In the model we propose, PCM cells, which can be in one of two states (amorphous and crystalline), interact with each other by being linked by a AuNR, whose LSPR peak wavelength is determined by the phase of PCM cells on the both sides. The CA program proceeds by irradiating with a light pulse train. The local rule set is defined by the temperature rise in the PCM cells induced by the LSPR of the AuNR, which is subject to the intensity and wavelength of the irradiating pulse. We also investigate the possibility of solving a problem analogous to the spin-glass problem by using a coupled dipole system, in which the individual coupling strengths can be modified to optimize the system so that the exact solution can be easily reached. For this algorithm, we propose an implementation based on an idea that coupled plasmon particles can create long-range spatial correlations, and the interaction of this with a phase-change material allows the coupling strength to be modified.

  9. Combinatorial materials synthesis and high-throughput screening: an integrated materials chip approach to mapping phase diagrams and discovery and optimization of functional materials.

    Science.gov (United States)

    Xiang, X D

    Combinatorial materials synthesis methods and high-throughput evaluation techniques have been developed to accelerate the process of materials discovery and optimization and phase-diagram mapping. Analogous to integrated circuit chips, integrated materials chips containing thousands of discrete different compositions or continuous phase diagrams, often in the form of high-quality epitaxial thin films, can be fabricated and screened for interesting properties. Microspot x-ray method, various optical measurement techniques, and a novel evanescent microwave microscope have been used to characterize the structural, optical, magnetic, and electrical properties of samples on the materials chips. These techniques are routinely used to discover/optimize and map phase diagrams of ferroelectric, dielectric, optical, magnetic, and superconducting materials.

  10. Copyright and Computer Generated Materials – Is it Time to Reboot the Discussion About Authorship?

    Directory of Open Access Journals (Sweden)

    Anne Fitzgerald

    2013-12-01

    Full Text Available Computer generated materials are ubiquitous and we encounter them on a daily basis, even though most people are unaware that this is the case. Blockbuster movies, television weather reports and telephone directories all include material that is produced by utilising computer technologies. Copyright protection for materials generated by a programmed computer was considered by the Federal Court and Full Court of the Federal Court in Telstra Corporation Limited v Phone Directories Company Pty Ltd.  The court held that the White and Yellow pages telephone directories produced by Telstra and its subsidiary, Sensis, were not protected by copyright because they were computer-generated works which lacked the requisite human authorship.The Copyright Act 1968 (Cth does not contain specific provisions on the subsistence of copyright in computer-generated materials. Although the issue of copyright protection for computer-generated materials has been examined in Australia on two separate occasions by independently-constituted Copyright Law Review Committees over a period of 10 years (1988 to 1998, the Committees’ recommendations for legislative clarification by the enactment of specific amendments to the Copyright Act have not yet been implemented and the legal position remains unclear. In the light of the decision of the Full Federal Court in Telstra v Phone Directories it is timely to consider whether specific provisions should be enacted to clarify the position of computer-generated works under copyright law and, in particular, whether the requirement of human authorship for original works protected under Part III of the Copyright Act should now be reconceptualised to align with the realities of how copyright materials are created in the digital era.

  11. Contamination aspects in integrating high dielectric constant and ferroelectric materials into CMOS processes

    OpenAIRE

    Boubekeur, Hocine

    2004-01-01

    n memory technology, new materials are being intensively investigated to overcome the integration limits of conventional dielectrics for Giga-bit scale integration, or to be able to produce new types of non-volatile low power memories such as FeRAM. Perovskite type high dielectric constant films for use in Giga-bit scale memories or layered perovskite films for use in non-volatile memories involve materials to semiconductor process flows, which entail a high risk of contamination. The introdu...

  12. Integration of distributed plant process computer systems to nuclear power generation facilities

    International Nuclear Information System (INIS)

    Bogard, T.; Finlay, K.

    1996-01-01

    Many operating nuclear power generation facilities are replacing their plant process computer. Such replacement projects are driven by equipment obsolescence issues and associated objectives to improve plant operability, increase plant information access, improve man machine interface characteristics, and reduce operation and maintenance costs. This paper describes a few recently completed and on-going replacement projects with emphasis upon the application integrated distributed plant process computer systems. By presenting a few recent projects, the variations of distributed systems design show how various configurations can address needs for flexibility, open architecture, and integration of technological advancements in instrumentation and control technology. Architectural considerations for optimal integration of the plant process computer and plant process instrumentation ampersand control are evident from variations of design features

  13. Computer simulation of thermal and fluid systems for MIUS integration and subsystems test /MIST/ laboratory. [Modular Integrated Utility System

    Science.gov (United States)

    Rochelle, W. C.; Liu, D. K.; Nunnery, W. J., Jr.; Brandli, A. E.

    1975-01-01

    This paper describes the application of the SINDA (systems improved numerical differencing analyzer) computer program to simulate the operation of the NASA/JSC MIUS integration and subsystems test (MIST) laboratory. The MIST laboratory is designed to test the integration capability of the following subsystems of a modular integrated utility system (MIUS): (1) electric power generation, (2) space heating and cooling, (3) solid waste disposal, (4) potable water supply, and (5) waste water treatment. The SINDA/MIST computer model is designed to simulate the response of these subsystems to externally impressed loads. The computer model determines the amount of recovered waste heat from the prime mover exhaust, water jacket and oil/aftercooler and from the incinerator. This recovered waste heat is used in the model to heat potable water, for space heating, absorption air conditioning, waste water sterilization, and to provide for thermal storage. The details of the thermal and fluid simulation of MIST including the system configuration, modes of operation modeled, SINDA model characteristics and the results of several analyses are described.

  14. An introduction to NASA's advanced computing program: Integrated computing systems in advanced multichip modules

    Science.gov (United States)

    Fang, Wai-Chi; Alkalai, Leon

    1996-01-01

    Recent changes within NASA's space exploration program favor the design, implementation, and operation of low cost, lightweight, small and micro spacecraft with multiple launches per year. In order to meet the future needs of these missions with regard to the use of spacecraft microelectronics, NASA's advanced flight computing (AFC) program is currently considering industrial cooperation and advanced packaging architectures. In relation to this, the AFC program is reviewed, considering the design and implementation of NASA's AFC multichip module.

  15. Double crystal monochromator controlled by integrated computing on BL07A in New SUBARU, Japan

    Energy Technology Data Exchange (ETDEWEB)

    Okui, Masato, E-mail: okui@kohzu.co.jp [Kohzu Precision Co., Ltd., 2-6-15, Kurigi, Asao-ku, Kawasaki-shi, Kanagawa 215-8521 (Japan); Laboratory of Advanced Science and Technology for Industry, University of Hyogo (Japan); Yato, Naoki; Watanabe, Akinobu; Lin, Baiming; Murayama, Norio [Kohzu Precision Co., Ltd., 2-6-15, Kurigi, Asao-ku, Kawasaki-shi, Kanagawa 215-8521 (Japan); Fukushima, Sei, E-mail: FUKUSHIMA.Sei@nims.go.jp [Laboratory of Advanced Science and Technology for Industry, University of Hyogo (Japan); National Institute for Material Sciences (Japan); Kanda, Kazuhiro [Laboratory of Advanced Science and Technology for Industry, University of Hyogo (Japan)

    2016-07-27

    The BL07A beamline in New SUBARU, University of Hyogo, has been used for many studies of new materials. A new double crystal monochromator controlled by integrated computing was designed and installed in the beamline in 2014. In this report we will discuss the unique features of this new monochromator, MKZ-7NS. This monochromator was not designed exclusively for use in BL07A; on the contrary, it was designed to be installed at low cost in various beamlines to facilitate the industrial applications of medium-scale synchrotron radiation facilities. Thus, the design of the monochromator utilized common packages that can satisfy the wide variety of specifications required at different synchrotron radiation facilities. This monochromator can be easily optimized for any beamline due to the fact that a few control parameters can be suitably customized. The beam offset can be fixed precisely even if one of the two slave axes is omitted. This design reduces the convolution of mechanical errors. Moreover, the monochromator’s control mechanism is very compact, making it possible to reduce the size of the vacuum chamber can be made smaller.

  16. Integration of active pauses and pattern of muscular activity during computer work.

    Science.gov (United States)

    St-Onge, Nancy; Samani, Afshin; Madeleine, Pascal

    2017-09-01

    Submaximal isometric muscle contractions have been reported to increase variability of muscle activation during computer work; however, other types of active contractions may be more beneficial. Our objective was to determine which type of active pause vs. rest is more efficient in changing muscle activity pattern during a computer task. Asymptomatic regular computer users performed a standardised 20-min computer task four times, integrating a different type of pause: sub-maximal isometric contraction, dynamic contraction, postural exercise and rest. Surface electromyographic (SEMG) activity was recorded bilaterally from five neck/shoulder muscles. Root-mean-square decreased with isometric pauses in the cervical paraspinals, upper trapezius and middle trapezius, whereas it increased with rest. Variability in the pattern of muscular activity was not affected by any type of pause. Overall, no detrimental effects on the level of SEMG during active pauses were found suggesting that they could be implemented without a cost on activation level or variability. Practitioner Summary: We aimed to determine which type of active pause vs. rest is best in changing muscle activity pattern during a computer task. Asymptomatic computer users performed a standardised computer task integrating different types of pauses. Muscle activation decreased with isometric pauses in neck/shoulder muscles, suggesting their implementation during computer work.

  17. Application of Computer Simulation to Identify Erosion Resistance of Materials of Wet-steam Turbine Blades

    Science.gov (United States)

    Korostelyov, D. A.; Dergachyov, K. V.

    2017-10-01

    A problem of identifying the efficiency of using materials, coatings, linings and solderings of wet-steam turbine rotor blades by means of computer simulation is considered. Numerical experiments to define erosion resistance of materials of wet-steam turbine blades are described. Kinetic curves for erosion area and weight of the worn rotor blade material of turbines K-300-240 LMP and atomic icebreaker “Lenin” have been defined. The conclusion about the effectiveness of using different erosion-resistant materials and protection configuration of rotor blades is also made.

  18. A new 3-D integral code for computation of accelerator magnets

    International Nuclear Information System (INIS)

    Turner, L.R.; Kettunen, L.

    1991-01-01

    For computing accelerator magnets, integral codes have several advantages over finite element codes; far-field boundaries are treated automatically, and computed field in the bore region satisfy Maxwell's equations exactly. A new integral code employing edge elements rather than nodal elements has overcome the difficulties associated with earlier integral codes. By the use of field integrals (potential differences) as solution variables, the number of unknowns is reduced to one less than the number of nodes. Two examples, a hollow iron sphere and the dipole magnet of Advanced Photon Source injector synchrotron, show the capability of the code. The CPU time requirements are comparable to those of three-dimensional (3-D) finite-element codes. Experiments show that in practice it can realize much of the potential CPU time saving that parallel processing makes possible. 8 refs., 4 figs., 1 tab

  19. Beller Lectureship: Materials for Li & Na Batteries :A Computational Materials Science Point of View

    Science.gov (United States)

    Ahuja, Rajeev

    Energy storage has been a theme for scientists for two hundred years. The Lead acid battery research on batteries occupied some of the best minds of 19th century. Plante in 1859 invented lead acid battery which starts your car and ignites internal combustion which takes over the propulsion. Although the lead battery is over 150 years old but the origin of its open circuit voltage (OCV) of 2.1 V is still known. In present talk, I will show how one can explain the origin of OCV of 2.1 V based on foundations of relativistic quantum mechanics. Surprisingly, seems to be the first time its chemistry has been theoretically modeled from the first principles. The main message of this work is that most of the electro-motoric force of the common lead battery comes from relativistic effects. In second part, I will provide an overview of the most recent theoretical studies undertaken by us in the field of materials for Li & Na ion batteries. For selected examples, I will show how ab initio calculations can be of use in the effort to reach a better understanding of battery materials and to occasionally also guide the search for new promising materials.

  20. Computer algebra in quantum field theory integration, summation and special functions

    CERN Document Server

    Schneider, Carsten

    2013-01-01

    The book focuses on advanced computer algebra methods and special functions that have striking applications in the context of quantum field theory. It presents the state of the art and new methods for (infinite) multiple sums, multiple integrals, in particular Feynman integrals, difference and differential equations in the format of survey articles. The presented techniques emerge from interdisciplinary fields: mathematics, computer science and theoretical physics; the articles are written by mathematicians and physicists with the goal that both groups can learn from the other field, including

  1. Computational Modelling of the Structural Integrity following Mass-Loss in Polymeric Charred Cellular Solids

    OpenAIRE

    J. P. M. Whitty; J. Francis; J. Howe; B. Henderson

    2014-01-01

    A novel computational technique is presented for embedding mass-loss due to burning into the ANSYS finite element modelling code. The approaches employ a range of computational modelling methods in order to provide more complete theoretical treatment of thermoelasticity absent from the literature for over six decades. Techniques are employed to evaluate structural integrity (namely, elastic moduli, Poisson’s ratios, and compressive brittle strength) of honeycomb systems known to approximate t...

  2. AI/OR computational model for integrating qualitative and quantitative design methods

    Science.gov (United States)

    Agogino, Alice M.; Bradley, Stephen R.; Cagan, Jonathan; Jain, Pramod; Michelena, Nestor

    1990-01-01

    A theoretical framework for integrating qualitative and numerical computational methods for optimally-directed design is described. The theory is presented as a computational model and features of implementations are summarized where appropriate. To demonstrate the versatility of the methodology we focus on four seemingly disparate aspects of the design process and their interaction: (1) conceptual design, (2) qualitative optimal design, (3) design innovation, and (4) numerical global optimization.

  3. Magnetostatic fields computed using an integral equation derived from Green's theorems

    International Nuclear Information System (INIS)

    Simkin, J.; Trowbridge, C.W.

    1976-04-01

    A method of computing magnetostatic fields is described that is based on a numerical solution of the integral equation obtained from Green's Theorems. The magnetic scalar potential and its normal derivative on the surfaces of volumes are found by solving a set of linear equations. These are obtained from Green's Second Theorem and the continuity conditions at interfaces between volumes. Results from a two-dimensional computer program are presented and these show the method to be accurate and efficient. (author)

  4. Blockchain-based database to ensure data integrity in cloud computing environments

    OpenAIRE

    Gaetani, Edoardo; Aniello, Leonardo; Baldoni, Roberto; Lombardi, Federico; Margheri, Andrea; Sassone, Vladimiro

    2017-01-01

    Data is nowadays an invaluable resource, indeed it guides all business decisions in most of the computer-aided human activities. Threats to data integrity are thus of paramount relevance, as tampering with data may maliciously affect crucial business decisions. This issue is especially true in cloud computing environments, where data owners cannot control fundamental data aspects, like the physical storage of data and the control of its accesses. Blockchain has recently emerged as a fascinati...

  5. Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation.

    Science.gov (United States)

    Berger, Robert F

    2018-02-09

    In the current decade, perovskite solar cell research has emerged as a remarkably active, promising, and rapidly developing field. Alongside breakthroughs in synthesis and device engineering, halide perovskite photovoltaic materials have been the subject of predictive and explanatory computational work. In this Minireview, we focus on a subset of this computation: density functional theory (DFT)-based work highlighting the ways in which the electronic structure and band gap of this class of materials can be tuned via changes in atomic structure. We distill this body of computational literature into a set of underlying design principles for the band gap engineering of these materials, and rationalize these principles from the viewpoint of band-edge orbital character. We hope that this perspective provides guidance and insight toward the rational design and continued improvement of perovskite photovoltaics. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Nuclides.net: An integrated environment for computations on radionuclides and their radiation

    International Nuclear Information System (INIS)

    Galy, J.; Magill, J.

    2002-01-01

    Full text: The Nuclides.net computational package is of direct interest in the fields of environment monitoring and nuclear forensics. The 'integrated environment' is a suite of computer programs ranging from a powerful user-friendly interface, which allows the user to navigate the nuclide chart and explore the properties of nuclides, to various computational modules for decay calculations, dosimetry and shielding calculations, etc. The main emphasis in Nuclides.net is on nuclear science applications, such as health physics, radioprotection and radiochemistry, rather than nuclear data for which excellent sources already exist. In contrast to the CD-based Nuclides 2000 predecessor, Nuclides.net applications run over the internet on a web server. The user interface to these applications is via a web browser. Information submitted by the user is sent to the appropriate applications resident on the web server. The results of the calculations are returned to the user, again via the browser. The product is aimed at both students and professionals for reference data on radionuclides and computations based on this data using the latest internet technology. It is particularly suitable for educational purposes in the nuclear industry, health physics and radiation protection, nuclear and radiochemistry, nuclear physics, astrophysics, etc. The Nuclides.net software suite contains the following modules/features: a) A new user interface to view the nuclide charts (with zoom features). Additional nuclide charts are based on spin, parity, binding energy etc. b) There are five main applications: (1) 'Decay Engine' for decay calculations of numbers, masses, activities, dose rates, etc. of parent and daughters. (2) 'Dosimetry and Shielding' module allows the calculation of dose rates from both unshielded and shielded point sources. A choice of 10 shield materials is available. (3) 'Virtual Nuclides' allows the user to do decay and dosimetry and shielding calculations on mixtures of

  7. Integral computer-generated hologram via a modified Gerchberg-Saxton algorithm

    International Nuclear Information System (INIS)

    Wu, Pei-Jung; Lin, Bor-Shyh; Chen, Chien-Yue; Huang, Guan-Syun; Deng, Qing-Long; Chang, Hsuan T

    2015-01-01

    An integral computer-generated hologram, which modulates the phase function of an object based on a modified Gerchberg–Saxton algorithm and compiles a digital cryptographic diagram with phase synthesis, is proposed in this study. When the diagram completes position demultiplexing decipherment, multi-angle elemental images can be reconstructed. Furthermore, an integral CGH with a depth of 225 mm and a visual angle of ±11° is projected through the lens array. (paper)

  8. Integration of Digital Dental Casts in Cone-Beam Computed Tomography Scans

    OpenAIRE

    Rangel, Frits A.; Maal, Thomas J. J.; Bergé, Stefaan J.; Kuijpers-Jagtman, Anne Marie

    2012-01-01

    Cone-beam computed tomography (CBCT) is widely used in maxillofacial surgery. The CBCT image of the dental arches, however, is of insufficient quality to use in digital planning of orthognathic surgery. Several authors have described methods to integrate digital dental casts into CBCT scans, but all reported methods have drawbacks. The aim of this feasibility study is to present a new simplified method to integrate digital dental casts into CBCT scans. In a patient scheduled for orthognathic ...

  9. Computation of conditional Wiener integrals by the composite approximation formulae with weight

    International Nuclear Information System (INIS)

    Lobanov, Yu.Yu.; Sidorova, O.V.; Zhidkov, E.P.

    1988-01-01

    New approximation formulae with weight for the functional integrals with conditional Wiener measure are derived. The formulae are exact on a class of polynomial functionals of a given degree. The convergence of approximations to the exact value of integral is proved, the estimate of the remainder is obtained. The results are illustrated with numerical examples. The advantages of the formulae over lattice Monte Carlo method are demonstrated in computation of some quantities in Euclidean quantum mechanics

  10. Review on processing of metal-organic framework (MOF) materials towards system integration for hydrogen storage

    CSIR Research Space (South Africa)

    Ren, Jianwei

    2014-09-01

    Full Text Available materials to form part of a practical hydrogen storage system, knowledge of the ‘processing’ techniques to improve the properties of the powders is essential. However, the processing routes of MOF materials towards system integration are rarely reviewed...

  11. 75 FR 69078 - Workshop To Review Draft Materials for the Lead (Pb) Integrated Science Assessment (ISA)

    Science.gov (United States)

    2010-11-10

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9224-7] Workshop To Review Draft Materials for the Lead (Pb) Integrated Science Assessment (ISA) AGENCY: Environmental Protection Agency (EPA). ACTION: Notice of Workshop... (NAAQS) for Lead (Pb), EPA is announcing that a workshop to evaluate initial draft materials for the Pb...

  12. Hybrid materials science: a promised land for the integrative design of multifunctional materials.

    Science.gov (United States)

    Nicole, Lionel; Laberty-Robert, Christel; Rozes, Laurence; Sanchez, Clément

    2014-06-21

    For more than 5000 years, organic-inorganic composite materials created by men via skill and serendipity have been part of human culture and customs. The concept of "hybrid organic-inorganic" nanocomposites exploded in the second half of the 20th century with the expansion of the so-called "chimie douce" which led to many collaborations between a large set of chemists, physicists and biologists. Consequently, the scientific melting pot of these very different scientific communities created a new pluridisciplinary school of thought. Today, the tremendous effort of basic research performed in the last twenty years allows tailor-made multifunctional hybrid materials with perfect control over composition, structure and shape. Some of these hybrid materials have already entered the industrial market. Many tailor-made multiscale hybrids are increasingly impacting numerous fields of applications: optics, catalysis, energy, environment, nanomedicine, etc. In the present feature article, we emphasize several fundamental and applied aspects of the hybrid materials field: bioreplication, mesostructured thin films, Lego-like chemistry designed hybrid nanocomposites, and advanced hybrid materials for energy. Finally, a few commercial applications of hybrid materials will be presented.

  13. Hybrid materials science: a promised land for the integrative design of multifunctional materials

    Science.gov (United States)

    Nicole, Lionel; Laberty-Robert, Christel; Rozes, Laurence; Sanchez, Clément

    2014-05-01

    For more than 5000 years, organic-inorganic composite materials created by men via skill and serendipity have been part of human culture and customs. The concept of ``hybrid organic-inorganic'' nanocomposites exploded in the second half of the 20th century with the expansion of the so-called ``chimie douce'' which led to many collaborations between a large set of chemists, physicists and biologists. Consequently, the scientific melting pot of these very different scientific communities created a new pluridisciplinary school of thought. Today, the tremendous effort of basic research performed in the last twenty years allows tailor-made multifunctional hybrid materials with perfect control over composition, structure and shape. Some of these hybrid materials have already entered the industrial market. Many tailor-made multiscale hybrids are increasingly impacting numerous fields of applications: optics, catalysis, energy, environment, nanomedicine, etc. In the present feature article, we emphasize several fundamental and applied aspects of the hybrid materials field: bioreplication, mesostructured thin films, Lego-like chemistry designed hybrid nanocomposites, and advanced hybrid materials for energy. Finally, a few commercial applications of hybrid materials will be presented.

  14. A specialized ODE integrator for the efficient computation of parameter sensitivities

    Directory of Open Access Journals (Sweden)

    Gonnet Pedro

    2012-05-01

    Full Text Available Abstract Background Dynamic mathematical models in the form of systems of ordinary differential equations (ODEs play an important role in systems biology. For any sufficiently complex model, the speed and accuracy of solving the ODEs by numerical integration is critical. This applies especially to systems identification problems where the parameter sensitivities must be integrated alongside the system variables. Although several very good general purpose ODE solvers exist, few of them compute the parameter sensitivities automatically. Results We present a novel integration algorithm that is based on second derivatives and contains other unique features such as improved error estimates. These features allow the integrator to take larger time steps than other methods. In practical applications, i.e. systems biology models of different sizes and behaviors, the method competes well with established integrators in solving the system equations, and it outperforms them significantly when local parameter sensitivities are evaluated. For ease-of-use, the solver is embedded in a framework that automatically generates the integrator input from an SBML description of the system of interest. Conclusions For future applications, comparatively ‘cheap’ parameter sensitivities will enable advances in solving large, otherwise computationally expensive parameter estimation and optimization problems. More generally, we argue that substantially better computational performance can be achieved by exploiting characteristics specific to the problem domain; elements of our methods such as the error estimation could find broader use in other, more general numerical algorithms.

  15. Integral Images: Efficient Algorithms for Their Computation and Storage in Resource-Constrained Embedded Vision Systems.

    Science.gov (United States)

    Ehsan, Shoaib; Clark, Adrian F; Naveed ur Rehman; McDonald-Maier, Klaus D

    2015-07-10

    The integral image, an intermediate image representation, has found extensive use in multi-scale local feature detection algorithms, such as Speeded-Up Robust Features (SURF), allowing fast computation of rectangular features at constant speed, independent of filter size. For resource-constrained real-time embedded vision systems, computation and storage of integral image presents several design challenges due to strict timing and hardware limitations. Although calculation of the integral image only consists of simple addition operations, the total number of operations is large owing to the generally large size of image data. Recursive equations allow substantial decrease in the number of operations but require calculation in a serial fashion. This paper presents two new hardware algorithms that are based on the decomposition of these recursive equations, allowing calculation of up to four integral image values in a row-parallel way without significantly increasing the number of operations. An efficient design strategy is also proposed for a parallel integral image computation unit to reduce the size of the required internal memory (nearly 35% for common HD video). Addressing the storage problem of integral image in embedded vision systems, the paper presents two algorithms which allow substantial decrease (at least 44.44%) in the memory requirements. Finally, the paper provides a case study that highlights the utility of the proposed architectures in embedded vision systems.

  16. Integral Images: Efficient Algorithms for Their Computation and Storage in Resource-Constrained Embedded Vision Systems

    Directory of Open Access Journals (Sweden)

    Shoaib Ehsan

    2015-07-01

    Full Text Available The integral image, an intermediate image representation, has found extensive use in multi-scale local feature detection algorithms, such as Speeded-Up Robust Features (SURF, allowing fast computation of rectangular features at constant speed, independent of filter size. For resource-constrained real-time embedded vision systems, computation and storage of integral image presents several design challenges due to strict timing and hardware limitations. Although calculation of the integral image only consists of simple addition operations, the total number of operations is large owing to the generally large size of image data. Recursive equations allow substantial decrease in the number of operations but require calculation in a serial fashion. This paper presents two new hardware algorithms that are based on the decomposition of these recursive equations, allowing calculation of up to four integral image values in a row-parallel way without significantly increasing the number of operations. An efficient design strategy is also proposed for a parallel integral image computation unit to reduce the size of the required internal memory (nearly 35% for common HD video. Addressing the storage problem of integral image in embedded vision systems, the paper presents two algorithms which allow substantial decrease (at least 44.44% in the memory requirements. Finally, the paper provides a case study that highlights the utility of the proposed architectures in embedded vision systems.

  17. BelleII@home: Integrate volunteer computing resources into DIRAC in a secure way

    Science.gov (United States)

    Wu, Wenjing; Hara, Takanori; Miyake, Hideki; Ueda, Ikuo; Kan, Wenxiao; Urquijo, Phillip

    2017-10-01

    The exploitation of volunteer computing resources has become a popular practice in the HEP computing community as the huge amount of potential computing power it provides. In the recent HEP experiments, the grid middleware has been used to organize the services and the resources, however it relies heavily on the X.509 authentication, which is contradictory to the untrusted feature of volunteer computing resources, therefore one big challenge to utilize the volunteer computing resources is how to integrate them into the grid middleware in a secure way. The DIRAC interware which is commonly used as the major component of the grid computing infrastructure for several HEP experiments proposes an even bigger challenge to this paradox as its pilot is more closely coupled with operations requiring the X.509 authentication compared to the implementations of pilot in its peer grid interware. The Belle II experiment is a B-factory experiment at KEK, and it uses DIRAC for its distributed computing. In the project of BelleII@home, in order to integrate the volunteer computing resources into the Belle II distributed computing platform in a secure way, we adopted a new approach which detaches the payload running from the Belle II DIRAC pilot which is a customized pilot pulling and processing jobs from the Belle II distributed computing platform, so that the payload can run on volunteer computers without requiring any X.509 authentication. In this approach we developed a gateway service running on a trusted server which handles all the operations requiring the X.509 authentication. So far, we have developed and deployed the prototype of BelleII@home, and tested its full workflow which proves the feasibility of this approach. This approach can also be applied on HPC systems whose work nodes do not have outbound connectivity to interact with the DIRAC system in general.

  18. Computational Modelling of Materials for Wind Turbine Blades: Selected DTUWind Energy Activities

    DEFF Research Database (Denmark)

    Mikkelsen, Lars Pilgaard; Mishnaevsky, Leon

    2017-01-01

    Computational and analytical studies of degradation of wind turbine blade materials at the macro-, micro-, and nanoscale carried out by the modelling team of the Section Composites and Materials Mechanics, Department of Wind Energy, DTU, are reviewed. Examples of the analysis of the microstructural...... effects on the strength and fatigue life of composites are shown. Computational studies of degradation mechanisms of wind blade composites under tensile and compressive loading are presented. The effect of hybrid and nanoengineered structures on the performance of the composite was studied...

  19. Advances in computational dynamics of particles, materials and structures a unified approach

    CERN Document Server

    Har, Jason

    2012-01-01

    Computational methods for the modeling and simulation of the dynamic response and behavior of particles, materials and structural systems have had a profound influence on science, engineering and technology. Complex science and engineering applications dealing with complicated structural geometries and materials that would be very difficult to treat using analytical methods have been successfully simulated using computational tools. With the incorporation of quantum, molecular and biological mechanics into new models, these methods are poised to play an even bigger role in the future. Ad

  20. COMPUTING

    CERN Multimedia

    M. Kasemann

    Overview During the past three months activities were focused on data operations, testing and re-enforcing shift and operational procedures for data production and transfer, MC production and on user support. Planning of the computing resources in view of the new LHC calendar in ongoing. Two new task forces were created for supporting the integration work: Site Commissioning, which develops tools helping distributed sites to monitor job and data workflows, and Analysis Support, collecting the user experience and feedback during analysis activities and developing tools to increase efficiency. The development plan for DMWM for 2009/2011 was developed at the beginning of the year, based on the requirements from the Physics, Computing and Offline groups (see Offline section). The Computing management meeting at FermiLab on February 19th and 20th was an excellent opportunity discussing the impact and for addressing issues and solutions to the main challenges facing CMS computing. The lack of manpower is particul...

  1. The application of J integral to measure cohesive laws in materials undergoing large scale yielding

    DEFF Research Database (Denmark)

    Sørensen, Bent F.; Goutianos, Stergios

    2015-01-01

    We explore the possibility of determining cohesive laws by the J-integral approach for materials having non-linear stress-strain behaviour (e.g. polymers and composites) by the use of a DCB sandwich specimen, consisting of stiff elastic beams bonded to the non-linear test material, loaded with pure...... bending moments. For a wide range of parameters of the non-linear material, the plastic unloading during crack extension is small, resulting in J integral values (fracture resistance) that deviate maximum 15% from the work of the cohesive traction. Thus the method can be used to extract the cohesive laws...... directly from experiments without any presumption about their shape. Finally, the DCB sandwich specimen was also analysed using the I integral to quantify the overestimation of the steady-state fracture resistance obtained using the J integral based method....

  2. An integrated approach to selecting materials for fuel cladding in advanced high-temperature reactors

    Energy Technology Data Exchange (ETDEWEB)

    Rangacharyulu, C., E-mail: chary.r@usask.ca [Univ. of Saskatchewan, Saskatoon, SK (Canada); Guzonas, D.A.; Pencer, J.; Nava-Dominguez, A.; Leung, L.K.H. [Atomic Energy of Canada Limited, Chalk River, ON (Canada)

    2014-07-01

    An integrated approach has been developed for selection of fuel cladding materials for advanced high-temperature reactors. Reactor physics, thermalhydraulic and material analyses are being integrated in a systematic study comparing various candidate fuel-cladding alloys. The analyses established the axial and radial neutron fluxes, power distributions, axial and radial temperature distributions, rates of defect formation and helium production using AECL analytical toolsets and experimentally measured corrosion rates to optimize the material composition for fuel cladding. The project has just been initiated at University of Saskatchewan. Some preliminary results of the analyses are presented together with the path forward for the project. (author)

  3. What does materiality mean to integrated reporting preparers? An empirical exploration

    OpenAIRE

    Lai, Alessandro; Melloni, Gaia; Stacchezzini, Riccardo

    2017-01-01

    Purpose—This paper seeks to understand how the principle of materiality gets implemented in integrated reporting contexts. Design/methodology/approach—Drawing on an interpretation of materiality as a social construction, this research explores the meaning that practitioners attach to the principle during their implementation of it. Following an existing framework for exploring materiality in corporate reporting, this study investigates the meaning by focusing on who participates in determinin...

  4. Novel Material Integration for Reliable and Energy-Efficient NEM Relay Technology

    Science.gov (United States)

    Chen, I.-Ru

    Energy-efficient switching devices have become ever more important with the emergence of ubiquitous computing. NEM relays are promising to complement CMOS transistors as circuit building blocks for future ultra-low-power information processing, and as such have recently attracted significant attention from the semiconductor industry and researchers. Relay technology potentially can overcome the energy efficiency limit for conventional CMOS technology due to several key characteristics, including zero OFF-state leakage, abrupt switching behavior, and potentially very low active energy consumption. However, two key issues must be addressed for relay technology to reach its full potential: surface oxide formation at the contacting surfaces leading to increased ON-state resistance after switching, and high switching voltages due to strain gradient present within the relay structure. This dissertation advances NEM relay technology by investigating solutions to both of these pressing issues. Ruthenium, whose native oxide is conductive, is proposed as the contacting material to improve relay ON-state resistance stability. Ruthenium-contact relays are fabricated after overcoming several process integration challenges, and show superior ON-state resistance stability in electrical measurements and extended device lifetime. The relay structural film is optimized via stress matching among all layers within the structure, to provide lower strain gradient (below 10E-3/microm -1) and hence lower switching voltage. These advancements in relay technology, along with the integration of a metallic interconnect layer, enable complex relay-based circuit demonstration. In addition to the experimental efforts, this dissertation theoretically analyzes the energy efficiency limit of a NEM switch, which is generally believed to be limited by the surface adhesion energy. New compact (electronic device technology.

  5. A portable grid-enabled computing system for a nuclear material study

    International Nuclear Information System (INIS)

    Tsujita, Yuichi; Arima, Tatsumi; Takekawa, Takayuki; Suzuki, Yoshio

    2010-01-01

    We have built a portable grid-enabled computing system specialized for our molecular dynamics (MD) simulation program to study Pu material easily. Experimental approach to reveal properties of Pu materials is often accompanied by some difficulties such as radiotoxicity of actinides. Since a computational approach reveals new aspects to researchers without such radioactive facilities, we address an MD computation. In order to have more realistic results about e.g., melting point or thermal conductivity, we need a large scale of parallel computations. Most of application users who don't have supercomputers in their institutes should use a remote supercomputer. For such users, we have developed the portable and secured grid-enabled computing system to utilize a grid computing infrastructure provided by Information Technology Based Laboratory (ITBL). This system enables us to access remote supercomputers in the ITBL system seamlessly from a client PC through its graphical user interface (GUI). Typically it enables seamless file accesses on the GUI. Furthermore monitoring of standard output or standard error is available to see progress of an executed program. Since the system provides fruitful functionalities which are useful for parallel computing on a remote supercomputer, application users can concentrate on their researches. (author)

  6. Computer processing of nuclear material data in the German Democratic Republic - as of August 1980

    International Nuclear Information System (INIS)

    Burmester, M.; Helming, M.

    1981-01-01

    A description is given of the computer-based processing of safeguards information within the frame of the State System of Accounting for and Control of Nuclear Material. Software includes the programmes ICR, PILMBR, LISTE, POL, DELE and SIP which produce the required reports to the IAEA on magnetic type and in the form of printouts, and provide a series of relevant information and data essentially facilitating the fulfilment of national obligations in the field of nuclear material control. (author)

  7. Design, development and integration of a large scale multiple source X-ray computed tomography system

    International Nuclear Information System (INIS)

    Malcolm, Andrew A.; Liu, Tong; Ng, Ivan Kee Beng; Teng, Wei Yuen; Yap, Tsi Tung; Wan, Siew Ping; Kong, Chun Jeng

    2013-01-01

    X-ray Computed Tomography (CT) allows visualisation of the physical structures in the interior of an object without physically opening or cutting it. This technology supports a wide range of applications in the non-destructive testing, failure analysis or performance evaluation of industrial products and components. Of the numerous factors that influence the performance characteristics of an X-ray CT system the energy level in the X-ray spectrum to be used is one of the most significant. The ability of the X-ray beam to penetrate a given thickness of a specific material is directly related to the maximum available energy level in the beam. Higher energy levels allow penetration of thicker components made of more dense materials. In response to local industry demand and in support of on-going research activity in the area of 3D X-ray imaging for industrial inspection the Singapore Institute of Manufacturing Technology (SIMTech) engaged in the design, development and integration of large scale multiple source X-ray computed tomography system based on X-ray sources operating at higher energies than previously available in the Institute. The system consists of a large area direct digital X-ray detector (410 x 410 mm), a multiple-axis manipulator system, a 225 kV open tube microfocus X-ray source and a 450 kV closed tube millifocus X-ray source. The 225 kV X-ray source can be operated in either transmission or reflection mode. The body of the 6-axis manipulator system is fabricated from heavy-duty steel onto which high precision linear and rotary motors have been mounted in order to achieve high accuracy, stability and repeatability. A source-detector distance of up to 2.5 m can be achieved. The system is controlled by a proprietary X-ray CT operating system developed by SIMTech. The system currently can accommodate samples up to 0.5 x 0.5 x 0.5 m in size with weight up to 50 kg. These specifications will be increased to 1.0 x 1.0 x 1.0 m and 100 kg in future

  8. Applications integration in a hybrid cloud computing environment: modelling and platform

    Science.gov (United States)

    Li, Qing; Wang, Ze-yuan; Li, Wei-hua; Li, Jun; Wang, Cheng; Du, Rui-yang

    2013-08-01

    With the development of application services providers and cloud computing, more and more small- and medium-sized business enterprises use software services and even infrastructure services provided by professional information service companies to replace all or part of their information systems (ISs). These information service companies provide applications, such as data storage, computing processes, document sharing and even management information system services as public resources to support the business process management of their customers. However, no cloud computing service vendor can satisfy the full functional IS requirements of an enterprise. As a result, enterprises often have to simultaneously use systems distributed in different clouds and their intra enterprise ISs. Thus, this article presents a framework to integrate applications deployed in public clouds and intra ISs. A run-time platform is developed and a cross-computing environment process modelling technique is also developed to improve the feasibility of ISs under hybrid cloud computing environments.

  9. MPL-A program for computations with iterated integrals on moduli spaces of curves of genus zero

    Science.gov (United States)

    Bogner, Christian

    2016-06-01

    We introduce the Maple program MPL for computations with multiple polylogarithms. The program is based on homotopy invariant iterated integrals on moduli spaces M0,n of curves of genus 0 with n ordered marked points. It includes the symbol map and procedures for the analytic computation of period integrals on M0,n. It supports the automated computation of a certain class of Feynman integrals.

  10. Computational Analysis of Material Flow During Friction Stir Welding of AA5059 Aluminum Alloys

    Science.gov (United States)

    Grujicic, M.; Arakere, G.; Pandurangan, B.; Ochterbeck, J. M.; Yen, C.-F.; Cheeseman, B. A.; Reynolds, A. P.; Sutton, M. A.

    2012-09-01

    Workpiece material flow and stirring/mixing during the friction stir welding (FSW) process are investigated computationally. Within the numerical model of the FSW process, the FSW tool is treated as a Lagrangian component while the workpiece material is treated as an Eulerian component. The employed coupled Eulerian/Lagrangian computational analysis of the welding process was of a two-way thermo-mechanical character (i.e., frictional-sliding/plastic-work dissipation is taken to act as a heat source in the thermal-energy balance equation) while temperature is allowed to affect mechanical aspects of the model through temperature-dependent material properties. The workpiece material (AA5059, solid-solution strengthened and strain-hardened aluminum alloy) is represented using a modified version of the classical Johnson-Cook model (within which the strain-hardening term is augmented to take into account for the effect of dynamic recrystallization) while the FSW tool material (AISI H13 tool steel) is modeled as an isotropic linear-elastic material. Within the analysis, the effects of some of the FSW key process parameters are investigated (e.g., weld pitch, tool tilt-angle, and the tool pin-size). The results pertaining to the material flow during FSW are compared with their experimental counterparts. It is found that, for the most part, experimentally observed material-flow characteristics are reproduced within the current FSW-process model.

  11. INTEGRATION OF COMPUTER TECHNOLOGIES SMK: AUTOMATION OF THE PRODUCTION CERTIFICA-TION PROCEDURE AND FORMING OF SHIPPING DOCUMENTS

    Directory of Open Access Journals (Sweden)

    S. A. Pavlenko

    2009-01-01

    Full Text Available Integration of informational computer technologies allowed to reorganize and optimize some processes due to decrease of circulation of documents, unification of documentation forms and others.

  12. The Gap between Expectations and Reality: Integrating Computers into Mathematics Classrooms

    Science.gov (United States)

    Guven, Bulent; Cakiroglu, Unal; Akkan, Yasar

    2009-01-01

    As a result of dramatic changes in mathematics education around the world, in Turkey both elementary and secondary school mathematics curriculums have changed in the light of new demands since 2005. In order to perform the expected change in newly developed curriculum, computer should be integrated into learning and teaching process. Teachers'…

  13. Variables that Affect Math Teacher Candidates' Intentions to Integrate Computer-Assisted Mathematics Education (CAME)

    Science.gov (United States)

    Erdogan, Ahmet

    2010-01-01

    Based on Social Cognitive Carier Theory (SCCT) (Lent, Brown, & Hackett, 1994, 2002), this study tested the effects of mathematics teacher candidates' self-efficacy in, outcome expectations from, and interest in CAME on their intentions to integrate Computer-Assisted Mathematics Education (CAME). While mathematics teacher candidates' outcome…

  14. Pedagogical Factors Affecting Integration of Computers in Mathematics Instruction in Secondary Schools in Kenya

    Science.gov (United States)

    Wanjala, Martin M. S.; Aurah, Catherine M.; Symon, Koros C.

    2015-01-01

    The paper reports findings of a study which sought to examine the pedagogical factors that affect the integration of computers in mathematics instruction as perceived by teachers in secondary schools in Kenya. This study was based on the Technology Acceptance Model (TAM). A descriptive survey design was used for this study. Stratified and simple…

  15. A City Parking Integration System Combined with Cloud Computing Technologies and Smart Mobile Devices

    Science.gov (United States)

    Yeh, Her-Tyan; Chen, Bing-Chang; Wang, Bo-Xun

    2016-01-01

    The current study applied cloud computing technology and smart mobile devices combined with a streaming server for parking lots to plan a city parking integration system. It is also equipped with a parking search system, parking navigation system, parking reservation service, and car retrieval service. With this system, users can quickly find…

  16. An Integrated Teaching Method of Gross Anatomy and Computed Tomography Radiology

    Science.gov (United States)

    Murakami, Tohru; Tajika, Yuki; Ueno, Hitoshi; Awata, Sachiko; Hirasawa, Satoshi; Sugimoto, Maki; Kominato, Yoshihiko; Tsushima, Yoshito; Endo, Keigo; Yorifuji, Hiroshi

    2014-01-01

    It is essential for medical students to learn and comprehend human anatomy in three dimensions (3D). With this in mind, a new system was designed in order to integrate anatomical dissections with diagnostic computed tomography (CT) radiology. Cadavers were scanned by CT scanners, and students then consulted the postmortem CT images during cadaver…

  17. Integration of digital dental casts in cone-beam computed tomography scans

    NARCIS (Netherlands)

    Rangel, F.A.; Maal, T.J.J.; Berge, S.J.; Kuijpers-Jagtman, A.M.

    2012-01-01

    Cone-beam computed tomography (CBCT) is widely used in maxillofacial surgery. The CBCT image of the dental arches, however, is of insufficient quality to use in digital planning of orthognathic surgery. Several authors have described methods to integrate digital dental casts into CBCT scans, but all

  18. Existence and computation of equilibria of first-price auctions with integral valuations and bids

    DEFF Research Database (Denmark)

    Escamocher, Guillaume; Miltersen, Peter Bro; Santillan, Rocio

    2009-01-01

    We consider existence and computation of symmetric Pure Strategy Nash Equilibrium (PSNE) in single-item, sealed-bid, first-price auctions with integral valuations and bids. For the most general case, we show that existence of PSNE is NP-hard. Then, we present algorithmic results for the case...

  19. Integration of Computers into the Medical School Curriculum: An Example from a Microbiology Course.

    Science.gov (United States)

    Platt, Mark W.; And Others

    1994-01-01

    While the use of computers has become widespread in recent years, a unified, integrated approach to their use in the medical school curriculum has not yet emerged. Describes a program at the University of New Mexico that will phase-in computerization of its curriculum beginning in the fall of 1993. (LZ)

  20. High-Performance Computing in Neuroscience for Data-Driven Discovery, Integration, and Dissemination

    International Nuclear Information System (INIS)

    Bouchard, Kristofer E.

    2016-01-01

    A lack of coherent plans to analyze, manage, and understand data threatens the various opportunities offered by new neuro-technologies. High-performance computing will allow exploratory analysis of massive datasets stored in standardized formats, hosted in open repositories, and integrated with simulations.

  1. Maintaining Pedagogical Integrity of a Computer Mediated Course Delivery in Social Foundations

    Science.gov (United States)

    Stewart, Shelley; Cobb-Roberts, Deirdre; Shircliffe, Barbara J.

    2013-01-01

    Transforming a face to face course to a computer mediated format in social foundations (interdisciplinary field in education), while maintaining pedagogical integrity, involves strategic collaboration between instructional technologists and content area experts. This type of planned partnership requires open dialogue and a mutual respect for prior…

  2. Computer software design description for the integrated control and data acquisition system LDUA system

    International Nuclear Information System (INIS)

    Aftanas, B.L.

    1998-01-01

    This Computer Software Design Description (CSDD) document provides the overview of the software design for all the software that is part of the integrated control and data acquisition system of the Light Duty Utility Arm System (LDUA). It describes the major software components and how they interface. It also references the documents that contain the detailed design description of the components

  3. Barriers to the Integration of Computers in Early Childhood Settings: Teachers' Perceptions

    Science.gov (United States)

    Nikolopoulou, Kleopatra; Gialamas, Vasilis

    2015-01-01

    This study investigated teachers' perceptions of barriers to using - integrating computers in early childhood settings. A 26-item questionnaire was administered to 134 early childhood teachers in Greece. Lack of funding, lack of technical and administrative support, as well as inadequate training opportunities were among the major perceived…

  4. Global optimization for integrated design and control of computationally expensive process models

    NARCIS (Netherlands)

    Egea, J.A.; Vries, D.; Alonso, A.A.; Banga, J.R.

    2007-01-01

    The problem of integrated design and control optimization of process plants is discussed in this paper. We consider it as a nonlinear programming problem subject to differential-algebraic constraints. This class of problems is frequently multimodal and "costly" (i.e., computationally expensive to

  5. Addressing the 21st Century Paradox: Integrating Entrepreneurship in the Computer Information Systems Curriculum

    Science.gov (United States)

    Lang, Guido; Babb, Jeffry

    2015-01-01

    The Computer Information Systems (CIS) discipline faces an identity crisis: although demand for CIS graduates is growing, student enrollment is either in decline, or is at least soft or flat in many cases. This has been referred to as the 21st century paradox. As one solution to this problem, we propose to integrate entrepreneurship in the CIS…

  6. The Social Dimension of Computer-Integrated Manufacturing: An Extended Comment.

    Science.gov (United States)

    Badham, Richard J.

    1991-01-01

    The effect of computer-integrated manufacturing (CIM) on working conditions depends on the way in which the technologies are designed to fit operator requirements, work organization, and organizational objectives. Recent attempts to promote skill-based human-centered approaches to CIM design are aimed at introducing humane working conditions…

  7. Measuring and Supporting Pre-Service Teachers' Self-Efficacy towards Computers, Teaching, and Technology Integration

    Science.gov (United States)

    Killi, Carita; Kauppinen, Merja; Coiro, Julie; Utriainen, Jukka

    2016-01-01

    This paper reports on two studies designed to examine pre-service teachers' self-efficacy beliefs. Study I investigated the measurement properties of a self-efficacy beliefs questionnaire comprising scales for computer self-efficacy, teacher self-efficacy, and self-efficacy towards technology integration. In Study I, 200 pre-service teachers…

  8. Computer Technology-Integrated Projects Should Not Supplant Craft Projects in Science Education

    Science.gov (United States)

    Klopp, Tabatha J.; Rule, Audrey C.; Schneider, Jean Suchsland; Boody, Robert M.

    2014-01-01

    The current emphasis on computer technology integration and narrowing of the curriculum has displaced arts and crafts. However, the hands-on, concrete nature of craft work in science modeling enables students to understand difficult concepts and to be engaged and motivated while learning spatial, logical, and sequential thinking skills. Analogy…

  9. Design of a Nanoscale, CMOS-Integrable, Thermal-Guiding Structure for Boolean-Logic and Neuromorphic Computation.

    Science.gov (United States)

    Loke, Desmond; Skelton, Jonathan M; Chong, Tow-Chong; Elliott, Stephen R

    2016-12-21

    One of the requirements for achieving faster CMOS electronics is to mitigate the unacceptably large chip areas required to steer heat away from or, more recently, toward the critical nodes of state-of-the-art devices. Thermal-guiding (TG) structures can efficiently direct heat by "meta-materials" engineering; however, some key aspects of the behavior of these systems are not fully understood. Here, we demonstrate control of the thermal-diffusion properties of TG structures by using nanometer-scale, CMOS-integrable, graphene-on-silica stacked materials through finite-element-methods simulations. It has been shown that it is possible to implement novel, controllable, thermally based Boolean-logic and spike-timing-dependent plasticity operations for advanced (neuromorphic) computing applications using such thermal-guide architectures.

  10. Production integrated nondestructive testing of composite materials and material compounds - an overview

    Science.gov (United States)

    Straß, B.; Conrad, C.; Wolter, B.

    2017-03-01

    Composite materials and material compounds are of increasing importance, because of the steadily rising relevance of resource saving lightweight constructions. Quality assurance with appropriate Nondestructive Testing (NDT) methods is a key aspect for reliable and efficient production. Quality changes have to be detected already in the manufacturing flow in order to take adequate corrective actions. For materials and compounds the classical NDT methods for defectoscopy, like X-ray and Ultrasound (US) are still predominant. Nevertheless, meanwhile fast, contactless NDT methods, like air-borne ultrasound, dynamic thermography and special Eddy-Current techniques are available in order to detect cracks, voids, pores and delaminations but also for characterizing fiber content, distribution and alignment. In Metal-Matrix Composites US back-scattering can be used for this purpose. US run-time measurements allow the detection of thermal stresses at the metal-matrix interface. Another important area is the necessity for NDT in joining. To achieve an optimum material utilization and product safety as well as the best possible production efficiency, there is a need for NDT methods for in-line inspection of the joint quality while joining or immediately afterwards. For this purpose EMAT (Electromagnetic Acoustic Transducer) technique or Acoustic Emission testing can be used.

  11. A conceptual design of multidisciplinary-integrated C.F.D. simulation on parallel computers

    International Nuclear Information System (INIS)

    Onishi, Ryoichi; Ohta, Takashi; Kimura, Toshiya.

    1996-11-01

    A design of a parallel aeroelastic code for aircraft integrated simulations is conducted. The method for integrating aerodynamics and structural dynamics software on parallel computers is devised by using the Euler/Navier-Stokes equations coupled with wing-box finite element structures. A synthesis of modern aircraft requires the optimizations of aerodynamics, structures, controls, operabilities, or other design disciplines, and the R and D efforts to implement Multidisciplinary Design Optimization environments using high performance computers are made especially among the U.S. aerospace industries. This report describes a Multiple Program Multiple Data (MPMD) parallelization of aerodynamics and structural dynamics codes with a dynamic deformation grid. A three-dimensional computation of a flowfield with dynamic deformation caused by a structural deformation is performed, and a pressure data calculated is used for a computation of the structural deformation which is input again to a fluid dynamics code. This process is repeated exchanging the computed data of pressures and deformations between flowfield grids and structural elements. It enables to simulate the structure movements which take into account of the interaction of fluid and structure. The conceptual design for achieving the aforementioned various functions is reported. Also the future extensions to incorporate control systems, which enable to simulate a realistic aircraft configuration to be a major tool for Aircraft Integrated Simulation, are investigated. (author)

  12. Comparing the influence of spectro-temporal integration in computational speech segregation

    DEFF Research Database (Denmark)

    Bentsen, Thomas; May, Tobias; Kressner, Abigail Anne

    2016-01-01

    The goal of computational speech segregation systems is to automatically segregate a target speaker from interfering maskers. Typically, these systems include a feature extraction stage in the front-end and a classification stage in the back-end. A spectrotemporal integration strategy can...... be applied in either the frontend, using the so-called delta features, or in the back-end, using a second classifier that exploits the posterior probability of speech from the first classifier across a spectro-temporal window. This study systematically analyzes the influence of such stages on segregation...... metric that comprehensively predicts computational segregation performance and correlates well with intelligibility. The outcome of this study could help to identify the most effective spectro-temporal integration strategy for computational segregation systems....

  13. Integrating Micro-computers with a Centralized DBMS: ORACLE, SEED AND INGRES

    Science.gov (United States)

    Hoerger, J.

    1984-01-01

    Users of ADABAS, a relational-like data base management system (ADABAS) with its data base programming language (NATURAL) are acquiring microcomputers with hopes of solving their individual word processing, office automation, decision support, and simple data processing problems. As processor speeds, memory sizes, and disk storage capacities increase, individual departments begin to maintain "their own" data base on "their own" micro-computer. This situation can adversely affect several of the primary goals set for implementing a centralized DBMS. In order to avoid this potential problem, these micro-computers must be integrated with the centralized DBMS. An easy to use and flexible means for transferring logic data base files between the central data base machine and micro-computers must be provided. Some of the problems encounted in an effort to accomplish this integration and possible solutions are discussed.

  14. Integration of a browser based operator manual in the system environment of a process computer system

    International Nuclear Information System (INIS)

    Weber, Andreas; Erfle, Robert; Feinkohl, Dirk

    2012-01-01

    The integration of a browser based operator manual in the system environment of a process computer system is an optimization of the operating procedure in the control room and a safety enhancement due to faster and error-free access to the manual contents. Several requirements by the authorities have to be fulfilled: the operating manual has to be available as hard copy, the format has to be true to original, protection against manipulation has to be provided, the manual content of the browser-based version and the hard copy have to identical, and the display presentation has to be consistent with ergonomic principals. The integration of the on-line manual in the surveillance process computer system provides the operator with the relevant comments to the surveillance signal. The described integration of the on-line manual is an optimization of the operator's everyday job with respect to ergonomics and safety (human performance).

  15. Using InTeGrate materials to develop interdisciplinary thinking for a sustainable future

    Science.gov (United States)

    Awad, A. A.; Gilbert, L.; Iverson, E. A. R.; Manduca, C. A.; Steer, D. N.

    2017-12-01

    InTeGrate materials focus on societal grand challenges, sustainability, and interdisciplinary problems through developing geoscientific habits of mind, the use of credible data, and systems thinking. The materials are freely available 2-3 week modules and courses that allow instructors to focus on a wide variety of topics from regulating carbon emissions, changing biosphere, and storms and community resilience to environmental justice, ocean sustainability, and humans' dependence on mineral resources, integrating a variety of relevant interdisciplinary activities throughout. Presented with interdisciplinary approaches, students learn with tools to integrate engineering, policy, economics, and social aspects with the science to address the challenges. Students' ability to apply interdisciplinary approaches to address sustainability problems is made visible through the essays they write as a part of the materials assessment. InTeGrate modules have been adopted and implemented by faculty members interested in sustainability themes and innovative pedagogy, and have reached more than 50,000 students in all 50 states, Puerto Rico, India, and Micronesia. Student data were collected from 533 assessment essays in 57 undergraduate classes. The essays required students to describe a global challenge in an interdisciplinary manner through identifying scientific implications, and connecting it to economic, social and policy decisions. Students also completed a second essay assessing their systems thinking ability, a geoscience literacy exam (GLE), and demographic and attitudinal surveys. Scores for students enrolled in classes using InTeGrate materials were compared to scores from students in similar classes that did not use InteGrate materials. The InTeGrate and control groups had equivalent GLE scores and demographic characteristics. Essay scores for students in InTeGrate introductory or majors courses outperformed students in comparable level control courses as measured by

  16. Electronic cleansing for computed tomography (CT) colonography using a scale-invariant three-material model

    NARCIS (Netherlands)

    Serlie, Iwo W. O.; Vos, Frans M.; Truyen, Roel; Post, Frits H.; Stoker, Jaap; van Vliet, Lucas J.

    2010-01-01

    A well-known reading pitfall in computed tomography (CT) colonography is posed by artifacts at T-junctions, i.e., locations where air-fluid levels interface with the colon wall. This paper presents a scale-invariant method to determine material fractions in voxels near such T-junctions. The proposed

  17. Experimental investigation of surface determination process on multi-material components for dimensional computed tomography

    DEFF Research Database (Denmark)

    Borges de Oliveira, Fabrício; Stolfi, Alessandro; Bartscher, Markus

    2016-01-01

    The possibility of measuring multi-material components, while assessing inner and outer features simultaneously makes X-ray computed tomography (CT) the latest evolution in the field of coordinate measurement systems (CMSs). However, the difficulty in selecting suitable scanning parameters and su...

  18. The Effects of Computer Assisted Instruction Materials on Approximate Number Skills of Students with Dyscalculia

    Science.gov (United States)

    Mutlu, Yilmaz; Akgün, Levent

    2017-01-01

    The aim of this study is to examine the effects of computer assisted instruction materials on approximate number skills of students with mathematics learning difficulties. The study was carried out with pretest-posttest quasi experimental method with a single subject. The participants of the study consist of a girl and two boys who attend 3rd…

  19. Study of Material Flow of End-of-Life Computer Equipment (e-wastes ...

    African Journals Online (AJOL)

    In this study, a material flow model for the analysis of e-waste generation from computer equipment in Kaduna and Abuja in Nigeria has been developed and compared with that of Lagos which has been studied earlier. Data used to develop the models are the sales data from major distributors of electronics in the study ...

  20. Multilevel integration of patternable low-κ material into advanced Cu BEOL

    Science.gov (United States)

    Lin, Qinghuang; Chen, S. T.; Nelson, A.; Brock, P.; Cohen, S.; Davis, B.; Fuller, N.; Kaplan, R.; Kwong, R.; Liniger, E.; Neumayer, D.; Patel, J.; Shobha, H.; Sooriyakumaran, R.; Purushothaman, S.; Spooner, T.; Miller, R.; Allen, R.; Wisnieff, R.

    2010-04-01

    In this paper, we wish to report, for the first time, on a simple, low-cost, novel way to form dual-damascene copper (Cu) on-chip interconnect or Back-End-Of-the-Line (BEOL) structures using a patternable low dielectric constant (low-κ) dielectric material concept. A patternable low-κ dielectric material combines the functions of a traditional resist and a dielectric material into one single material. It acts as a traditional resist during patterning and is subsequently converted to a low-κ dielectric material during a post-patterning curing process. No sacrificial materials (separate resists or hardmasks) and their related deposition, pattern transfer (etch) and removal (strip) are required to form dual-damascene BEOL patterns. We have successfully demonstrated multi-level dual-damascene integration of a novel patternable low-κ dielectric material into advanced Cu BEOL. This κ=2.7 patternable low-κ material is based on the industry standard SiCOH-based (silsesquioxane polymer) material platform and is compatible with 248 nm optical lithography. Multilevel integration of this patternable low-κ material at 45 nm node Cu BEOL fatwire levels has been demonstrated with very high electrical yields using the current manufacturing infrastructure.