WorldWideScience

Sample records for computational material design

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. Designing Material Materialising Design

    DEFF Research Database (Denmark)

    Nicholas, Paul

    2013-01-01

    Designing Material Materialising Design documents five projects developed at the Centre for Information Technology and Architecture (CITA) at the Royal Danish Academy of Fine Arts, School of Architecture. These projects explore the idea that new designed materials might require new design methods....... Focusing on fibre reinforced composites, this book sustains an exploration into the design and making of elastically tailored architectural structures that rely on the use of computational design to predict sensitive interdependencies between geometry and behaviour. Developing novel concepts...

  15. 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

  16. 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...

  17. 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...

  18. Excel Computational Design Tool: Multifunctional Structure-Battery Materials

    National Research Council Canada - National Science Library

    Thomas, James

    2003-01-01

    .... SBDT is implemented in Excel spreadsheet form and is capable of analyzing composite designs with several cross-section geometries including circular-annular rectangular-annular, arbitrary-box, and multilayers...

  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. 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.

  1. 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.

  2. 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.

  3. 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...

  4. 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.

  5. Materials by design: An experimental and computational investigation on the microanatomy arrangement of porous metallic glasses

    International Nuclear Information System (INIS)

    Sarac, Baran; Klusemann, Benjamin; Xiao, Tao; Bargmann, Swantje

    2014-01-01

    The correlation of a material’s structure with its properties is one of the important unresolved issues in materials science research. This paper discusses a novel experimental and computational approach by which the influence of the pores on the mechanical properties of bulk metallic glasses (BMGs) can be systematically and quantitatively analyzed. The experimental stage involves the fabrication of a template whose pore configurations are pre-determined by computer-aided design tools, and replication of the designed patterns with BMGs. Quasi-static mechanical characterization of these complex microstructures is conducted under uniaxial tension and in-plane compression. For the numerical simulations, a non-local gradient-enhanced continuum mechanical model is established, using thermodynamic principles and periodic boundary conditions. The combination of the experimental and numerical results has identified the importance of the pore configuration, overall porosity and diameter to the spacing ratio of the pores to attain optimized material properties

  6. Computer-Aided Design of Materials for use under High Temperature Operating Condition

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopal, K. R.; Rao, I. J.

    2010-01-31

    The procedures in place for producing materials in order to optimize their performance with respect to creep characteristics, oxidation resistance, elevation of melting point, thermal and electrical conductivity and other thermal and electrical properties are essentially trial and error experimentation that tend to be tremendously time consuming and expensive. A computational approach has been developed that can replace the trial and error procedures in order that one can efficiently design and engineer materials based on the application in question can lead to enhanced performance of the material, significant decrease in costs and cut down the time necessary to produce such materials. The work has relevance to the design and manufacture of turbine blades operating at high operating temperature, development of armor and missiles heads; corrosion resistant tanks and containers, better conductors of electricity, and the numerous other applications that are envisaged for specially structured nanocrystalline solids. A robust thermodynamic framework is developed within which the computational approach is developed. The procedure takes into account microstructural features such as the dislocation density, lattice mismatch, stacking faults, volume fractions of inclusions, interfacial area, etc. A robust model for single crystal superalloys that takes into account the microstructure of the alloy within the context of a continuum model is developed. Having developed the model, we then implement in a computational scheme using the software ABAQUS/STANDARD. The results of the simulation are compared against experimental data in realistic geometries.

  7. 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.

  8. 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.

  9. A computational framework for the optimal design of morphing processes in locally activated smart material structures

    International Nuclear Information System (INIS)

    Wang, Shuang; Brigham, John C

    2012-01-01

    A proof-of-concept study is presented for a strategy to obtain maximally efficient and accurate morphing structures composed of active materials such as shape memory polymers (SMP) through synchronization of adaptable and localized activation and actuation. The work focuses on structures or structural components entirely composed of thermo-responsive SMP, and particularly utilizes the ability of such materials to display controllable variable stiffness. The study presents and employs a computational inverse mechanics approach that combines a computational representation of the SMP thermo-mechanical behavior with a nonlinear optimization algorithm to determine location, magnitude and sequencing of the activation and actuation to obtain a desired shape change subject to design objectives such as prevention of damage. Two numerical examples are presented in which the synchronization of the activation and actuation and the location of activation excitation were optimized with respect to the combined thermal and mechanical energy for design concepts in morphing skeletal structural components. In all cases the concept of localized activation along with the optimal design strategy were able to produce far more energy efficient morphing structures and more accurately reach the desired shape change in comparison to traditional methods that require complete structural activation prior to actuation. (paper)

  10. 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...

  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. 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.

  13. Advanced computational simulation for design and manufacturing of lightweight material components for automotive applications

    Energy Technology Data Exchange (ETDEWEB)

    Simunovic, S.; Aramayo, G.A.; Zacharia, T. [Oak Ridge National Lab., TN (United States); Toridis, T.G. [George Washington Univ., Washington, DC (United States); Bandak, F.; Ragland, C.L. [Dept. of Transportation, Washington, DC (United States)

    1997-04-01

    Computational vehicle models for the analysis of lightweight material performance in automobiles have been developed through collaboration between Oak Ridge National Laboratory, the National Highway Transportation Safety Administration, and George Washington University. The vehicle models have been verified against experimental data obtained from vehicle collisions. The crashed vehicles were analyzed, and the main impact energy dissipation mechanisms were identified and characterized. Important structural parts were extracted and digitized and directly compared with simulation results. High-performance computing played a key role in the model development because it allowed for rapid computational simulations and model modifications. The deformation of the computational model shows a very good agreement with the experiments. This report documents the modifications made to the computational model and relates them to the observations and findings on the test vehicle. Procedural guidelines are also provided that the authors believe need to be followed to create realistic models of passenger vehicles that could be used to evaluate the performance of lightweight materials in automotive structural components.

  14. Data mining for materials design: A computational study of single molecule magnet

    Energy Technology Data Exchange (ETDEWEB)

    Dam, Hieu Chi [Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Faculty of Physics, Vietnam National University, 334 Nguyen Trai, Hanoi (Viet Nam); Pham, Tien Lam; Ho, Tu Bao [Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Nguyen, Anh Tuan [Faculty of Physics, Vietnam National University, 334 Nguyen Trai, Hanoi (Viet Nam); Nguyen, Viet Cuong [HPC Systems, Inc., 3-9-15 Kaigan, Minato-ku, Tokyo 108-0022 (Japan)

    2014-01-28

    We develop a method that combines data mining and first principles calculation to guide the designing of distorted cubane Mn{sup 4+} Mn {sub 3}{sup 3+} single molecule magnets. The essential idea of the method is a process consisting of sparse regressions and cross-validation for analyzing calculated data of the materials. The method allows us to demonstrate that the exchange coupling between Mn{sup 4+} and Mn{sup 3+} ions can be predicted from the electronegativities of constituent ligands and the structural features of the molecule by a linear regression model with high accuracy. The relations between the structural features and magnetic properties of the materials are quantitatively and consistently evaluated and presented by a graph. We also discuss the properties of the materials and guide the material design basing on the obtained results.

  15. High School Students' Written Argumentation Qualities with Problem-Based Computer-Aided Material (PBCAM) Designed about Human Endocrine System

    Science.gov (United States)

    Vekli, Gülsah Sezen; Çimer, Atilla

    2017-01-01

    This study investigated development of students' scientific argumentation levels in the applications made with Problem-Based Computer-Aided Material (PBCAM) designed about Human Endocrine System. The case study method was used: The study group was formed of 43 students in the 11th grade of the science high school in Rize. Human Endocrine System…

  16. 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

  17. 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....

  18. Design a computational program to calculate the composition variations of nuclear materials in the reactor operations

    International Nuclear Information System (INIS)

    Mohmmadnia, Meysam; Pazirandeh, Ali; Sedighi, Mostafa; Bahabadi, Mohammad Hassan Jalili; Tayefi, Shima

    2013-01-01

    Highlights: ► The atomic densities of light and heavy materials are calculated. ► The solution is obtained using Runge–Kutta–Fehlberg method. ► The material depletion is calculated for constant flux and constant power condition. - Abstract: The present work investigates an appropriate way to calculate the variations of nuclides composition in the reactor core during operations. Specific Software has been designed for this purpose using C#. The mathematical approach is based on the solution of Bateman differential equations using a Runge–Kutta–Fehlberg method. Material depletion at constant flux and constant power can be calculated with this software. The inputs include reactor power, time step, initial and final times, order of Taylor Series to calculate time dependent flux, time unit, core material composition at initial condition (consists of light and heavy radioactive materials), acceptable error criterion, decay constants library, cross sections database and calculation type (constant flux or constant power). The atomic density of light and heavy fission products during reactor operation is obtained with high accuracy as the program outputs. The results from this method compared with analytical solution show good agreements

  19. Application of computational methods to the design and characterisation of porous molecular materials.

    Science.gov (United States)

    Evans, Jack D; Jelfs, Kim E; Day, Graeme M; Doonan, Christian J

    2017-06-06

    Composed from discrete units, porous molecular materials (PMMs) possess unique properties not observed for conventional, extended, solids, such as solution processibility and permanent porosity in the liquid phase. However, identifying the origin of porosity is not a trivial process, especially for amorphous or liquid phases. Furthermore, the assembly of molecular components is typically governed by a subtle balance of weak intermolecular forces that makes structure prediction challenging. Accordingly, in this review we canvass the crucial role of molecular simulations in the characterisation and design of PMMs. We will outline strategies for modelling porosity in crystalline, amorphous and liquid phases and also describe the state-of-the-art methods used for high-throughput screening of large datasets to identify materials that exhibit novel performance characteristics.

  20. Biomimicry in Product Design through Materials Selection and Computer Aided Engineering

    Science.gov (United States)

    Alexandridis, G.; Tzetzis, D.; Kyratsis, P.

    2016-11-01

    The aim of this study is to demonstrate a 7-step methodology that describes the way nature can act as a source of inspiration for the design and the development of a product. Furthermore, it suggests special computerized tools and methods for the product optimization regarding its environmental impact i.e. material selection, production methods. For validation purposes, a garden chaise lounge that imitates the form of a scorpion was developed as a result for the case study and the presentation of the current methodology.

  1. Computer-assisted Biology Learning Materials: Designing and Developing an Interactive CD on Spermatogenesis

    Science.gov (United States)

    Haviz, M.

    2018-04-01

    The purpose of this article is to design and develop an interactive CD on spermatogenesis. This is a research and development. Procedure of development is making an outline of media program, making flowchart, making story board, gathering of materials, programming and finishing. The quantitative data obtained were analyzed by descriptive statistics. Qualitative data obtained were analyzed with Miles and Huberman techniques. The instrument used is a validation sheet. The result of CD design with a Macro flash MX program shows there are 17 slides generated. This prototype obtained a valid value after a self-review technique with many revisions, especially on sound and programming. This finding suggests that process-oriented spermatogenesis can be audio-visualized into a more comprehensive form of learning media. But this interactive CD product needs further testing to determine consistency and resistance to revisions.

  2. Computational nano-materials design for high-TC ferromagnetism in wide-gap magnetic semiconductors

    International Nuclear Information System (INIS)

    Katayama-Yoshida, H.; Sato, K.; Fukushima, T.; Toyoda, M.; Kizaki, H.; Dinh, V.A.; Dederichs, P.H.

    2007-01-01

    We propose materials design of high-T C wide band-gap dilute magnetic semiconductors (DMSs) based on first-principles calculations by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method. First, we discuss a unified physical picture of ferromagnetism in II-VI and III-V DMSs and show that DMS family is categorized into two groups depending on the electronic structure. One is the system where Zener's double exchange mechanism dominates in the ferromagnetic interaction, and in the other systems Zener's p-d exchange mechanism dominates. Next, we develop an accurate method for T C calculation for the DMSs and show that the mean field approximation completely fails to predict Curie temperature of DMS in particular for wide-gap DMS where the exchange interaction is short-ranged. The calculated T C of homogeneous DMSs by using the present method agrees very well with available experimental values. For more realistic material design, we simulate spinodal nano-decomposition by applying the Monte Carlo method to the Ising model with ab initio chemical pair interactions between magnetic impurities in DMS. It is found that by controlling the dimensionality of the decomposition various characteristic phases occur in DMS such as 3D Dairiseki-phase and 1D Konbu-phase, and it is suggested that super-paramagnetic blocking phenomena should be important to understand the magnetism of wide-gap DMS. Based on the present simulations for spinodal nano-decomposition, we propose a new crystal growth method of positioning by seeding and shape controlling method in 100 Tera-bit density of nano-magnets in the semiconductor matrix with high-T C (or high-T B )

  3. 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...

  4. Computational Screening for Design of Optimal Coating Materials to Suppress Gas Evolution in Li-Ion Battery Cathodes.

    Science.gov (United States)

    Min, Kyoungmin; Seo, Seung-Woo; Choi, Byungjin; Park, Kwangjin; Cho, Eunseog

    2017-05-31

    Ni-rich layered oxides are attractive materials owing to their potentially high capacity for cathode applications. However, when used as cathodes in Li-ion batteries, they contain a large amount of Li residues, which degrade the electrochemical properties because they are the source of gas generation inside the battery. Here, we propose a computational approach to designing optimal coating materials that prevent gas evolution by removing residual Li from the surface of the battery cathode. To discover promising coating materials, the reactions of 16 metal phosphates (MPs) and 45 metal oxides (MOs) with the Li residues, LiOH, and Li 2 CO 3 are examined within a thermodynamic framework. A materials database is constructed according to density functional theory using a hybrid functional, and the reaction products are obtained according to the phases in thermodynamic equilibrium in the phase diagram. In addition, the gravimetric efficiency is calculated to identify coating materials that can eliminate Li residues with a minimal weight of the coating material. Overall, more MP and MO materials react with LiOH than with Li 2 CO 3 . Specifically, MPs exhibit better reactivity to both Li residues, whereas MOs react more with LiOH. The reaction products, such as Li-containing phosphates or oxides, are also obtained to identify the phases on the surface of a cathode after coating. On the basis of the Pareto-front analysis, P 2 O 5 could be an optimal material for the reaction with both Li residuals. Finally, the reactivity of the coating materials containing 3d/4d transition metal elements is better than that of materials containing other types of elements.

  5. Materials by design

    International Nuclear Information System (INIS)

    Eberhardt, J.; Hay, P.J.; Carpenter, J.A. Jr.

    1986-01-01

    Major developments in materials characterization instrumentation over the past decade have helped significantly to elucidate complex processes and phenomena connected with the microstructure of materials and interfacial interactions. Equally remarkable advances in theoretical models and computer technology also have been taking place during this period. These latter now permit, for example, in selected cases the computation of material structures and bonding and the prediction of some material properties. Two assessments of the state of the art of instrumental techniques and theoretical methods for the study of material structures and properties have recently been conducted. This paper discusses aspects from these assessments of computational theoretical methods apply to materials

  6. Computational testing and design of materials for wind energy and structural applications

    DEFF Research Database (Denmark)

    Mishnaevsky, Leon

    2012-01-01

    The requirements to wind turbine blades and other elements are quite high, In the ideal case, a wind turbine should work for 20.30 years without or with minimum maintenance. That is why the damage resistance and strength of wind blade materials is of great importance. A way to enhance the strengt...

  7. 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

  8. Virtual Reality for Materials Design Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — The purpose is to research and develop materials through applied virtual reality to enable interactive "materials-by-design." Extensive theoretical and computational...

  9. DESIGN OF MANUAL MATERIAL HANDLING SYSTEM THROUGH COMPUTER AIDED ERGONOMICS: A CASE STUDY AT BDTSC TEXTILE FIRM

    Directory of Open Access Journals (Sweden)

    Amare Matebu

    2014-12-01

    Full Text Available Designing of lifting, pushing and pulling activities based on the physical and physiological capabilities of the operators is essential. The purpose of this study is to analyze manual material handling (MMH working posture of the operators using 3D Static Strength Prediction Program (3DSSPP software and to identify major areas causing long last injury of operators. The research has investigated the fit between the demands of tasks and the capabilities of operators. At the existing situations, the actual capabilities of operators have been computed with the help of 3DSSPP software and compared with NIOSH standards. Accordingly, operators' working posture is at an unacceptable position that exposes them for musculoskeletal disorders. Then, after the improvement of the design of MMH device (cart's roller, the result showed that the forces required by the operators to push and pull the sliver cans have been reduced from 931.77 Newton to 194.23 Newton. Furthermore, improvement of MMH cart's roller has reduced the awkward posture of operators and the risk of musculoskeletal disorders. The improved manual material handling design also saves about 1828.40 ETB per month for the company.

  10. Animating Instructional Materials in Computer Education: An Approach to Designing and Teaching Concepts in Data Structures Using LATEX

    Directory of Open Access Journals (Sweden)

    Damilola Osikoya

    2012-08-01

    Full Text Available Animation gives a different perception on what is being visually presented. Research has shown that students are likely to understand what is being taught from the combination of animation and text than just with text. Students easily understand scientific concepts in narrative and animated forms. Data structure is a way of storing and arranging data. The efficacy of searching these stored data is very important, so is it vital that they are stored with the right algorithm. This paper presents animations designed to support teaching in computer education. Our main focus is to present controlled animated instructional materials in teaching topics in data structures. We have created three scientifically animated instructional materials in data structures consisting of the Stacks, Queues and Trees. These scientific spheres have been chosen to demonstrate the basic ideas of this work, because of its simplicity in representing the animations. We hope to develop reasonable sets of instructional material of different subject areas that will be stored in a database repository. These are intended to be delivered to students through an e-learning website and/or Mobile phones to support them with additional learning opportunities.

  11. Computational Design of Non-natural Sugar Alcohols to Increase Thermal Storage Density: Beyond Existing Organic Phase Change Materials.

    Science.gov (United States)

    Inagaki, Taichi; Ishida, Toyokazu

    2016-09-14

    Thermal storage, a technology that enables us to control thermal energy, makes it possible to reuse a huge amount of waste heat, and materials with the ability to treat larger thermal energy are in high demand for energy-saving societies. Sugar alcohols are now one promising candidate for phase change materials (PCMs) because of their large thermal storage density. In this study, we computationally design experimentally unknown non-natural sugar alcohols and predict their thermal storage density as a basic step toward the development of new high performance PCMs. The non-natural sugar alcohol molecules are constructed in silico in accordance with the previously suggested molecular design guidelines: linear elongation of a carbon backbone, separated distribution of OH groups, and even numbers of carbon atoms. Their crystal structures are then predicted using the random search method and first-principles calculations. Our molecular simulation results clearly demonstrate that the non-natural sugar alcohols have potential ability to have thermal storage density up to ∼450-500 kJ/kg, which is significantly larger than the maximum thermal storage density of the present known organic PCMs (∼350 kJ/kg). This computational study suggests that, even in the case of H-bonded molecular crystals where the electrostatic energy contributes mainly to thermal storage density, the molecular distortion and van der Waals energies are also important factors to increase thermal storage density. In addition, the comparison between the three eight-carbon non-natural sugar alcohol isomers indicates that the selection of preferable isomers is also essential for large thermal storage density.

  12. Multi-objective optimization of a compact pressurized water nuclear reactor computational model for biological shielding design using innovative materials

    Energy Technology Data Exchange (ETDEWEB)

    Tunes, M.A., E-mail: matheus.tunes@usp.br [Department of Metallurgical and Materials Engineering, Escola Politécnica da Universidade de São Paulo, Av. Prof. Mello Moraes, 2463 – CEP 05508 – 030 São Paulo (Brazil); Oliveira, C.R.E. de, E-mail: cassiano@unm.edu [Department of Nuclear Engineering, The University of New Mexico, Farris Engineering Center, 221, Albuquerque, NM 87131-1070 (United States); Schön, C.G., E-mail: schoen@usp.br [Department of Metallurgical and Materials Engineering, Escola Politécnica da Universidade de São Paulo, Av. Prof. Mello Moraes, 2463 – CEP 05508 – 030 São Paulo (Brazil)

    2017-03-15

    Highlights: • Use of two n-γ transport codes leads to optimized model of compact nuclear reactor. • It was possible to safely reduce both weight and volume of the biological shielding. • Best configuration obtained by using new composites for both γ and n attenuation. - Abstract: The aim of the present work is to develop a computational model of a compact pressurized water nuclear reactor (PWR) to investigate the use of innovative materials to enhance the biological shielding effectiveness. Two radiation transport codes were used: the first one – MCNP – for the PWR design and the GEM/EVENT to simulate (in a 1D slab) the behavior of several materials and shielding thickness on gamma and neutron radiation. Additionally MATLAB Optimization Toolbox was used to provide new geometric configurations of the slab aiming at reducing the volume and weight of the walls by means of a cost/objective function. It is demonstrated in the reactor model that the dose rate outside biological shielding has been reduced by one order of magnitude for the optimized model compared with the initial configuration. Volume and weight of the shielding walls were also reduced. The results indicated that one-dimensional deterministic code to reach an optimized geometry and test materials, combined with a three-dimensional model of a compact nuclear reactor in a stochastic code, is a fast and efficient procedure to test shielding performance and optimization before the experimental assessment. A major outcome of this research is that composite materials (ECOMASS 2150TU96) may replace (with advantages) traditional shielding materials without jeopardizing the nuclear power plant safety assurance.

  13. Design of Computer Experiments

    DEFF Research Database (Denmark)

    Dehlendorff, Christian

    The main topic of this thesis is design and analysis of computer and simulation experiments and is dealt with in six papers and a summary report. Simulation and computer models have in recent years received increasingly more attention due to their increasing complexity and usability. Software...... packages make the development of rather complicated computer models using predefined building blocks possible. This implies that the range of phenomenas that are analyzed by means of a computer model has expanded significantly. As the complexity grows so does the need for efficient experimental designs...... and analysis methods, since the complex computer models often are expensive to use in terms of computer time. The choice of performance parameter is an important part of the analysis of computer and simulation models and Paper A introduces a new statistic for waiting times in health care units. The statistic...

  14. Computational Protein Design

    DEFF Research Database (Denmark)

    Johansson, Kristoffer Enøe

    Proteins are the major functional group of molecules in biology. The impact of protein science on medicine and chemical productions is rapidly increasing. However, the greatest potential remains to be realized. The fi eld of protein design has advanced computational modeling from a tool of support...... to a central method that enables new developments. For example, novel enzymes with functions not found in natural proteins have been de novo designed to give enough activity for experimental optimization. This thesis presents the current state-of-the-art within computational design methods together...... with a novel method based on probability theory. With the aim of assembling a complete pipeline for protein design, this work touches upon several aspects of protein design. The presented work is the computational half of a design project where the other half is dedicated to the experimental part...

  15. Resilient computer system design

    CERN Document Server

    Castano, Victor

    2015-01-01

    This book presents a paradigm for designing new generation resilient and evolving computer systems, including their key concepts, elements of supportive theory, methods of analysis and synthesis of ICT with new properties of evolving functioning, as well as implementation schemes and their prototyping. The book explains why new ICT applications require a complete redesign of computer systems to address challenges of extreme reliability, high performance, and power efficiency. The authors present a comprehensive treatment for designing the next generation of computers, especially addressing safety-critical, autonomous, real time, military, banking, and wearable health care systems.   §  Describes design solutions for new computer system - evolving reconfigurable architecture (ERA) that is free from drawbacks inherent in current ICT and related engineering models §  Pursues simplicity, reliability, scalability principles of design implemented through redundancy and re-configurability; targeted for energy-,...

  16. Influences of Light-emitting Diode Illumination Bleaching Technique on Nanohardness of Computer-aided Design and Computer-aided Manufacturing Ceramic Restorative Materials.

    Science.gov (United States)

    Juntavee, Niwut; Juntavee, Apa; Saensutthawijit, Phuwiwat

    2018-02-01

    This study evaluated the effect of light-emitting diode (LED) illumination bleaching technique on the surface nanohardness of various computer-aided design and computer-aided manufacturing (CAD/CAM) ceramic materials. Twenty disk-shaped samples (width, length, and thickness = 10, 15, and 2 mm) were prepared from each of the ceramic materials for CAD/CAM, including Lava™ Ultimate (L V ), Vita Enamic® (E n ) IPS e.max® CAD (M e ), inCoris® TZI (I C ), and Prettau® zirconia (P r ). The samples from each type of ceramic were randomly divided into two groups based on the different bleaching techniques to be used on them, using 35% hydrogen peroxide with and without LED illumination. The ceramic disk samples were bleached according to the manufacturer's instruction. Surface hardness test was performed before and after bleaching using nanohardness tester with a Berkovich diamond indenter. The respective Vickers hardness number upon no bleaching and bleaching without or with LED illumination [mean ± standard deviation (SD)] for each type of ceramic were as follows: 102.52 ± 2.09, 101.04 ± 1.18, and 98.17 ± 1.15 for L V groups; 274.96 ± 5.41, 271.29 ± 5.94, and 268.20 ± 7.02 for E n groups; 640.74 ± 31.02, 631.70 ± 22.38, and 582.32 ± 33.88 for M e groups; 1,442.09 ± 35.07, 1,431.32 ± 28.80, and 1,336.51 ± 34.03 for I C groups; and 1,383.82 ± 33.87, 1,343.51 ± 38.75, and 1,295.96 ± 31.29 for P r groups. The results indicated surface hardness reduction following the bleaching procedure of varying degrees for different ceramic materials. Analysis of variance (ANOVA) revealed a significant reduction in surface hardness due to the effect of bleaching technique, ceramic material, and the interaction between bleaching technique and ceramic material (p LED illumination exhibited more reduction in surface hardness of dental ceramic than what was observed without LED illumination. Clinicians should consider protection of the existing restoration while bleaching.

  17. In-Service Design and Performance Prediction of Advanced Fusion Material Systems by Computational Modeling and Simulation

    International Nuclear Information System (INIS)

    G. R. Odette; G. E. Lucas

    2005-01-01

    This final report on ''In-Service Design and Performance Prediction of Advanced Fusion Material Systems by Computational Modeling and Simulation'' (DE-FG03-01ER54632) consists of a series of summaries of work that has been published, or presented at meetings, or both. It briefly describes results on the following topics: (1) A Transport and Fate Model for Helium and Helium Management; (2) Atomistic Studies of Point Defect Energetics, Dynamics and Interactions; (3) Multiscale Modeling of Fracture consisting of: (3a) A Micromechanical Model of the Master Curve (MC) Universal Fracture Toughness-Temperature Curve Relation, KJc(T - To), (3b) An Embrittlement DTo Prediction Model for the Irradiation Hardening Dominated Regime, (3c) Non-hardening Irradiation Assisted Thermal and Helium Embrittlement of 8Cr Tempered Martensitic Steels: Compilation and Analysis of Existing Data, (3d) A Model for the KJc(T) of a High Strength NFA MA957, (3e) Cracked Body Size and Geometry Effects of Measured and Effective Fracture Toughness-Model Based MC and To Evaluations of F82H and Eurofer 97, (3f) Size and Geometry Effects on the Effective Toughness of Cracked Fusion Structures; (4) Modeling the Multiscale Mechanics of Flow Localization-Ductility Loss in Irradiation Damaged BCC Alloys; and (5) A Universal Relation Between Indentation Hardness and True Stress-Strain Constitutive Behavior. Further details can be found in the cited references or presentations that generally can be accessed on the internet, or provided upon request to the authors. Finally, it is noted that this effort was integrated with our base program in fusion materials, also funded by the DOE OFES

  18. Computer aided product design

    DEFF Research Database (Denmark)

    Constantinou, Leonidas; Bagherpour, Khosrow; Gani, Rafiqul

    1996-01-01

    A general methodology for Computer Aided Product Design (CAPD) with specified property constraints which is capable of solving a large range of problems is presented. The methodology employs the group contribution approach, generates acyclic, cyclic and aromatic compounds of various degrees......-liquid equilibria (LLE), solid-liquid equilibria (SLE) and gas solubility. Finally, a computer program based on the extended methodology has been developed and the results from five case studies highlighting various features of the methodology are presented....

  19. Influence of different luting protocols on shear bond strength of computer aided design/computer aided manufacturing resin nanoceramic material to dentin.

    Science.gov (United States)

    Poggio, Claudio; Pigozzo, Marco; Ceci, Matteo; Scribante, Andrea; Beltrami, Riccardo; Chiesa, Marco

    2016-01-01

    The purpose of this study was to evaluate the influence of three different luting protocols on shear bond strength of computer aided design/computer aided manufacturing (CAD/CAM) resin nanoceramic (RNC) material to dentin. In this in vitro study, 30 disks were milled from RNC blocks (Lava Ultimate/3M ESPE) with CAD/CAM technology. The disks were subsequently cemented to the exposed dentin of 30 recently extracted bovine permanent mandibular incisors. The specimens were randomly assigned into 3 groups of 10 teeth each. In Group 1, disks were cemented using a total-etch protocol (Scotchbond™ Universal Etchant phosphoric acid + Scotchbond Universal Adhesive + RelyX™ Ultimate conventional resin cement); in Group 2, disks were cemented using a self-etch protocol (Scotchbond Universal Adhesive + RelyX™ Ultimate conventional resin cement); in Group 3, disks were cemented using a self-adhesive protocol (RelyX™ Unicem 2 Automix self-adhesive resin cement). All cemented specimens were placed in a universal testing machine (Instron Universal Testing Machine 3343) and submitted to a shear bond strength test to check the strength of adhesion between the two substrates, dentin, and RNC disks. Specimens were stressed at a crosshead speed of 1 mm/min. Data were analyzed with analysis of variance and post-hoc Tukey's test at a level of significance of 0.05. Post-hoc Tukey testing showed that the highest shear strength values (P adhesives) showed better shear strength values compared to self-adhesive resin cements. Furthermore, conventional resin cements used together with a self-etch adhesive reported the highest values of adhesion.

  20. Designing with residual materials

    NARCIS (Netherlands)

    Walhout, W.; Wever, R.; Blom, E.; Addink-Dölle, L.; Tempelman, E.

    2013-01-01

    Many entrepreneurial businesses have attempted to create value based on the residual material streams of third parties. Based on ‘waste’ materials they designed products, around which they built their company. Such activities have the potential to yield sustainable products. Many of such companies

  1. Computer aided design

    International Nuclear Information System (INIS)

    Barache, J.M.; Beltranda, G.; Blanc, P.

    1987-01-01

    In order to ensure that the data transmitted to the managment system is of the required quality and consistent with the general control command protocols, computer aided design (CAD) was employed for level N4. One describes the use of CAD for the control system of N4 [fr

  2. Computational protein design: a review

    International Nuclear Information System (INIS)

    Coluzza, Ivan

    2017-01-01

    Proteins are one of the most versatile modular assembling systems in nature. Experimentally, more than 110 000 protein structures have been identified and more are deposited every day in the Protein Data Bank. Such an enormous structural variety is to a first approximation controlled by the sequence of amino acids along the peptide chain of each protein. Understanding how the structural and functional properties of the target can be encoded in this sequence is the main objective of protein design. Unfortunately, rational protein design remains one of the major challenges across the disciplines of biology, physics and chemistry. The implications of solving this problem are enormous and branch into materials science, drug design, evolution and even cryptography. For instance, in the field of drug design an effective computational method to design protein-based ligands for biological targets such as viruses, bacteria or tumour cells, could give a significant boost to the development of new therapies with reduced side effects. In materials science, self-assembly is a highly desired property and soon artificial proteins could represent a new class of designable self-assembling materials. The scope of this review is to describe the state of the art in computational protein design methods and give the reader an outline of what developments could be expected in the near future. (topical review)

  3. 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.

  4. Computer aided drug design

    Science.gov (United States)

    Jain, A.

    2017-08-01

    Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect.

  5. Design and Development Computer-Based E-Learning Teaching Material for Improving Mathematical Understanding Ability and Spatial Sense of Junior High School Students

    Science.gov (United States)

    Nurjanah; Dahlan, J. A.; Wibisono, Y.

    2017-02-01

    This paper aims to make a design and development computer-based e-learning teaching material for improving mathematical understanding ability and spatial sense of junior high school students. Furthermore, the particular aims are (1) getting teaching material design, evaluation model, and intrument to measure mathematical understanding ability and spatial sense of junior high school students; (2) conducting trials computer-based e-learning teaching material model, asessment, and instrument to develop mathematical understanding ability and spatial sense of junior high school students; (3) completing teaching material models of computer-based e-learning, assessment, and develop mathematical understanding ability and spatial sense of junior high school students; (4) resulting research product is teaching materials of computer-based e-learning. Furthermore, the product is an interactive learning disc. The research method is used of this study is developmental research which is conducted by thought experiment and instruction experiment. The result showed that teaching materials could be used very well. This is based on the validation of computer-based e-learning teaching materials, which is validated by 5 multimedia experts. The judgement result of face and content validity of 5 validator shows that the same judgement result to the face and content validity of each item test of mathematical understanding ability and spatial sense. The reliability test of mathematical understanding ability and spatial sense are 0,929 and 0,939. This reliability test is very high. While the validity of both tests have a high and very high criteria.

  6. 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

  7. Computational design of rolling bearings

    CERN Document Server

    Nguyen-Schäfer, Hung

    2016-01-01

    This book comprehensively presents the computational design of rolling bearings dealing with many interdisciplinary difficult working fields. They encompass elastohydrodynamics (EHD), Hertzian contact theory, oil-film thickness in elastohydrodynamic lubrication (EHL), bearing dynamics, tribology of surface textures, fatigue failure mechanisms, fatigue lifetimes of rolling bearings and lubricating greases, Weibull distribution, rotor balancing, and airborne noises (NVH) in the rolling bearings. Furthermore, the readers are provided with hands-on essential formulas based on the up-to-date DIN ISO norms and helpful examples for computational design of rolling bearings. The topics are intended for undergraduate and graduate students in mechanical and material engineering, research scientists, and practicing engineers who want to understand the interactions between these working fields and to know how to design the rolling bearings for automotive industry and many other industries.

  8. 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)

  9. Cybermaterials: materials by design and accelerated insertion of materials

    Science.gov (United States)

    Xiong, Wei; Olson, Gregory B.

    2016-02-01

    Cybermaterials innovation entails an integration of Materials by Design and accelerated insertion of materials (AIM), which transfers studio ideation into industrial manufacturing. By assembling a hierarchical architecture of integrated computational materials design (ICMD) based on materials genomic fundamental databases, the ICMD mechanistic design models accelerate innovation. We here review progress in the development of linkage models of the process-structure-property-performance paradigm, as well as related design accelerating tools. Extending the materials development capability based on phase-level structural control requires more fundamental investment at the level of the Materials Genome, with focus on improving applicable parametric design models and constructing high-quality databases. Future opportunities in materials genomic research serving both Materials by Design and AIM are addressed.

  10. Designing with computational intelligence

    CERN Document Server

    Lopes, Heitor; Mourelle, Luiza

    2017-01-01

    This book discusses a number of real-world applications of computational intelligence approaches. Using various examples, it demonstrates that computational intelligence has become a consolidated methodology for automatically creating new competitive solutions to complex real-world problems. It also presents a concise and efficient synthesis of different systems using computationally intelligent techniques.

  11. Designed materials: what and how

    Science.gov (United States)

    Mazumder, Jyotirmoy; Dutta, Debasish; Ghosh, Amit K.; Kikuchi, Noboru

    2003-03-01

    Quest for a material to suit the service performance is almost as old as human civilization. So far materials engineers have developed a series of alloys, polymers, ceramics, and composites to serve many of the performance requirements in a modern society. However, challenges appear when one needs to satisfy more than one boundary condition. For example, a component with negative Coefficient of Thermal Expansion (CTE) using a ductile metal was almost impossible until recently. Synthesis of various technologies such as Direct Metal Deposition (DMD) Homogenization Design Method (HDM) and mutli material Computer Aided Design (CAD) was necessary to achieve this goal. Rapid fabrication of three-dimensional shapes of engineering materials such as H13 tool steel and nickel super alloys are now possible using Direct Materials Deposition (DMD) technique as well as similar techniques such as Light Engineered New Shaping (LENS) or Directed Light Fabrication (DLF). However, DMD has closed loop capability that enables better dimension and thermal cycle control. This enables one to deposit different material at different pixels with a given height directly from a CAD drawing. The feedback loop also controls the thermal cycle. H13 tool steel is one of the difficult alloys for deposition due to residual stress accumulation from martensitic transformation. However, it is the material of choice for the die and tool industry. DMD has demonstrated successful fabrication of complicated shapes and dies and tools, even with H13 alloys. This process also offers copper chill blocks and water-cooling channels as the integral part of the tool. On the other hand ZrO2 was co-deposited with nickel super alloys using DMD. Flexibility of the process is enormous and essentially it is an enabling technology to marterialize many a design. Using DMD in conjunction with HDM and multi-material CAD, one can produce components with predetermined performance such as negative co-efficient of expansion, by

  12. Design and Construction of Computer-Assisted Instructional Material: A Handbook for Reading/Language Arts Teachers.

    Science.gov (United States)

    Balajthy, Ernest

    Intended for reading and language arts teachers at all educational levels, this guide presents information to be used by teachers in constructing their own computer assisted educational software using the BASIC programming language and Apple computers. Part 1 provides an overview of the components of traditional tutorial and drill-and-practice…

  13. Digital design and computer architecture

    CERN Document Server

    Harris, David

    2010-01-01

    Digital Design and Computer Architecture is designed for courses that combine digital logic design with computer organization/architecture or that teach these subjects as a two-course sequence. Digital Design and Computer Architecture begins with a modern approach by rigorously covering the fundamentals of digital logic design and then introducing Hardware Description Languages (HDLs). Featuring examples of the two most widely-used HDLs, VHDL and Verilog, the first half of the text prepares the reader for what follows in the second: the design of a MIPS Processor. By the end of D

  14. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

    2009-01-01

    We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

  15. Virtual materials design using databases of calculated materials properties

    International Nuclear Information System (INIS)

    Munter, T R; Landis, D D; Abild-Pedersen, F; Jones, G; Wang, S; Bligaard, T

    2009-01-01

    Materials design is most commonly carried out by experimental trial and error techniques. Current trends indicate that the increased complexity of newly developed materials, the exponential growth of the available computational power, and the constantly improving algorithms for solving the electronic structure problem, will continue to increase the relative importance of computational methods in the design of new materials. One possibility for utilizing electronic structure theory in the design of new materials is to create large databases of materials properties, and subsequently screen these for new potential candidates satisfying given design criteria. We utilize a database of more than 81 000 electronic structure calculations. This alloy database is combined with other published materials properties to form the foundation of a virtual materials design framework (VMDF). The VMDF offers a flexible collection of materials databases, filters, analysis tools and visualization methods, which are particularly useful in the design of new functional materials and surface structures. The applicability of the VMDF is illustrated by two examples. One is the determination of the Pareto-optimal set of binary alloy methanation catalysts with respect to catalytic activity and alloy stability; the other is the search for new alloy mercury absorbers.

  16. Computational Design of Urban Layouts

    KAUST Repository

    Wonka, Peter

    2015-10-07

    A fundamental challenge in computational design is to compute layouts by arranging a set of shapes. In this talk I will present recent urban modeling projects with applications in computer graphics, urban planning, and architecture. The talk will look at different scales of urban modeling (streets, floorplans, parcels). A common challenge in all these modeling problems are functional and aesthetic constraints that should be respected. The talk also highlights interesting links to geometry processing problems, such as field design and quad meshing.

  17. Materials in Participatory Design Processes

    DEFF Research Database (Denmark)

    Hansen, Nicolai Brodersen

    This dissertation presents three years of academic inquiry into the question of what role materials play in interaction design and participatory design processes. The dissertation aims at developing conceptual tools, based on Deweys pragmatism, for understanding how materials aid design reflection....... It has been developed using a research-through-design approach in which the author has conducted practical design work in order to investigate and experiment with using materials to scaffold design inquiry. The results of the PhD work is submitted as seven separate papers, submitted to esteemed journals...... and conferences within the field of interaction design and HCI. The work is motivated both by the growing interest in materials in interaction design and HCI and the interest in design processes and collaboration within those fields. At the core of the dissertation lies an interest in the many different materials...

  18. 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...

  19. Designing through Material

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2014-01-01

    as an opportunity to connect the digital environment with the reality of materials – and use realisation and materialisation to generate architectural developments and findings through an iterative mode of thinking about the dialogue between drawing, materials and fabrication. Consequently the interest and mind...

  20. Materials design and development of functional materials for industry

    International Nuclear Information System (INIS)

    Asahi, Ryoji; Morikawa, Takeshi; Hazama, Hirofumi; Matsubara, Masato

    2008-01-01

    It is now well recognized that we are witnessing a golden age of innovation with novel materials, with discoveries that are important for both basic science and industry. With the development of theory along with computing power, quantum materials design-the synthesis of materials with the desired properties in a controlled way via materials engineering on the atomic scale-is becoming a major component of materials research. Computational prediction based on first-principles calculations has helped to find an efficient way to develop materials that are much needed for industry, as we have seen in the successful development of visible-light sensitized photocatalysts and thermoelectric materials. Close collaboration between theory and experiment is emphasized as an essential for success

  1. Designing computer programs

    CERN Document Server

    Haigh, Jim

    1994-01-01

    This is a book for students at every level who are learning to program for the first time - and for the considerable number who learned how to program but were never taught to structure their programs. The author presents a simple set of guidelines that show the programmer how to design in a manageable structure from the outset. The method is suitable for most languages, and is based on the widely used 'JSP' method, to which the student may easily progress if it is needed at a later stage.Most language specific texts contain very little if any information on design, whilst books on des

  2. Designing Instructional Materials: Some Guidelines.

    Science.gov (United States)

    Burbank, Lucille; Pett, Dennis

    Guidelines for the design of instructional materials are outlined in this paper. The principles of design are presented in five major categories: (1) general design (structural appeal and personal appeal); (2) instructional design (attention, memory, concept learning, and attitude change); (3) visual design (media considerations, pictures, graphs…

  3. New Materials Design

    National Research Council Canada - National Science Library

    Voth, Gregory

    1999-01-01

    Progress has been made on several projects under the Challenge Project award. In the area of high energy density materials, calculations are under way on Al atoms embedded in clusters of H2 molecule...

  4. 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.

  5. 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

  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. Computer-aided design and computer science technology

    Science.gov (United States)

    Fulton, R. E.; Voigt, S. J.

    1976-01-01

    A description is presented of computer-aided design requirements and the resulting computer science advances needed to support aerospace design. The aerospace design environment is examined, taking into account problems of data handling and aspects of computer hardware and software. The interactive terminal is normally the primary interface between the computer system and the engineering designer. Attention is given to user aids, interactive design, interactive computations, the characteristics of design information, data management requirements, hardware advancements, and computer science developments.

  8. Computer-Aided Design in Further Education.

    Science.gov (United States)

    Ingham, Peter, Ed.

    This publication updates the 1982 occasional paper that was intended to foster staff awareness and assist colleges in Great Britain considering the use of computer-aided design (CAD) material in engineering courses. The paper begins by defining CAD and its place in the Integrated Business System with a brief discussion of the effect of CAD on the…

  9. Dentin bond strength of two resin-ceramic computer-aided design/computer-aided manufacturing (CAD/CAM) materials and five cements after six months storage.

    Science.gov (United States)

    Flury, Simon; Schmidt, Stefanie Zita; Peutzfeldt, Anne; Lussi, Adrian

    2016-10-01

    The aim was to investigate dentin bond strength of two resin-ceramic materials and five cements after 24 h and six months storage. Cylinders (n=15/group) of Lava Ultimate (3M ESPE) and VITA ENAMIC (VITA Zahnfabrik) were cemented to mid-coronal dentin of 300 extracted human molars with RelyX Ultimate (3M ESPE), PANAVIA F2.0 (Kuraray), Variolink II (Ivoclar Vivadent), els cem (Saremco Dental), or Ketac Cem Plus (3M ESPE). Shear bond strength (SBS) was measured after 24 h or six months storage (37°C, 100% humidity) and statistically analyzed (significance level: α=0.05). SBS varied markedly between Lava Ultimate and VITA ENAMIC, between the five cements, and between storage of either 24 h or six months. After six months, SBS was highest when Lava Ultimate was cemented with RelyX Ultimate and when VITA ENAMIC was cemented with RelyX Ultimate or with Variolink II. Lava Ultimate was somewhat more sensitive to storage than was VITA ENAMIC.

  10. 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.

  11. Consumer Driven Computer Game Design

    OpenAIRE

    Trappey, Charles

    2005-01-01

    The Critical Incident Techniques (CIT) is widely used to study customer satisfaction and dissatisfaction in the service industry. CIT provides questionnaire respondents with an open format to describe in their own words incidents that create lasting impressions. The purpose of this research is to develop a methodology for computer game design with the goal and intent of creating games that increase the consumer’s satisfaction through play. Too often game designers, either with or without inte...

  12. The Effects of a Computer-Assisted Teaching Material, Designed According to the ASSURE Instructional Design and the ARCS Model of Motivation, on Students' Achievement Levels in a Mathematics Lesson and Their Resulting Attitudes

    Science.gov (United States)

    Karakis, Hilal; Karamete, Aysen; Okçu, Aydin

    2016-01-01

    This study examined the effects that computer-assisted instruction had on students' attitudes toward a mathematics lesson and toward learning mathematics with computer-assisted instruction. The computer software we used was based on the ASSURE Instructional Systems Design and the ARCS Model of Motivation, and the software was designed to teach…

  13. [Influence of coping material selection and porcelain firing on marginal and internal fit of computer-aided design/computer- aided manufacturing of zirconia and titanium ceramic implant-supported crowns].

    Science.gov (United States)

    Cuiling, Liu; Liyuan, Yang; Xu, Gao; Hong, Shang

    2016-06-01

    This study aimed to investigate the influence of coping material and porcelain firing on the marginal and internal fit of computer-aided design/computer-aided manufacturing (CAD/CAM) of zirconia ceramic implant- and titanium ceramic implant-supported crowns. Zirconia ceramic implant (group A, n = 8) and titanium metal ceramic implant-supported crowns (group B, n = 8) were produced from copings using the CAD/CAM system. The marginal and internal gaps of the copings and crowns were measured by using a light-body silicone replica technique combined with micro-computed tomography scanning to obtain a three-dimensional image. Marginal gap (MG), horizontal marginal discrepancy (HMD), and axial wall (AW) were measured. Statistical analyses were performed using SPSS 17.0. Prior to porcelain firing, the measurements for MG, HMD, and AW of copings in group A were significantly larger than those in group B (P 0.05). Porcelain firing significantly reduced MG (P 0.05). The marginal fits of CAD/CAM zirconia ceramic implant-supported crowns were superior to those of CAD/CAM titanium ceramic-supported crowns. The fits of both the CAD/CAM zirconia ceramic implant- and titanium ceramic implant-supported crowns were obviously influenced by porcelain firing.

  14. de novo computational enzyme design.

    Science.gov (United States)

    Zanghellini, Alexandre

    2014-10-01

    Recent advances in systems and synthetic biology as well as metabolic engineering are poised to transform industrial biotechnology by allowing us to design cell factories for the sustainable production of valuable fuels and chemicals. To deliver on their promises, such cell factories, as much as their brick-and-mortar counterparts, will require appropriate catalysts, especially for classes of reactions that are not known to be catalyzed by enzymes in natural organisms. A recently developed methodology, de novo computational enzyme design can be used to create enzymes catalyzing novel reactions. Here we review the different classes of chemical reactions for which active protein catalysts have been designed as well as the results of detailed biochemical and structural characterization studies. We also discuss how combining de novo computational enzyme design with more traditional protein engineering techniques can alleviate the shortcomings of state-of-the-art computational design techniques and create novel enzymes with catalytic proficiencies on par with natural enzymes. Copyright © 2014 Elsevier Ltd. All rights reserved.

  15. Computer-aided system design

    Science.gov (United States)

    Walker, Carrie K.

    1991-01-01

    A technique has been developed for combining features of a systems architecture design and assessment tool and a software development tool. This technique reduces simulation development time and expands simulation detail. The Architecture Design and Assessment System (ADAS), developed at the Research Triangle Institute, is a set of computer-assisted engineering tools for the design and analysis of computer systems. The ADAS system is based on directed graph concepts and supports the synthesis and analysis of software algorithms mapped to candidate hardware implementations. Greater simulation detail is provided by the ADAS functional simulator. With the functional simulator, programs written in either Ada or C can be used to provide a detailed description of graph nodes. A Computer-Aided Software Engineering tool developed at the Charles Stark Draper Laboratory (CSDL CASE) automatically generates Ada or C code from engineering block diagram specifications designed with an interactive graphical interface. A technique to use the tools together has been developed, which further automates the design process.

  16. Design Anthropology, Emerging Technologies and Alternative Computational Futures

    DEFF Research Database (Denmark)

    Smith, Rachel Charlotte

    Emerging technologies are providing a new field for design anthropological inquiry that unite experiences, imaginaries and materialities in complex way and demands new approaches to developing sustainable computational futures.......Emerging technologies are providing a new field for design anthropological inquiry that unite experiences, imaginaries and materialities in complex way and demands new approaches to developing sustainable computational futures....

  17. Optimal Design of Porous Materials

    DEFF Research Database (Denmark)

    Andreassen, Erik

    The focus of this thesis is topology optimization of material microstructures. That is, creating new materials, with attractive properties, by combining classic materials in periodic patterns. First, large-scale topology optimization is used to design complicated three-dimensional materials......, throughout the thesis extra attention is given to obtain structures that can be manufactured. That is also the case in the final part, where a simple multiscale method for the optimization of structural damping is presented. The method can be used to obtain an optimized component with structural details...

  18. 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.

  19. 7th International Conference on Design Computing and Cognition

    CERN Document Server

    2017-01-01

    This book gathers the peer-reviewed and revised versions of papers from the Seventh International Conference on Design Computing and Cognition (DCC'16), held at Northwestern University, Evanston (Chicago), USA, from 27–29 June 2016. The material presented here reflects cutting-edge design research with a focus on artificial intelligence, cognitive science and computational theories. The papers are grouped under the following nine headings, describing advances in theory and applications alike and demonstrating the depth and breadth of design computing and design cognition: Design Creativity; Design Cognition - Design Approaches; Design Support; Design Grammars; Design Cognition - Design Behaviors; Design Processes; Design Synthesis; Design Activity and Design Knowledge. The book will be of particular interest to researchers, developers and users of advanced computation in design across all disciplines, and to all readers who need to gain a better understanding of designing.

  20. Digital computer structure and design

    CERN Document Server

    Townsend, R

    2014-01-01

    Digital Computer Structure and Design, Second Edition discusses switching theory, counters, sequential circuits, number representation, and arithmetic functions The book also describes computer memories, the processor, data flow system of the processor, the processor control system, and the input-output system. Switching theory, which is purely a mathematical concept, centers on the properties of interconnected networks of ""gates."" The theory deals with binary functions of 1 and 0 which can change instantaneously from one to the other without intermediate values. The binary number system is

  1. The Effects of a Computer-Assisted Teaching Material, Designed According to the ASSURE Instructional Design and the ARCS Model of Motivation, on Students’ Achievement Levels in a Mathematics Lesson and Their Resulting Attitudes

    OpenAIRE

    Hilal Karakış; Ayşen Karamete; Aydın Okçu

    2016-01-01

    This study examined the effects that computer-assisted instruction had on students’ attitudes toward a mathematics lesson and toward learning mathematics with computer-assisted instruction. The computer software we used was based on the ASSURE Instructional Systems Design and the ARCS Model of Motivation, and the software was designed to teach fractions to fourth-grade students. The skill levels of these students were gauged before and after receiving the computer-assisted instruction. We str...

  2. CAAD as Computer-Activated Architectural Design

    DEFF Research Database (Denmark)

    Galle, Per

    1998-01-01

    In a brief sketch, drawing on a general philosophical conception of human interaction with the world, the architectural design process is analysed in terms of two kinds of human action: interpretation and production. Both of these are seen as establishing a link between mental and material entities....... On this background two alternative roles of computers in computer-aided architectural design (CAAD) are distinguished: a passive and a more active role, where in the latter case, the computer’s capacity for symbol manipulation is utilized to influence design thinking actively. The analysis offered in this paper may...... serve at least two purposes: to provide a conceptual machinery for research and reflection on CAAD, and to clarify the notion of ‘artificial intelligence’ in the light of architectural design....

  3. 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

  4. 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

  5. 6th International Conference on Design Computing and Cognition

    CERN Document Server

    Hanna, Sean

    2015-01-01

    This book details the state-of-the-art of research and development in design computing and design cognition. It features more than 35 papers that were presented at the Sixth International Conference on Design Computing and Cognition, DCC’14, held at University College, London, UK. Inside, readers will find the work of expert researchers and practitioners that explores both advances in theory and application as well as demonstrates the depth and breadth of design computing and design cognition. This interdisciplinary coverage, which includes material from international research groups, examines design synthesis, design cognition, design creativity, design processes, design theory, design grammars, design support, and design ideation. Overall, the papers provide a bridge between design computing and design cognition. The confluence of these two fields continues to build the foundation for further advances and leads to an increased understanding of design as an activity whose influence continues to spread. ...

  6. 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....

  7. Composite materials design and applications

    CERN Document Server

    Gay, Daniel; Tsai, Stephen W

    2002-01-01

    PART ONE. PRINCIPLES OF CONSTRUCTIONCOMPOSITE MATERIALS, INTEREST AND PROPERTIESWhat is Composite Material Fibers and MatrixWhat can be Made Using Composite Materials?Typical Examples of Interest on the Use of Composite MaterialsExamples on Replacing Conventional Solutions with CompositesPrincipal Physical PropertiesFABRICATION PROCESSESMolding ProcessesOther Forming ProcessesPractical Hints in the Manufacturing ProcessesPLY PROPERTIESIsotropy and AnisotropyCharacteristics of the Reinforcement-Matrix MixtureUnidirectional PlyWoven FabricsMats and Reinforced MatricesMultidimensional FabricsMetal Matrix CompositesTestsSANDWICH STRUCTURES:What is a Sandwich Structure?Simplified FlexureA Few Special AspectsFabrication and Design ProblemsNondestructive Quality ControlCONCEPTION AND DESIGNDesign of a Composite PieceThe LaminateFailure of LaminatesSizing of LaminatesJOINING AND ASSEMBLYRiveting and BoltingBondingInsertsCOMPOSITE MATERIALS AND AEROSPACE CONSTRUCTIONAircraftHelicoptersPropeller Blades for AirplanesTur...

  8. Translating material and design space

    DEFF Research Database (Denmark)

    Tamke, Martin; Ramsgaard Thomsen, Mette; Joseffson, Kristoffer

    2009-01-01

    This paper shares findings from the project DevA (Developable surfaces in Architecture), a research by design based project developed a collaboration between academic and industry partners. The project aims to investigate the use of curved sheet material in architecture using hybridised 3D...

  9. 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.)

  10. 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.)

  11. Understanding and designing computer networks

    CERN Document Server

    King, Graham

    1995-01-01

    Understanding and Designing Computer Networks considers the ubiquitous nature of data networks, with particular reference to internetworking and the efficient management of all aspects of networked integrated data systems. In addition it looks at the next phase of networking developments; efficiency and security are covered in the sections dealing with data compression and data encryption; and future examples of network operations, such as network parallelism, are introduced.A comprehensive case study is used throughout the text to apply and illustrate new techniques and concepts as th

  12. Effects of three silane primers and five adhesive agents on the bond strength of composite material for a computer-aided design and manufacturing system.

    Science.gov (United States)

    Shinohara, Ayano; Taira, Yohsuke; Sakihara, Michino; Sawase, Takashi

    2018-01-01

    Objective The objective of this study was to evaluate the effects of combinations of silane primers and adhesive agents on the bond strength of a composite block for a computer-aided design and manufacturing system. Material and Methods Three silane primers [Clearfil Ceramic Primer (CP), Super-Bond PZ Primer (PZ), and GC Ceramic Primer II (GP)] were used in conjunction with five adhesive agents [G-Premio Bond (P-Bond), Repair Adhe Adhesive (R-Adhesive), Super-Bond D-Liner Dual (SB-Dual), Super-Bond C&B (SB-Self), and SB-Dual without tributylborane derivative (SB-Light)]. The surface of a composite block (Gradia Block) was ground with silicon carbide paper. After treatment with a silane primer, a adhesive agent was applied to each testing specimen. The specimens were then bonded with a light-curing resin composite. After 24 h, the shear bond strength values were determined and compared using a post hoc test (α=0.05, n=8/group). We also prepared control specimens without primer (No primer) and/or without adhesive agent (No adhesive). Results PZ/SB-Dual and GP/SB-Dual presented the highest bond strength, followed by GP/P-Bond, CP/SB-Dual, CP/R-Adhesive, No primer/SB-Dual, GP/R-Adhesive, CP/P-Bond, No primer/R-Adhesive, PZ/R-Adhesive, CP/SB-Self, PZ/P-Bond, PZ/SB-Self, and GP/SB-Self in descending order of bond strength. No primer/P-Bond, No primer/SB-Self, and all specimens in the SB-Light and No adhesive groups presented the lowest bond strengths. Conclusion A dual-curing adhesive agent (SB-Dual) containing a tributylborane derivative in combination with a silane primer (GP or PZ) presents a greater bond strength between the composite block and the repairing resin composite than the comparators used in the study.

  13. 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....

  14. 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.

  15. 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

  16. Timber Curtain: Designing with material capabilities

    DEFF Research Database (Denmark)

    Lahmy, Maya; Larsen, Niels Martin

    2015-01-01

    of the generative phase to fabrication of the artefact. Brought together by various conceptual and structural elements the Timber Curtain forms a 4.5 x 2.5 x 0.5 m construct of assembled wood components, digitally crafted through advanced production techniques. Concerned with materiality and processing of the wood......Timber Curtain explores relations between digital precision and material indeterminacy. It is an installation engaging spatially through its presence as a 1:1 architectural component as well as it is exploring novel technologies in the architectural design process from the very beginning...... an associative digital model that could gather and compute in put from material behaviour and out put manufacturing data was scripted. This method enables material capacity to be pushed to the limit of its performance allowing novel sensuous and structural qualities to emerge. The method is developed with use...

  17. 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)

  18. 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.

  19. Computer Applications in the Design Process.

    Science.gov (United States)

    Winchip, Susan

    Computer Assisted Design (CAD) and Computer Assisted Manufacturing (CAM) are emerging technologies now being used in home economics and interior design applications. A microcomputer in a computer network system is capable of executing computer graphic functions such as three-dimensional modeling, as well as utilizing office automation packages to…

  20. Designs 2002 further computational and constructive design theory

    CERN Document Server

    2003-01-01

    This volume is a sequel to the 1996 compilation, Computational and Constructive Design Theory. It contains research papers and surveys of recent research work on two closely related aspects of the study of combinatorial designs: design construction and computer-aided study of designs. Audience: This volume is suitable for researchers in the theory of combinatorial designs

  1. Design to Robotic Production for Informed Materialization Processes

    Directory of Open Access Journals (Sweden)

    Sina Mostafavi

    2017-12-01

    Full Text Available Design to Robotic Production (D2RP establishes links between digital design and production in order to achieve informed materialization at an architectural scale. D2RP research is being discussed under the computation, automation and materialization themes, by reference to customizable digital design means, robotic fabrication setups and informed materialization strategies implemented by the Robotic Building group at Hyperbody, TU Delft.

  2. Biomimetic design processes in architecture: morphogenetic and evolutionary computational design

    International Nuclear Information System (INIS)

    Menges, Achim

    2012-01-01

    Design computation has profound impact on architectural design methods. This paper explains how computational design enables the development of biomimetic design processes specific to architecture, and how they need to be significantly different from established biomimetic processes in engineering disciplines. The paper first explains the fundamental difference between computer-aided and computational design in architecture, as the understanding of this distinction is of critical importance for the research presented. Thereafter, the conceptual relation and possible transfer of principles from natural morphogenesis to design computation are introduced and the related developments of generative, feature-based, constraint-based, process-based and feedback-based computational design methods are presented. This morphogenetic design research is then related to exploratory evolutionary computation, followed by the presentation of two case studies focusing on the exemplary development of spatial envelope morphologies and urban block morphologies. (paper)

  3. 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....

  4. Basic design of parallel computational program for probabilistic structural analysis

    International Nuclear Information System (INIS)

    Kaji, Yoshiyuki; Arai, Taketoshi; Gu, Wenwei; Nakamura, Hitoshi

    1999-06-01

    In our laboratory, for 'development of damage evaluation method of structural brittle materials by microscopic fracture mechanics and probabilistic theory' (nuclear computational science cross-over research) we examine computational method related to super parallel computation system which is coupled with material strength theory based on microscopic fracture mechanics for latent cracks and continuum structural model to develop new structural reliability evaluation methods for ceramic structures. This technical report is the review results regarding probabilistic structural mechanics theory, basic terms of formula and program methods of parallel computation which are related to principal terms in basic design of computational mechanics program. (author)

  5. Basic design of parallel computational program for probabilistic structural analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kaji, Yoshiyuki; Arai, Taketoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Gu, Wenwei; Nakamura, Hitoshi

    1999-06-01

    In our laboratory, for `development of damage evaluation method of structural brittle materials by microscopic fracture mechanics and probabilistic theory` (nuclear computational science cross-over research) we examine computational method related to super parallel computation system which is coupled with material strength theory based on microscopic fracture mechanics for latent cracks and continuum structural model to develop new structural reliability evaluation methods for ceramic structures. This technical report is the review results regarding probabilistic structural mechanics theory, basic terms of formula and program methods of parallel computation which are related to principal terms in basic design of computational mechanics program. (author)

  6. Computational Support for Creative Design

    KAUST Repository

    Liu, Han

    2015-12-09

    rooms, and fabrication considerations (i.e., economic construction cost). Secondly, we introduce replaceable substructures as arrangements of shape components that can be interchanged while ensuring boundary consistency. Based on the shape graphs that encode the structures of input models, we propose new automatic operations to discover replaceable substructures across models or within a model. We enforce a pair of subgraphs matching along their boundaries so that switching two subgraphs results in topological variations. Thirdly, we develop an interactive system that supports a freeform design by interpreting user sketches. 3D contents can be extracted from input strokes with or without user annotations. Our system accepts user strokes, analyzes their contacts and vanishing directions with respect to an anchored image, and projects 2D strokes to 3D space via a multi- stage optimization on spatial canvas selection. We demonstrate the computational approaches on a range of example models and design studies.

  7. Advanced topics in security computer system design

    International Nuclear Information System (INIS)

    Stachniak, D.E.; Lamb, W.R.

    1989-01-01

    The capability, performance, and speed of contemporary computer processors, plus the associated performance capability of the operating systems accommodating the processors, have enormously expanded the scope of possibilities for designers of nuclear power plant security computer systems. This paper addresses the choices that could be made by a designer of security computer systems working with contemporary computers and describes the improvement in functionality of contemporary security computer systems based on an optimally chosen design. Primary initial considerations concern the selection of (a) the computer hardware and (b) the operating system. Considerations for hardware selection concern processor and memory word length, memory capacity, and numerous processor features

  8. Development on analytical method of computational dynamic property and optimum design method of texture construction considering microscopic texture of the materials for nuclear powers

    International Nuclear Information System (INIS)

    Shiraishi, Haruki

    1997-01-01

    In structural design of the nuclear reactor core, He void boundary embrittlement used for a factor of determining using temperature limit of the structural materials is said to be formed by He void present at the crystal particles boundary. However, it has been not succeeded in quantitative estimation on ductility of the materials containing He voids formed on neutron radiation. In this paper, the results of qualitative analysis on effect of voids shapes (size and density) on the boundary He embrittlement were reported. Using two-dimensional elastoplastic finite element method, stress-strain curve of the materials containing voids at crystal boundary was analyzed. At that time, suppositions such as continuous body dynamics, Von Mises yield condition, n-power hardening rule, repeating boundary condition and so on were adopted. As a result, it was found that deformation type was divided to inter-particle deformation and boundary deformation types, and that so-called boundary He embrittlement was belonged to the latter. (G.K.)

  9. Interactive design computation : A case study on quantum design paradigm

    NARCIS (Netherlands)

    Feng, H.

    2013-01-01

    The ever-increasing complexity of design processes fosters novel design computation models to be employed in architectural research and design in order to facilitate accurate data processing and refined decision making. These computation models have enabled designers to work with complex geometry

  10. Computational Intelligence Techniques for New Product Design

    CERN Document Server

    Chan, Kit Yan; Dillon, Tharam S

    2012-01-01

    Applying computational intelligence for product design is a fast-growing and promising research area in computer sciences and industrial engineering. However, there is currently a lack of books, which discuss this research area. This book discusses a wide range of computational intelligence techniques for implementation on product design. It covers common issues on product design from identification of customer requirements in product design, determination of importance of customer requirements, determination of optimal design attributes, relating design attributes and customer satisfaction, integration of marketing aspects into product design, affective product design, to quality control of new products. Approaches for refinement of computational intelligence are discussed, in order to address different issues on product design. Cases studies of product design in terms of development of real-world new products are included, in order to illustrate the design procedures, as well as the effectiveness of the com...

  11. Materials selection in mechanical design

    International Nuclear Information System (INIS)

    Ashby, M.F.; Cebon, D.

    1993-01-01

    A novel materials-selection procedure has been developed and implemented in software. The procedure makes use of Materials Selection Charts: a new way of displaying material property data; and performance indices: combinations of material properties which govern performance. Optimisation methods are employed for simultaneous selection of both material and shape. (orig.)

  12. Materials selection in mechanical design

    OpenAIRE

    Ashby , M.; Cebon , D.

    1993-01-01

    A novel materials-selection procedure has been developed and implemented in software. The procedure makes use of Materials Selection Charts: a new way of displaying material property data; and performance indices: combinations of material properties which govern performance. Optimisation methods are employed for simultaneous selection of both material and shape.

  13. Shape Does Matter : Designing materials in products

    NARCIS (Netherlands)

    Saakes, D.P.

    2010-01-01

    In this thesis I investigate how to support designing the appearance of materials in products, specifically how to search for new materials and to explore the interactions between materials and shape. Central in this thesis is a novel design called Skin 2.0. Skin allows designers in the early

  14. New design methods for computer aided architecturald design methodology teaching

    NARCIS (Netherlands)

    Achten, H.H.

    2003-01-01

    Architects and architectural students are exploring new ways of design using Computer Aided Architectural Design software. This exploration is seldom backed up from a design methodological viewpoint. In this paper, a design methodological framework for reflection on innovate design processes by

  15. Alternate Materials In Design Of Radioactive Material Packages

    International Nuclear Information System (INIS)

    Blanton, P.; Eberl, K.

    2010-01-01

    This paper presents a summary of design and testing of material and composites for use in radioactive material packages. These materials provide thermal protection and provide structural integrity and energy absorption to the package during normal and hypothetical accident condition events as required by Title 10 Part 71 of the Code of Federal Regulations. Testing of packages comprising these materials is summarized.

  16. Designing the next generation (fifth generation computers)

    International Nuclear Information System (INIS)

    Wallich, P.

    1983-01-01

    A description is given of the designs necessary to develop fifth generation computers. An analysis is offered of problems and developments in parallelism, VLSI, artificial intelligence, knowledge engineering and natural language processing. Software developments are outlined including logic programming, object-oriented programming and exploratory programming. Computer architecture is detailed including concurrent computer architecture

  17. Designing Biomimetic, Dissipative Material Systems

    Energy Technology Data Exchange (ETDEWEB)

    Balazs, Anna C. [Univ. of Pittsburgh, PA (United States). Chemical Engineering Dept.; Whitesides, George M. [Harvard Univ., Cambridge, MA (United States). Dept. of Chemistry and Chemical Biology; Brinker, C. Jeffrey [Univ. of New Mexico, Albuquerque, NM (United States). Dept. of Chemical and Nuclear Engineering. Dept. of Chemistry. Dept. of Molecular Genetics and Microbiology. Center for Micro-Engineered Materials; Aranson, Igor S. [UChicago, LLC., Argonne, IL (United States); Chaikin, Paul [New York Univ. (NYU), NY (United States). Dept. of Physics; Dogic, Zvonimir [Brandeis Univ., Waltham, MA (United States). Dept. of Physics; Glotzer, Sharon [Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Chemical Engineering. Dept. of Materials Science and Engineering. Dept. of Macromolecular Science and Engineering Physics; Hammer, Daniel [Univ. of Pennsylvania, Philadelphia, PA (United States). School of Engineering and Applied Science; Irvine, Darrell [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering and Biological Engineering; Little, Steven R. [Univ. of Pittsburgh, PA (United States). Chemical Engineering Dept.; Olvera de la Cruz, Monica [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Parikh, Atul N. [Univ. of California, Davis, CA (United States). Dept. of Biomedical Engineering. Dept. of Chemical Engineering and Materials Science; Stupp, Samuel [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering. Dept. of Chemistry. Dept. of Medicine. Dept. of Biomedical Engineering; Szostak, Jack [Harvard Univ., Cambridge, MA (United States). Dept. of Chemistry and Chemical Biology

    2016-01-21

    Throughout human history, new materials have been the foundation of transformative technologies: from bronze, paper, and ceramics to steel, silicon, and polymers, each material has enabled far-reaching advances. Today, another new class of materials is emerging—one with both the potential to provide radically new functions and to challenge our notion of what constitutes a “material”. These materials would harvest, transduce, or dissipate energy to perform autonomous, dynamic functions that mimic the behaviors of living organisms. Herein, we discuss the challenges and benefits of creating “dissipative” materials that can potentially blur the boundaries between living and non-living matter.

  18. Office ergonomics: deficiencies in computer workstation design.

    Science.gov (United States)

    Shikdar, Ashraf A; Al-Kindi, Mahmoud A

    2007-01-01

    The objective of this research was to study and identify ergonomic deficiencies in computer workstation design in typical offices. Physical measurements and a questionnaire were used to study 40 workstations. Major ergonomic deficiencies were found in physical design and layout of the workstations, employee postures, work practices, and training. The consequences in terms of user health and other problems were significant. Forty-five percent of the employees used nonadjustable chairs, 48% of computers faced windows, 90% of the employees used computers more than 4 hrs/day, 45% of the employees adopted bent and unsupported back postures, and 20% used office tables for computers. Major problems reported were eyestrain (58%), shoulder pain (45%), back pain (43%), arm pain (35%), wrist pain (30%), and neck pain (30%). These results indicated serious ergonomic deficiencies in office computer workstation design, layout, and usage. Strategies to reduce or eliminate ergonomic deficiencies in computer workstation design were suggested.

  19. Algorithmic Mechanism Design of Evolutionary Computation.

    Science.gov (United States)

    Pei, Yan

    2015-01-01

    We consider algorithmic design, enhancement, and improvement of evolutionary computation as a mechanism design problem. All individuals or several groups of individuals can be considered as self-interested agents. The individuals in evolutionary computation can manipulate parameter settings and operations by satisfying their own preferences, which are defined by an evolutionary computation algorithm designer, rather than by following a fixed algorithm rule. Evolutionary computation algorithm designers or self-adaptive methods should construct proper rules and mechanisms for all agents (individuals) to conduct their evolution behaviour correctly in order to definitely achieve the desired and preset objective(s). As a case study, we propose a formal framework on parameter setting, strategy selection, and algorithmic design of evolutionary computation by considering the Nash strategy equilibrium of a mechanism design in the search process. The evaluation results present the efficiency of the framework. This primary principle can be implemented in any evolutionary computation algorithm that needs to consider strategy selection issues in its optimization process. The final objective of our work is to solve evolutionary computation design as an algorithmic mechanism design problem and establish its fundamental aspect by taking this perspective. This paper is the first step towards achieving this objective by implementing a strategy equilibrium solution (such as Nash equilibrium) in evolutionary computation algorithm.

  20. 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...

  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. Computers as components principles of embedded computing system design

    CERN Document Server

    Wolf, Marilyn

    2012-01-01

    Computers as Components: Principles of Embedded Computing System Design, 3e, presents essential knowledge on embedded systems technology and techniques. Updated for today's embedded systems design methods, this edition features new examples including digital signal processing, multimedia, and cyber-physical systems. Author Marilyn Wolf covers the latest processors from Texas Instruments, ARM, and Microchip Technology plus software, operating systems, networks, consumer devices, and more. Like the previous editions, this textbook: Uses real processors to demonstrate both technology and tec

  3. Computational Design Modelling : Proceedings of the Design Modelling Symposium

    CERN Document Server

    Kilian, Axel; Palz, Norbert; Scheurer, Fabian

    2012-01-01

    This book publishes the peer-reviewed proceeding of the third Design Modeling Symposium Berlin . The conference constitutes a platform for dialogue on experimental practice and research within the field of computationally informed architectural design. More than 60 leading experts the computational processes within the field of computationally informed architectural design to develop a broader and less exotic building practice that bears more subtle but powerful traces of the complex tool set and approaches we have developed and studied over recent years. The outcome are new strategies for a reasonable and innovative implementation of digital potential in truly innovative and radical design guided by both responsibility towards processes and the consequences they initiate.

  4. Designing with computers at Lawrence Berkeley Laboratory

    International Nuclear Information System (INIS)

    Colonas, J.S.

    1974-10-01

    The application of digital computers to the solution of engineering problems relating to accelerator design was explored. The existing computer hardware and software available for direct communication between the engineer and the computer are described, and some examples of useful programs are outlined, showing the ease of their use and the method of communication between machine and designer. An effort is made to convince engineers that they can communicate with the computer in ordinary English and mathematics, rather than in intermediate artificial languages. (U.S.)

  5. Materials design principles of ancient fish armour

    Science.gov (United States)

    Bruet, Benjamin J. F.; Song, Juha; Boyce, Mary C.; Ortiz, Christine

    2008-09-01

    Knowledge of the structure-property-function relationships of dermal scales of armoured fish could enable pathways to improved bioinspired human body armour, and may provide clues to the evolutionary origins of mineralized tissues. Here, we present a multiscale experimental and computational approach that reveals the materials design principles present within individual ganoid scales from the `living fossil' Polypterus senegalus. This fish belongs to the ancient family Polypteridae, which first appeared 96 million years ago during the Cretaceous period and still retains many of their characteristics. The mechanistic origins of penetration resistance (approximating a biting attack) were investigated and found to include the juxtaposition of multiple distinct reinforcing composite layers that each undergo their own unique deformation mechanisms, a unique spatial functional form of mechanical properties with regions of differing levels of gradation within and between material layers, and layers with an undetectable gradation, load-dependent effective material properties, circumferential surface cracking, orthogonal microcracking in laminated sublayers and geometrically corrugated junctions between layers.

  6. 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.

  7. Free Material Design with Multiple Load Cases

    DEFF Research Database (Denmark)

    Pedersen, Pauli; Pedersen, Niels Leergaard

    2012-01-01

    Multiple load cases and the consideration of strength is a reality that most structural designs are exposed to. Improved possibility to produce specific materials, say by fiber lay-up, put focus on research on free material optimization. A formulation for such design problems together with a prac......Multiple load cases and the consideration of strength is a reality that most structural designs are exposed to. Improved possibility to produce specific materials, say by fiber lay-up, put focus on research on free material optimization. A formulation for such design problems together...... with a practical recursive design procedure is presented and illustrated with examples. The presented finite element analysis involve many elements as well as many load cases. Separating the local amount of material from a description with unit trace for the local anisotropy, gives the free materials formulation...... a more physical interpretation of the material constraint....

  8. Optical Design Using Small Dedicated Computers

    Science.gov (United States)

    Sinclair, Douglas C.

    1980-09-01

    Since the time of the 1975 International Lens Design Conference, we have developed a series of optical design programs for Hewlett-Packard desktop computers. The latest programs in the series, OSLO-25G and OSLO-45G, have most of the capabilities of general-purpose optical design programs, including optimization based on exact ray-trace data. The computational techniques used in the programs are similar to ones used in other programs, but the creative environment experienced by a designer working directly with these small dedicated systems is typically much different from that obtained with shared-computer systems. Some of the differences are due to the psychological factors associated with using a system having zero running cost, while others are due to the design of the program, which emphasizes graphical output and ease of use, as opposed to computational speed.

  9. Computational design of safer nanomaterials

    NARCIS (Netherlands)

    Burello, E.

    2015-01-01

    Nanomaterials are expected to find applications in numerous consumer products, posing the challenge to guarantee their safety and environmental sustainability before they can be transferred from research labs to end-consumer products. One emerging solution, called safe design, relies on the

  10. Computational Design for Sport Building

    NARCIS (Netherlands)

    Turrin, M.; Yang, D.; D'Aquilio, A.; Šileryte, R.; Sun, Y

    2016-01-01

    The design of sport buildings has great impact on top-sport as well as on recreational sport-activities. It implies challenging tasks in meeting the performance-requirements. This includes the control of factors like daylight/lighting, air flow, thermal conditions, just to name a few. Such factors

  11. Framework for computer-aided systems design

    International Nuclear Information System (INIS)

    Esselman, W.H.

    1992-01-01

    Advanced computer technology, analytical methods, graphics capabilities, and expert systems contribute to significant changes in the design process. Continued progress is expected. Achieving the ultimate benefits of these computer-based design tools depends on successful research and development on a number of key issues. A fundamental understanding of the design process is a prerequisite to developing these computer-based tools. In this paper a hierarchical systems design approach is described, and methods by which computers can assist the designer are examined. A framework is presented for developing computer-based design tools for power plant design. These tools include expert experience bases, tutorials, aids in decision making, and tools to develop the requirements, constraints, and interactions among subsystems and components. Early consideration of the functional tasks is encouraged. Methods of acquiring an expert's experience base is a fundamental research problem. Computer-based guidance should be provided in a manner that supports the creativity, heuristic approaches, decision making, and meticulousness of a good designer

  12. Computer vision based room interior design

    Science.gov (United States)

    Ahmad, Nasir; Hussain, Saddam; Ahmad, Kashif; Conci, Nicola

    2015-12-01

    This paper introduces a new application of computer vision. To the best of the author's knowledge, it is the first attempt to incorporate computer vision techniques into room interior designing. The computer vision based interior designing is achieved in two steps: object identification and color assignment. The image segmentation approach is used for the identification of the objects in the room and different color schemes are used for color assignment to these objects. The proposed approach is applied to simple as well as complex images from online sources. The proposed approach not only accelerated the process of interior designing but also made it very efficient by giving multiple alternatives.

  13. 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.)

  14. 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.

  15. 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.

  16. Structured Design Language for Computer Programs

    Science.gov (United States)

    Pace, Walter H., Jr.

    1986-01-01

    Box language used at all stages of program development. Developed to provide improved productivity in designing, coding, and maintaining computer programs. BOX system written in FORTRAN 77 for batch execution.

  17. Computational network design from functional specifications

    KAUST Repository

    Peng, Chi Han; Yang, Yong Liang; Bao, Fan; Fink, Daniel; Yan, Dongming; Wonka, Peter; Mitra, Niloy J.

    2016-01-01

    of people in a workspace. Designing such networks from scratch is challenging as even local network changes can have large global effects. We investigate how to computationally create networks starting from only high-level functional specifications

  18. Cloud Computing Techniques for Space Mission Design

    Science.gov (United States)

    Arrieta, Juan; Senent, Juan

    2014-01-01

    The overarching objective of space mission design is to tackle complex problems producing better results, and faster. In developing the methods and tools to fulfill this objective, the user interacts with the different layers of a computing system.

  19. Computer codes for RF cavity design

    International Nuclear Information System (INIS)

    Ko, K.

    1992-08-01

    In RF cavity design, numerical modeling is assuming an increasingly important role with the help of sophisticated computer codes and powerful yet affordable computers. A description of the cavity codes in use in the accelerator community has been given previously. The present paper will address the latest developments and discuss their applications to cavity toning and matching problems

  20. Computer aided design of solonoid magnets

    Energy Technology Data Exchange (ETDEWEB)

    DeOlivares, J.M.

    1978-06-01

    Computer programs utilizing Legendre functions and elliptic integral functions have been written to aid in the design of solenoid magnets. The field inside an axisymmetric magnet can be expanded in a converging power series of Legendre functions. The Legendre function approach is very useful for designing solenoid magnets with a high degree of field uniformity. This approach has been programed on the LBL CDC 7600 computer so that one can design an axisymmetric magnet which meets any desired field structure. Two examples of computer designed solenoids are presented. A computer program utilizing elliptic integral functions was also written for the LBL CDC 7600 computer. This method was used in a computer program to verify the results obtained from the Legendre approach and for field calculations within the conductor. The elliptic integral field calculations within the conductor showed that thin solenoids produce field peaking at the ends of the magnet. Computer data is generated for various magnet geometries and compared with theoretical predictions. Computer results and theoretical prediction both show that field peaking is reduced for longer coils, increased for thinner coils and field peaking is a logarithmic function of length, thickness and radius.

  1. Computing tools for accelerator design calculations

    International Nuclear Information System (INIS)

    Fischler, M.; Nash, T.

    1984-01-01

    This note is intended as a brief, summary guide for accelerator designers to the new generation of commercial and special processors that allow great increases in computing cost effectiveness. New thinking is required to take best advantage of these computing opportunities, in particular, when moving from analytical approaches to tracking simulations. In this paper, we outline the relevant considerations

  2. Computer codes for RF cavity design

    International Nuclear Information System (INIS)

    Ko, K.

    1992-01-01

    In RF cavity design, numerical modeling is assuming an increasingly important role with the help of sophisticated computer codes and powerful yet affordable computers. A description of the cavity codes in use in the accelerator community has been given previously. The present paper will address the latest developments and discuss their applications to cavity tuning and matching problems. (Author) 8 refs., 10 figs

  3. Computer System Design System-on-Chip

    CERN Document Server

    Flynn, Michael J

    2011-01-01

    The next generation of computer system designers will be less concerned about details of processors and memories, and more concerned about the elements of a system tailored to particular applications. These designers will have a fundamental knowledge of processors and other elements in the system, but the success of their design will depend on the skills in making system-level tradeoffs that optimize the cost, performance and other attributes to meet application requirements. This book provides a new treatment of computer system design, particularly for System-on-Chip (SOC), which addresses th

  4. Computer aided design for the nuclear industry

    International Nuclear Information System (INIS)

    Basson, Keith

    1986-01-01

    The paper concerns the new computer aided design (CAD) centre for the United Kingdom nuclear industry, and its applications. A description of the CAD system is given, including the current projects at the CAD centre. Typical applications of the 3D CAD plant based models, stress analysis studies, and the extraction of data from CAD drawings to produce associated documentation, are all described. Future developments using computer aided design systems are also considered. (U.K.)

  5. Performative Computation-aided Design Optimization

    Directory of Open Access Journals (Sweden)

    Ming Tang

    2012-12-01

    Full Text Available This article discusses a collaborative research and teaching project between the University of Cincinnati, Perkins+Will’s Tech Lab, and the University of North Carolina Greensboro. The primary investigation focuses on the simulation, optimization, and generation of architectural designs using performance-based computational design approaches. The projects examine various design methods, including relationships between building form, performance and the use of proprietary software tools for parametric design.

  6. OLED microdisplay design and materials

    Science.gov (United States)

    Wacyk, Ihor; Prache, Olivier; Ali, Tariq; Khayrullin, Ilyas; Ghosh, Amalkumar

    2010-04-01

    AMOLED microdisplays from eMagin Corporation are finding growing acceptance within the military display market as a result of their excellent power efficiency, wide operating temperature range, small size and weight, good system flexibility, and ease of use. The latest designs have also demonstrated improved optical performance including better uniformity, contrast, MTF, and color gamut. eMagin's largest format display is currently the SXGA design, which includes features such as a 30-bit wide RGB digital interface, automatic luminance regulation from -45 to +70°C, variable gamma control, and a dynamic range exceeding 50:000 to 1. This paper will highlight the benefits of eMagin's latest microdisplay designs and review the roadmap for next generation devices. The ongoing development of reduced size pixels and larger format displays (up to WUXGA) as well as new OLED device architecture (e.g. high-brightness yellow) will be discussed. Approaches being explored for improved performance in next generation designs such as lowpower serial interfaces, high frame rate operation, and new operational modes for reduction of motion artifacts will also be described. These developments should continue to enhance the appeal of AMOLED microdisplays for a broad spectrum of near-to-the-eye applications such as night vision, simulation and training, situational awareness, augmented reality, medical imaging, and mobile video entertainment and gaming.

  7. Computer code development plant for SMART design

    International Nuclear Information System (INIS)

    Bae, Kyoo Hwan; Choi, S.; Cho, B.H.; Kim, K.K.; Lee, J.C.; Kim, J.P.; Kim, J.H.; Chung, M.; Kang, D.J.; Chang, M.H.

    1999-03-01

    In accordance with the localization plan for the nuclear reactor design driven since the middle of 1980s, various computer codes have been transferred into the korea nuclear industry through the technical transfer program from the worldwide major pressurized water reactor supplier or through the international code development program. These computer codes have been successfully utilized in reactor and reload core design works. As the results, design- related technologies have been satisfactorily accumulated. However, the activities for the native code development activities to substitute the some important computer codes of which usages are limited by the original technique owners have been carried out rather poorly. Thus, it is most preferentially required to secure the native techniques on the computer code package and analysis methodology in order to establish the capability required for the independent design of our own model of reactor. Moreover, differently from the large capacity loop-type commercial reactors, SMART (SYSTEM-integrated Modular Advanced ReacTor) design adopts a single reactor pressure vessel containing the major primary components and has peculiar design characteristics such as self-controlled gas pressurizer, helical steam generator, passive residual heat removal system, etc. Considering those peculiar design characteristics for SMART, part of design can be performed with the computer codes used for the loop-type commercial reactor design. However, most of those computer codes are not directly applicable to the design of an integral reactor such as SMART. Thus, they should be modified to deal with the peculiar design characteristics of SMART. In addition to the modification efforts, various codes should be developed in several design area. Furthermore, modified or newly developed codes should be verified their reliability through the benchmarking or the test for the object design. Thus, it is necessary to proceed the design according to the

  8. Computer code development plant for SMART design

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Kyoo Hwan; Choi, S.; Cho, B.H.; Kim, K.K.; Lee, J.C.; Kim, J.P.; Kim, J.H.; Chung, M.; Kang, D.J.; Chang, M.H

    1999-03-01

    In accordance with the localization plan for the nuclear reactor design driven since the middle of 1980s, various computer codes have been transferred into the korea nuclear industry through the technical transfer program from the worldwide major pressurized water reactor supplier or through the international code development program. These computer codes have been successfully utilized in reactor and reload core design works. As the results, design- related technologies have been satisfactorily accumulated. However, the activities for the native code development activities to substitute the some important computer codes of which usages are limited by the original technique owners have been carried out rather poorly. Thus, it is most preferentially required to secure the native techniques on the computer code package and analysis methodology in order to establish the capability required for the independent design of our own model of reactor. Moreover, differently from the large capacity loop-type commercial reactors, SMART (SYSTEM-integrated Modular Advanced ReacTor) design adopts a single reactor pressure vessel containing the major primary components and has peculiar design characteristics such as self-controlled gas pressurizer, helical steam generator, passive residual heat removal system, etc. Considering those peculiar design characteristics for SMART, part of design can be performed with the computer codes used for the loop-type commercial reactor design. However, most of those computer codes are not directly applicable to the design of an integral reactor such as SMART. Thus, they should be modified to deal with the peculiar design characteristics of SMART. In addition to the modification efforts, various codes should be developed in several design area. Furthermore, modified or newly developed codes should be verified their reliability through the benchmarking or the test for the object design. Thus, it is necessary to proceed the design according to the

  9. Design and analysis of sustainable computer mouse using design for disassembly methodology

    Science.gov (United States)

    Roni Sahroni, Taufik; Fitri Sukarman, Ahmad; Agung Mahardini, Karunia

    2017-12-01

    This paper presents the design and analysis of computer mouse using Design for Disassembly methodology. Basically, the existing computer mouse model consist a number of unnecessary part that cause the assembly and disassembly time in production. The objective of this project is to design a new computer mouse based on Design for Disassembly (DFD) methodology. The main methodology of this paper was proposed from sketch generation, concept selection, and concept scoring. Based on the design screening, design concept B was selected for further analysis. New design of computer mouse is proposed using fastening system. Furthermore, three materials of ABS, Polycarbonate, and PE high density were prepared to determine the environmental impact category. Sustainable analysis was conducted using software SolidWorks. As a result, PE High Density gives the lowers amount in the environmental category with great maximum stress value.

  10. Computer organization and design the hardware/software interface

    CERN Document Server

    Patterson, David A

    2013-01-01

    The 5th edition of Computer Organization and Design moves forward into the post-PC era with new examples, exercises, and material highlighting the emergence of mobile computing and the cloud. This generational change is emphasized and explored with updated content featuring tablet computers, cloud infrastructure, and the ARM (mobile computing devices) and x86 (cloud computing) architectures. Because an understanding of modern hardware is essential to achieving good performance and energy efficiency, this edition adds a new concrete example, "Going Faster," used throughout the text to demonstrate extremely effective optimization techniques. Also new to this edition is discussion of the "Eight Great Ideas" of computer architecture. As with previous editions, a MIPS processor is the core used to present the fundamentals of hardware technologies, assembly language, computer arithmetic, pipelining, memory hierarchies and I/O. Optimization techniques featured throughout the text. It covers parallelism in depth with...

  11. Computer Aided Solvent Selection and Design Framework

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Conte, Elisa; Abildskov, Jens

    and computer-aided tools and methods for property prediction and computer-aided molecular design (CAMD) principles. This framework is applicable for solvent selection and design in product design as well as process design. The first module of the framework is dedicated to the solvent selection and design...... in terms of: physical and chemical properties (solvent-pure properties); Environment, Health and Safety (EHS) characteristic (solvent-EHS properties); operational properties (solvent–solute properties). 3. Performing the search. The search step consists of two stages. The first is a generation and property...... identification of solvent candidates using special software ProCAMD and ProPred, which are the implementations of computer-aided molecular techniques. The second consists of assigning the RS-indices following the reaction–solvent and then consulting the known solvent database and identifying the set of solvents...

  12. Computer Aided Drug Design: Success and Limitations.

    Science.gov (United States)

    Baig, Mohammad Hassan; Ahmad, Khurshid; Roy, Sudeep; Ashraf, Jalaluddin Mohammad; Adil, Mohd; Siddiqui, Mohammad Haris; Khan, Saif; Kamal, Mohammad Amjad; Provazník, Ivo; Choi, Inho

    2016-01-01

    Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.

  13. Logical design for computers and control

    CERN Document Server

    Dodd, Kenneth N

    1972-01-01

    Logical Design for Computers and Control Logical Design for Computers and Control gives an introduction to the concepts and principles, applications, and advancements in the field of control logic. The text covers topics such as logic elements; high and low logic; kinds of flip-flops; binary counting and arithmetic; and Boolean algebra, Boolean laws, and De Morgan's theorem. Also covered are topics such as electrostatics and atomic theory; the integrated circuit and simple control systems; the conversion of analog to digital systems; and computer applications and control. The book is recommend

  14. Tools for Material Design and Selection

    Science.gov (United States)

    Wehage, Kristopher

    The present thesis focuses on applications of numerical methods to create tools for material characterization, design and selection. The tools generated in this work incorporate a variety of programming concepts, from digital image analysis, geometry, optimization, and parallel programming to data-mining, databases and web design. The first portion of the thesis focuses on methods for characterizing clustering in bimodal 5083 Aluminum alloys created by cryomilling and powder metallurgy. The bimodal samples analyzed in the present work contain a mixture of a coarse grain phase, with a grain size on the order of several microns, and an ultra-fine grain phase, with a grain size on the order of 200 nm. The mixing of the two phases is not homogeneous and clustering is observed. To investigate clustering in these bimodal materials, various microstructures were created experimentally by conventional cryomilling, Hot Isostatic Pressing (HIP), Extrusion, Dual-Mode Dynamic Forging (DMDF) and a new 'Gradient' cryomilling process. Two techniques for quantitative clustering analysis are presented, formulated and implemented. The first technique, the Area Disorder function, provides a metric of the quality of coarse grain dispersion in an ultra-fine grain matrix and the second technique, the Two-Point Correlation function, provides a metric of long and short range spatial arrangements of the two phases, as well as an indication of the mean feature size in any direction. The two techniques are implemented on digital images created by Scanning Electron Microscopy (SEM) and Electron Backscatter Detection (EBSD) of the microstructures. To investigate structure--property relationships through modeling and simulation, strategies for generating synthetic microstructures are discussed and a computer program that generates randomized microstructures with desired configurations of clustering described by the Area Disorder Function is formulated and presented. In the computer program, two

  15. Development of computational dynamic properties analysis method and optimum design method of tissue construction under consideration of microstructure of materials for nuclear power

    International Nuclear Information System (INIS)

    Shiraishi, Haruki; Tabuchi, Masaaki; Nakasone, Yuji

    1999-01-01

    A practical reactor core material produces particles by irradiation in the matrix. The second phase particle lattice was defined and the effects of its basic parameters on the stress-strain curve were evaluated. As the basic parameters, 0.01 to 0.95 μm of particle diameter, 1.0μm of grain spacing and 0.3 of work-hardening exponent were used. The effect of the particle diameter on the stress-strain curve was studied by the large deformation finite element method. The concentration area of distortion was produced from the back of the second phase particles, and its process specified the sharp of stress-strain curve. The calculation method did not assume breaking of particles and separation of the interface of particle and matrix. So that, the values obtained showed the upper limits of strength, ductility and fracture toughness of the composite materials. (S.Y.)

  16. Towards 3rd generation organic tandem solar cells with 20% efficiency: Accelerated discovery and rational design of carbon-based photovoltaic materials through massive distributed volunteer computing

    Energy Technology Data Exchange (ETDEWEB)

    Aspuru-Guzik, Alan [Harvard Univ., Cambridge, MA (United States). Dept. of Chemistry and Chemical Biology

    2016-11-04

    Clean, affordable, and renewable energy sources are urgently needed to satisfy the 10s of terawatts (TW) energy need of human beings. Solar cells are one promising choice to replace traditional energy sources. Our broad efforts have expanded the knowledge of possible donor materials for organic photovoltaics, while increasing access of our results to the world through the Clean Energy Project database (www.molecularspace.org). Machine learning techniques, including Gaussian Processes have been used to calibrate frontier molecular orbital energies, and OPV bulk properties (open-circuit voltage, percent conversion efficiencies, and short-circuit current). This grant allowed us to delve into the solid-state properties of OPVs (charge-carrier dynamics). One particular example allowed us to predict charge-carrier dynamics and make predictions about future hydrogen-bonded materials.

  17. Computer-Aided Drug Design in Epigenetics

    Directory of Open Access Journals (Sweden)

    Wenchao Lu

    2018-03-01

    Full Text Available Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation, and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epi-probes. Finally, we discuss about major limitations of current virtual drug design strategies in epigenetics drug discovery and future directions in this field.

  18. Computer-Aided Drug Design in Epigenetics

    Science.gov (United States)

    Lu, Wenchao; Zhang, Rukang; Jiang, Hao; Zhang, Huimin; Luo, Cheng

    2018-01-01

    Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation, and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epi-probes. Finally, we discuss about major limitations of current virtual drug design strategies in epigenetics drug discovery and future directions in this field. PMID:29594101

  19. Computer-Aided Drug Design in Epigenetics

    Science.gov (United States)

    Lu, Wenchao; Zhang, Rukang; Jiang, Hao; Zhang, Huimin; Luo, Cheng

    2018-03-01

    Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epi-probes. Finally, we discuss about major limitations of current virtual drug design strategies in epigenetics drug discovery and future directions in this field.

  20. Kurver for Computer Assisteret Geometrisk Design

    DEFF Research Database (Denmark)

    Gravesen, Jens

    1999-01-01

    Dette hæfte indeholder en introduktion til computer assisteret geometrisk design (CAGD). der argumenteres for, at kurver udtrykt ved hjælp af polynomier er velegnede til design formål og at det specielt er attraktivt at bruge dem i form af Bézier-kurver.Med udgangspunkt i de Casteljau's algoritme...

  1. Computation for the analysis of designed experiments

    CERN Document Server

    Heiberger, Richard

    2015-01-01

    Addresses the statistical, mathematical, and computational aspects of the construction of packages and analysis of variance (ANOVA) programs. Includes a disk at the back of the book that contains all program codes in four languages, APL, BASIC, C, and FORTRAN. Presents illustrations of the dual space geometry for all designs, including confounded designs.

  2. The Design and Evaluation of Teaching Experiments in Computer Science.

    Science.gov (United States)

    Forcheri, Paola; Molfino, Maria Teresa

    1992-01-01

    Describes a relational model that was developed to provide a framework for the design and evaluation of teaching experiments for the introduction of computer science in secondary schools in Italy. Teacher training is discussed, instructional materials are considered, and use of the model for the evaluation process is described. (eight references)…

  3. 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.

  4. Materials Driven Architectural Design and Representation

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2015-01-01

    This paper aims to outline a framework for a deeper connection between experimentally obtained material knowledge and architectural design. While materials and architecture in the process of realisation are tightly connected, architectural design and representation are often distanced from...... another role in relation to architectural production. It is, in this paper, the intention to point at material research as an active initiator in explorative approaches to architectural design methods and architectural representation. This paper will point at the inclusion of tangible and experimental...... material research in the early phases of architectural design and to that of the architectural set of tools and representation. The paper will through use of existing research and the author’s own material research and practice suggest a way of using a combination of digital drawing, digital fabrication...

  5. 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)

  6. [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.

  7. Materials design data for fusion reactors

    International Nuclear Information System (INIS)

    Tavassoli, A.A.F.

    1998-01-01

    Design data needed for fusion reactors are characterized by the diversity of materials and the complexity of loading situations found in these reactors. In addition, advanced fabrication techniques, such as hot isostatic pressing, envisaged for fabrication of single and multilayered in-vessel components, could significantly change the original materials properties for which the current design rules are written. As a result, additional materials properties have had to be generated for fusion reactors and new structural design rules formulated. This paper recalls some of the materials properties data generated for ITER and DEMO, and gives examples of how these are converted into design criteria. In particular, it gives specific examples for the properties of 316LN-IG and modified 9Cr-1Mo steels, and CuCrZr alloy. These include, determination of tension, creep, isochronous, fatigue, and creep-fatigue curves and their analysis and conversion into design limits. (orig.)

  8. Materials design data for fusion reactors

    Energy Technology Data Exchange (ETDEWEB)

    Tavassoli, A.A.F. [CEA Commissariat a l`Energie Atomique, Gif sur Yvette (France). CEREM

    1998-10-01

    Design data needed for fusion reactors are characterized by the diversity of materials and the complexity of loading situations found in these reactors. In addition, advanced fabrication techniques, such as hot isostatic pressing, envisaged for fabrication of single and multilayered in-vessel components, could significantly change the original materials properties for which the current design rules are written. As a result, additional materials properties have had to be generated for fusion reactors and new structural design rules formulated. This paper recalls some of the materials properties data generated for ITER and DEMO, and gives examples of how these are converted into design criteria. In particular, it gives specific examples for the properties of 316LN-IG and modified 9Cr-1Mo steels, and CuCrZr alloy. These include, determination of tension, creep, isochronous, fatigue, and creep-fatigue curves and their analysis and conversion into design limits. (orig.) 19 refs.

  9. Structural and microstructural design in brittle materials

    International Nuclear Information System (INIS)

    Evans, A.G.

    1979-12-01

    Structural design with brittle materials requires that the stress level in the component correspond to a material survival probability that exceeds the minimum survival probability permitted in that application. This can be achieved by developing failure models that fully account for the probability of fracture from defects within the material (including considerations of fracture statistics, fracture mechanics and stress analysis) coupled with non-destructive techniques that determine the size of the large extreme of critical defects. Approaches for obtaining the requisite information are described. The results provide implications for the microstructural design of failure resistant brittle materials by reducing the size of deleterious defects and enhancing the fracture toughness

  10. Design tools and materials in creative work

    DEFF Research Database (Denmark)

    Hansen, Nicolai Brodersen; Dalsgaard, Peter; Halskov, Kim

    2017-01-01

    -oriented perspectives, we wish to examine the potentials and limitations in current uses of design tools and materials, and discuss and explore when and how we can introduce ones. Participation in the workshop requires participants to document and analyse central themes in a case, and the resulting material will serve......This workshop aims to examine and discuss the role and nature of design tools and materials in creative work, and to explore how novel tools can meaningfully combine existing and novel tools to support and augment creative work. By exploring and combining methodological, theoretical, and design...

  11. Electromagnetic Compatibility Design of the Computer Circuits

    Science.gov (United States)

    Zitai, Hong

    2018-02-01

    Computers and the Internet have gradually penetrated into every aspect of people’s daily work. But with the improvement of electronic equipment as well as electrical system, the electromagnetic environment becomes much more complex. Electromagnetic interference has become an important factor to hinder the normal operation of electronic equipment. In order to analyse the computer circuit compatible with the electromagnetic compatibility, this paper starts from the computer electromagnetic and the conception of electromagnetic compatibility. And then, through the analysis of the main circuit and system of computer electromagnetic compatibility problems, we can design the computer circuits in term of electromagnetic compatibility. Finally, the basic contents and methods of EMC test are expounded in order to ensure the electromagnetic compatibility of equipment.

  12. Fundamentals of computer architecture and design

    CERN Document Server

    Bindal, Ahmet

    2017-01-01

    This textbook provides semester-length coverage of computer architecture and design, providing a strong foundation for students to understand modern computer system architecture and to apply these insights and principles to future computer designs.  It is based on the author’s decades of industrial experience with computer architecture and design, as well as with teaching students focused on pursuing careers in computer engineering.  Unlike a number of existing textbooks for this course, this one focuses not only on CPU architecture, but also covers in great detail in system buses, peripherals and memories.This book teaches every element in a computing system in two steps.  First, it introduces the functionality of each topic (and subtopics) and then goes into “from-scratch design” of a particular digital block from its architectural specifications using timing diagrams.  The author describes how the data-path of a certain digital block is generated using timin g diagrams, a method which most textbo...

  13. Computer Language For Optimization Of Design

    Science.gov (United States)

    Scotti, Stephen J.; Lucas, Stephen H.

    1991-01-01

    SOL is computer language geared to solution of design problems. Includes mathematical modeling and logical capabilities of computer language like FORTRAN; also includes additional power of nonlinear mathematical programming methods at language level. SOL compiler takes SOL-language statements and generates equivalent FORTRAN code and system calls. Provides syntactic and semantic checking for recovery from errors and provides detailed reports containing cross-references to show where each variable used. Implemented on VAX/VMS computer systems. Requires VAX FORTRAN compiler to produce executable program.

  14. 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.

  15. 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.

  16. Computational Design of Molecularly Imprinted Polymers

    Science.gov (United States)

    Subrahmanyam, Sreenath; Piletsky, Sergey A.

    Artificial receptors have been in use for several decades as sensor elements, in affinity separation, and as models for investigation of molecular recognition. Although there have been numerous publications on the use of molecular modeling in characterization of their affinity and selectivity, very few attempts have been made on the application of molecular modeling in computational design of synthetic receptors. This chapter discusses recent successes in the use of computational design for the development of one particular branch of synthetic receptors - molecularly imprinted polymers.

  17. Friction material composites copper-metal-free material design perspective

    CERN Document Server

    Sundarkrishnaa, K L

    2015-01-01

    This book examines material composites used in connection with brake friction, their design and safety. To aid in understanding, the essentials of friction are explained. This second edition was extended to include friction material composites without copper, as they offer an environmentally friendlier option. The second edition is intended to support beginners by offering insights into the essentials of friction material composites, helping them to develop a broader understanding of brake friction materials. Friction materials find wide-ranging applications in household and industrial appliances, brake pads for automotive applications, rail brake friction pads and composition brake blocks. This second edition is an introductory volume to a set of related books, and is based on the author’s experience and expertise with various material manufacturers, brake manufacturers, vehicle manufacturers, researchers and testing labs around the world with which the author has been associated for the past 28 years.

  18. Thermoelectric nanomaterials materials design and applications

    CERN Document Server

    Koumoto, Kunihito

    2014-01-01

    Presently, there is an intense race throughout the world to develop good enough thermoelectric materials which can be used in wide scale applications. This book focuses comprehensively on very recent up-to-date breakthroughs in thermoelectrics utilizing nanomaterials and methods based in nanoscience. Importantly, it provides the readers with methodology and concepts utilizing atomic scale and nanoscale materials design (such as superlattice structuring, atomic network structuring and properties control, electron correlation design, low dimensionality, nanostructuring, etc.). Furthermore, also

  19. Mechanical Design Technology--Modified. (Computer Assisted Drafting, Computer Aided Design). Curriculum Grant 84/85.

    Science.gov (United States)

    Schoolcraft Coll., Livonia, MI.

    This document is a curriculum guide for a program in mechanical design technology (computer-assisted drafting and design developed at Schoolcraft College, Livonia, Michigan). The program helps students to acquire the skills of drafters and to interact with electronic equipment, with the option of becoming efficient in the computer-aided…

  20. Giga-voxel computational morphogenesis for structural design

    DEFF Research Database (Denmark)

    Aage, Niels; Andreassen, Erik; Lazarov, Boyan Stefanov

    2017-01-01

    In the design of industrial products ranging from hearing aidsto automobiles and aeroplanes, material is distributed so as to maximize the performance and minimize the cost. Historically, human intuition and insight have driven the evolution of mechanical design, recently assisted by computer...... aeroplane wing designs, which translates into are duction in fuel consumption of about 40–200 tonnes per year per aeroplane. Our morphogenesis process is generally applicable, not only to mechanical design, but also to flow systems3, antennas4,nano-optics5 and micro-systems6,7...

  1. Computational fluid dynamics in ventilation design

    CERN Document Server

    Allard, Francis; Awbi, Hazim B; Davidson, Lars; Schälin, Alois

    2007-01-01

    CFD-calculations have been rapidly developed to a powerful tool for the analysis of air pollution distribution in various spaces. However, the user of CFD-calculation should be aware of the basic principles of calculations and specifically the boundary conditions. Computational Fluid Dynamics (CFD) – in Ventilation Design models is written by a working group of highly qualified international experts representing research, consulting and design.

  2. Computer aided architectural design : futures 2001

    NARCIS (Netherlands)

    Vries, de B.; Leeuwen, van J.P.; Achten, H.H.

    2001-01-01

    CAAD Futures is a bi-annual conference that aims to promote the advancement of computer-aided architectural design in the service of those concerned with the quality of the built environment. The conferences are organized under the auspices of the CAAD Futures Foundation, which has its secretariat

  3. Slab cooling system design using computer simulation

    NARCIS (Netherlands)

    Lain, M.; Zmrhal, V.; Drkal, F.; Hensen, J.L.M.

    2007-01-01

    For a new technical library building in Prague computer simulations were carried out to help design of slab cooling system and optimize capacity of chillers. In the paper is presented concept of new technical library HVAC system, the model of the building, results of the energy simulations for

  4. Computationally designed libraries for rapid enzyme stabilization

    NARCIS (Netherlands)

    Wijma, Hein J.; Floor, Robert J.; Jekel, Peter A.; Baker, David; Marrink, Siewert J.; Janssen, Dick B.

    The ability to engineer enzymes and other proteins to any desired stability would have wide-ranging applications. Here, we demonstrate that computational design of a library with chemically diverse stabilizing mutations allows the engineering of drastically stabilized and fully functional variants

  5. Ethics in computer software design and development

    Science.gov (United States)

    Alan J. Thomson; Daniel L. Schmoldt

    2001-01-01

    Over the past 20 years, computer software has become integral and commonplace for operational and management tasks throughout agricultural and natural resource disciplines. During this software infusion, however, little thought has been afforded human impacts, both good and bad. This paper examines current ethical issues of software system design and development in...

  6. Social things : design research on social computing

    NARCIS (Netherlands)

    Hu, J.; Luen, P.; Rau, P.

    2016-01-01

    In the era of social networking and computing, things and people are more and more interconnected, giving rise to not only new opportunities but also new challenges in designing new products that are networked, and services that are adaptive to their human users and context aware in their physical

  7. The computer-aided design of rubber-metal products

    Directory of Open Access Journals (Sweden)

    Pavlo S. Shvets

    2015-12-01

    Full Text Available The important problem in design of rubber-metal products is the optimization of their mass without sacrificing of proportionality factor is in the limits of standard. Aim: The aim of this work is to improve the computer-aided systems by development and implementation of improved optimization method in rubber-metal CAD systems for designers based on the reverse optimization. Materials and Methods: The paper studies the matters of computer-aided structural design of technical composite products composed of anisotropic materials that are essentially different in properties. Results: The structure of CAD systems for designers solving the problems of such design is offered and the work principles of its subsystems are described. It is shown that complicated systems optimization in CAD systems must consider as restrictions the entitative connection between separate elements of these systems within the area of the optimizing arguments. Conclusions: The problem of the “reverse” optimization when objective functions are the connectivity area parameters is considered. In many cases, this allows receiving solutions that are more effective during the computer-aided design process. The developed CAD system for designers was used during the production of rubber-metal shock absorbers at the Odessa Rubber Technical Articles Plant. The positive technical and economic effect was obtained.

  8. Computational Design of Ageless Structural Materials

    Data.gov (United States)

    National Aeronautics and Space Administration — The focus of this project is to link microstructure, mechanical performance, and processing of additively manufactured titanium alloys.  Ultimately, linking such...

  9. 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.

  10. DESIGN OF PARTICULATE MATERIAL COMPACTOR ROLLS DIAMETER

    Directory of Open Access Journals (Sweden)

    Peter Peciar

    2017-09-01

    Full Text Available At present, in a period of an industrial expansion great emphasis is placed on the environment. That means aiming for a reduced energy consumption, and also lessening dustiness from very fine powder material. This category also includes particulate material agglomeration processes. Because this process is very energy-intensive, it is necessary to correctly design these devices. The aim of this paper is to focus on a theoretical design of a production compactor with the rolls diameter for an experimental particulate material, based on Johanson’s theory and experimentally measured material properties. The material used for experimental measurements was an NPK-based industrial fertilizer consisting of several components. The results of this paper is the dependence of the ratio of the maximum compression pressure to the initial compression pressure from the rolls diameter of the proposed compactor.

  11. 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

  12. Computational Design of Advanced Nuclear Fuels

    International Nuclear Information System (INIS)

    Savrasov, Sergey; Kotliar, Gabriel; Haule, Kristjan

    2014-01-01

    The objective of the project was to develop a method for theoretical understanding of nuclear fuel materials whose physical and thermophysical properties can be predicted from first principles using a novel dynamical mean field method for electronic structure calculations. We concentrated our study on uranium, plutonium, their oxides, nitrides, carbides, as well as some rare earth materials whose 4f eletrons provide a simplified framework for understanding complex behavior of the f electrons. We addressed the issues connected to the electronic structure, lattice instabilities, phonon and magnon dynamics as well as thermal conductivity. This allowed us to evaluate characteristics of advanced nuclear fuel systems using computer based simulations and avoid costly experiments.

  13. Computational Chemical Synthesis Analysis and Pathway Design

    Directory of Open Access Journals (Sweden)

    Fan Feng

    2018-06-01

    Full Text Available With the idea of retrosynthetic analysis, which was raised in the 1960s, chemical synthesis analysis and pathway design have been transformed from a complex problem to a regular process of structural simplification. This review aims to summarize the developments of computer-assisted synthetic analysis and design in recent years, and how machine-learning algorithms contributed to them. LHASA system started the pioneering work of designing semi-empirical reaction modes in computers, with its following rule-based and network-searching work not only expanding the databases, but also building new approaches to indicating reaction rules. Programs like ARChem Route Designer replaced hand-coded reaction modes with automatically-extracted rules, and programs like Chematica changed traditional designing into network searching. Afterward, with the help of machine learning, two-step models which combine reaction rules and statistical methods became the main stream. Recently, fully data-driven learning methods using deep neural networks which even do not require any prior knowledge, were applied into this field. Up to now, however, these methods still cannot replace experienced human organic chemists due to their relatively low accuracies. Future new algorithms with the aid of powerful computational hardware will make this topic promising and with good prospects.

  14. Computer-assisted spectral design and synthesis

    Science.gov (United States)

    Vadakkumpadan, Fijoy; Wang, Qiqi; Sun, Yinlong

    2005-01-01

    In this paper, we propose a computer-assisted approach for spectral design and synthesis. This approach starts with some initial spectrum, modifies it interactively, evaluates the change, and decides the optimal spectrum. Given a requested change as function of wavelength, we model the change function using a Gaussian function. When there is the metameric constraint, from the Gaussian function of request change, we propose a method to generate the change function such that the result spectrum has the same color as the initial spectrum. We have tested the proposed method with different initial spectra and change functions, and implemented an interactive graphics environment for spectral design and synthesis. The proposed approach and graphics implementation for spectral design and synthesis can be helpful for a number of applications such as lighting of building interiors, textile coloration, and pigment development of automobile paints, and spectral computer graphics.

  15. Battery designs with high capacity anode materials and cathode materials

    Energy Technology Data Exchange (ETDEWEB)

    Masarapu, Charan; Anguchamy, Yogesh Kumar; Han, Yongbong; Deng, Haixia; Kumar, Sujeet; Lopez, Herman A.

    2017-10-03

    Improved high energy capacity designs for lithium ion batteries are described that take advantage of the properties of high specific capacity anode active compositions and high specific capacity cathode active compositions. In particular, specific electrode designs provide for achieving very high energy densities. Furthermore, the complex behavior of the active materials is used advantageously in a radical electrode balancing design that significantly reduced wasted electrode capacity in either electrode when cycling under realistic conditions of moderate to high discharge rates and/or over a reduced depth of discharge.

  16. Geometric modeling for computer aided design

    Science.gov (United States)

    Schwing, James L.; Olariu, Stephen

    1995-01-01

    The primary goal of this grant has been the design and implementation of software to be used in the conceptual design of aerospace vehicles particularly focused on the elements of geometric design, graphical user interfaces, and the interaction of the multitude of software typically used in this engineering environment. This has resulted in the development of several analysis packages and design studies. These include two major software systems currently used in the conceptual level design of aerospace vehicles. These tools are SMART, the Solid Modeling Aerospace Research Tool, and EASIE, the Environment for Software Integration and Execution. Additional software tools were designed and implemented to address the needs of the engineer working in the conceptual design environment. SMART provides conceptual designers with a rapid prototyping capability and several engineering analysis capabilities. In addition, SMART has a carefully engineered user interface that makes it easy to learn and use. Finally, a number of specialty characteristics have been built into SMART which allow it to be used efficiently as a front end geometry processor for other analysis packages. EASIE provides a set of interactive utilities that simplify the task of building and executing computer aided design systems consisting of diverse, stand-alone, analysis codes. Resulting in a streamlining of the exchange of data between programs reducing errors and improving the efficiency. EASIE provides both a methodology and a collection of software tools to ease the task of coordinating engineering design and analysis codes.

  17. Computer codes for designing proton linear accelerators

    International Nuclear Information System (INIS)

    Kato, Takao

    1992-01-01

    Computer codes for designing proton linear accelerators are discussed from the viewpoint of not only designing but also construction and operation of the linac. The codes are divided into three categories according to their purposes: 1) design code, 2) generation and simulation code, and 3) electric and magnetic fields calculation code. The role of each category is discussed on the basis of experience at KEK (the design of the 40-MeV proton linac and its construction and operation, and the design of the 1-GeV proton linac). We introduce our recent work relevant to three-dimensional calculation and supercomputer calculation: 1) tuning of MAFIA (three-dimensional electric and magnetic fields calculation code) for supercomputer, 2) examples of three-dimensional calculation of accelerating structures by MAFIA, 3) development of a beam transport code including space charge effects. (author)

  18. Designing Scientific Software for Heterogeneous Computing

    DEFF Research Database (Denmark)

    Glimberg, Stefan Lemvig

    , algorithms and data structures must be designed to utilize the underlying parallel architecture. The architectural changes in hardware design within the last decade, from single to multi and many-core architectures, require software developers to identify and properly implement methods that both exploit...... makes parallel software design applicable, but also a challenge for scientific software developers at all levels. We have developed a generic C++ library for fast prototyping of large-scale PDEs solvers based on flexible-order finite difference approximations on structured regular grids. The library...... is designed with a high abstraction interface to improve developer productivity. The library is based on modern template-based design concepts as described in Glimberg, Engsig-Karup, Nielsen & Dammann (2013). The library utilizes heterogeneous CPU/GPU environments in order to maximize computational throughput...

  19. Towards the computational design of solid catalysts

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet; Bligaard, Thomas; Rossmeisl, Jan

    2009-01-01

    Over the past decade the theoretical description of surface reactions has undergone a radical development. Advances in density functional theory mean it is now possible to describe catalytic reactions at surfaces with the detail and accuracy required for computational results to compare favourably...... with experiments. Theoretical methods can be used to describe surface chemical reactions in detail and to understand variations in catalytic activity from one catalyst to another. Here, we review the first steps towards using computational methods to design new catalysts. Examples include screening for catalysts...

  20. Autonomic computing enabled cooperative networked design

    CERN Document Server

    Wodczak, Michal

    2014-01-01

    This book introduces the concept of autonomic computing driven cooperative networked system design from an architectural perspective. As such it leverages and capitalises on the relevant advancements in both the realms of autonomic computing and networking by welding them closely together. In particular, a multi-faceted Autonomic Cooperative System Architectural Model is defined which incorporates the notion of Autonomic Cooperative Behaviour being orchestrated by the Autonomic Cooperative Networking Protocol of a cross-layer nature. The overall proposed solution not only advocates for the inc

  1. MDTS: automatic complex materials design using Monte Carlo tree search

    Science.gov (United States)

    Dieb, Thaer M.; Ju, Shenghong; Yoshizoe, Kazuki; Hou, Zhufeng; Shiomi, Junichiro; Tsuda, Koji

    2017-12-01

    Complex materials design is often represented as a black-box combinatorial optimization problem. In this paper, we present a novel python library called MDTS (Materials Design using Tree Search). Our algorithm employs a Monte Carlo tree search approach, which has shown exceptional performance in computer Go game. Unlike evolutionary algorithms that require user intervention to set parameters appropriately, MDTS has no tuning parameters and works autonomously in various problems. In comparison to a Bayesian optimization package, our algorithm showed competitive search efficiency and superior scalability. We succeeded in designing large Silicon-Germanium (Si-Ge) alloy structures that Bayesian optimization could not deal with due to excessive computational cost. MDTS is available at https://github.com/tsudalab/MDTS.

  2. Implications of materials behavior on design codes

    International Nuclear Information System (INIS)

    Roberts, D.I.

    1981-01-01

    In the U.S., the design of Class 1 elevated-temperature components of reactor systems is governed by the rules of ASME Boiler and Pressure Vessel Cases N47 (design) and N48 (construction). The rules of Case N47, in particular, are sophisticated and complex, and a substantial quantity of materials behavior data is needed to design to these rules. Requirements include a detailed knowledge of creep, rupture, creep-fatigue, etc. In addition, many other factors, including such aspects as the influence on service performance of environment, welds, and fabrication-induced cold work, must be considered in the design. This paper reviews the impact of some recent HTGR materials data on design rules and approaches. (Auth.)

  3. The automated design of materials far from equilibrium

    Science.gov (United States)

    Miskin, Marc Z.

    Automated design is emerging as a powerful concept in materials science. By combining computer algorithms, simulations, and experimental data, new techniques are being developed that start with high level functional requirements and identify the ideal materials that achieve them. This represents a radically different picture of how materials become functional in which technological demand drives material discovery, rather than the other way around. At the frontiers of this field, materials systems previously considered too complicated can start to be controlled and understood. Particularly promising are materials far from equilibrium. Material robustness, high strength, self-healing and memory are properties displayed by several materials systems that are intrinsically out of equilibrium. These and other properties could be revolutionary, provided they can first be controlled. This thesis conceptualizes and implements a framework for designing materials that are far from equilibrium. We show how, even in the absence of a complete physical theory, design from the top down is possible and lends itself to producing physical insight. As a prototype system, we work with granular materials: collections of athermal, macroscopic identical objects, since these materials function both as an essential component of industrial processes as well as a model system for many non-equilibrium states of matter. We show that by placing granular materials in the context of design, benefits emerge simultaneously for fundamental and applied interests. As first steps, we use our framework to design granular aggregates with extreme properties like high stiffness, and softness. We demonstrate control over nonlinear effects by producing exotic aggregates that stiffen under compression. Expanding on our framework, we conceptualize new ways of thinking about material design when automatic discovery is possible. We show how to build rules that link particle shapes to arbitrary granular packing

  4. [Clinical skills and outcomes of chair-side computer aided design and computer aided manufacture system].

    Science.gov (United States)

    Yu, Q

    2018-04-09

    Computer aided design and computer aided manufacture (CAD/CAM) technology is a kind of oral digital system which is applied to clinical diagnosis and treatment. It overturns the traditional pattern, and provides a solution to restore defect tooth quickly and efficiently. In this paper we mainly discuss the clinical skills of chair-side CAD/CAM system, including tooth preparation, digital impression, the three-dimensional design of prosthesis, numerical control machining, clinical bonding and so on, and review the outcomes of several common kinds of materials at the same time.

  5. Study of New Materials Design based on Hadoop

    Directory of Open Access Journals (Sweden)

    Wu Jun

    2016-01-01

    Full Text Available With the rapid development of information technology, the scientific research shows that the data mining and other information technology could be used in the design of new materials. It is explicit that Intelligent Materials research focuses on using physical and chemical principles combined with computer techniques such as Big Data, Cloud computing and Intelligent modeling and simulation to solve chemical problems. In this paper, based on the cluster based outlier algorithm as the main body, this paper discusses the definition New Materials research In the Hadoop cloud platform, and the parallel processing of Map-Reduce model. The performance this model of new material was established by using the method of Map-Reduction provided the basis for the performance optimization.

  6. Achievements and Challenges in Computational Protein Design.

    Science.gov (United States)

    Samish, Ilan

    2017-01-01

    Computational protein design (CPD), a yet evolving field, includes computer-aided engineering for partial or full de novo designs of proteins of interest. Designs are defined by a requested structure, function, or working environment. This chapter describes the birth and maturation of the field by presenting 101 CPD examples in a chronological order emphasizing achievements and pending challenges. Integrating these aspects presents the plethora of CPD approaches with the hope of providing a "CPD 101". These reflect on the broader structural bioinformatics and computational biophysics field and include: (1) integration of knowledge-based and energy-based methods, (2) hierarchical designated approach towards local, regional, and global motifs and the integration of high- and low-resolution design schemes that fit each such region, (3) systematic differential approaches towards different protein regions, (4) identification of key hot-spot residues and the relative effect of remote regions, (5) assessment of shape-complementarity, electrostatics and solvation effects, (6) integration of thermal plasticity and functional dynamics, (7) negative design, (8) systematic integration of experimental approaches, (9) objective cross-assessment of methods, and (10) successful ranking of potential designs. Future challenges also include dissemination of CPD software to the general use of life-sciences researchers and the emphasis of success within an in vivo milieu. CPD increases our understanding of protein structure and function and the relationships between the two along with the application of such know-how for the benefit of mankind. Applied aspects range from biological drugs, via healthier and tastier food products to nanotechnology and environmentally friendly enzymes replacing toxic chemicals utilized in the industry.

  7. Giga-voxel computational morphogenesis for structural design

    Science.gov (United States)

    Aage, Niels; Andreassen, Erik; Lazarov, Boyan S.; Sigmund, Ole

    2017-10-01

    In the design of industrial products ranging from hearing aids to automobiles and aeroplanes, material is distributed so as to maximize the performance and minimize the cost. Historically, human intuition and insight have driven the evolution of mechanical design, recently assisted by computer-aided design approaches. The computer-aided approach known as topology optimization enables unrestricted design freedom and shows great promise with regard to weight savings, but its applicability has so far been limited to the design of single components or simple structures, owing to the resolution limits of current optimization methods. Here we report a computational morphogenesis tool, implemented on a supercomputer, that produces designs with giga-voxel resolution—more than two orders of magnitude higher than previously reported. Such resolution provides insights into the optimal distribution of material within a structure that were hitherto unachievable owing to the challenges of scaling up existing modelling and optimization frameworks. As an example, we apply the tool to the design of the internal structure of a full-scale aeroplane wing. The optimized full-wing design has unprecedented structural detail at length scales ranging from tens of metres to millimetres and, intriguingly, shows remarkable similarity to naturally occurring bone structures in, for example, bird beaks. We estimate that our optimized design corresponds to a reduction in mass of 2-5 per cent compared to currently used aeroplane wing designs, which translates into a reduction in fuel consumption of about 40-200 tonnes per year per aeroplane. Our morphogenesis process is generally applicable, not only to mechanical design, but also to flow systems, antennas, nano-optics and micro-systems.

  8. Rational design of reconfigurable prismatic architected materials

    Science.gov (United States)

    Overvelde, Johannes T. B.; Weaver, James C.; Hoberman, Chuck; Bertoldi, Katia

    2017-01-01

    Advances in fabrication technologies are enabling the production of architected materials with unprecedented properties. Most such materials are characterized by a fixed geometry, but in the design of some materials it is possible to incorporate internal mechanisms capable of reconfiguring their spatial architecture, and in this way to enable tunable functionality. Inspired by the structural diversity and foldability of the prismatic geometries that can be constructed using the snapology origami technique, here we introduce a robust design strategy based on space-filling tessellations of polyhedra to create three-dimensional reconfigurable materials comprising a periodic assembly of rigid plates and elastic hinges. Guided by numerical analysis and physical prototypes, we systematically explore the mobility of the designed structures and identify a wide range of qualitatively different deformations and internal rearrangements. Given that the underlying principles are scale-independent, our strategy can be applied to the design of the next generation of reconfigurable structures and materials, ranging from metre-scale transformable architectures to nanometre-scale tunable photonic systems.

  9. Extending ITER materials design to welded joints

    Energy Technology Data Exchange (ETDEWEB)

    Tavassoli, A.-A.F. [DMN/Dir, CEA/Saclay, Commissariat a l' Energie Atomique, 91191 Gif sur Yvette cedex (France)]. E-mail: tavassoli@cea.fr

    2007-08-01

    This paper extends the ITER materials properties documentation to weld metals and incorporates the needs of Test Blanket Modules for higher temperature materials properties. Since the main structural material selected for ITER is type 316L(N)-IG, the paper is focused on weld metals and joining techniques for this steel. Materials properties data are analysed according to the French design and construction rules for nuclear components (RCC-MR) and design allowables are equally derived using the same rules. Particular attention is paid to the type of weld metal, to the type and position of welding and their influence on the materials properties data and design allowables. The primary goal of this work, starting with 19-12-2 weld metal, is to produce comprehensive materials properties documentations that when combined with codification and inspection documents would satisfy ITER licensing needs. As a result, structural stability and capability of welded joints during manufacturing of ITER components and their subsequent service, including the effects of irradiation and eventual incidental or accidental situations, are also covered.

  10. A conceptual gamma shield design using the DRP model computation

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, E E [Reactor Department, Nuclear Research Center, Atomic Energy Authority, Cairo (Egypt); Rahman, F A [National Center of Nuclear Safety and Radiation Control, Atomic Energy Authority, Cairo (Egypt)

    1997-12-31

    The purpose of this investigation is to assess basic areas of concern in the development of reactor shielding conceptual design calculations. A spherical shield model composed of low carbon steel and lead have been constructed to surround a Co-60 gamma point source. two alternative configurations have been considered in the model computation. The numerical calculations have been performed using both the ANISN code and DRP model computation together with the DLC 75-Bugle 80 data library. A resume of results for deep penetration in different shield materials with different packing densities is presented and analysed. The results showed that the gamma fluxes attenuation is increased with increasing distribution the packing density of the shield material which reflects its importance of considering it as a safety parameter in shielding design. 3 figs.

  11. Reliable computer systems design and evaluatuion

    CERN Document Server

    Siewiorek, Daniel

    2014-01-01

    Enhance your hardware/software reliabilityEnhancement of system reliability has been a major concern of computer users and designers ¦ and this major revision of the 1982 classic meets users' continuing need for practical information on this pressing topic. Included are case studies of reliablesystems from manufacturers such as Tandem, Stratus, IBM, and Digital, as well as coverage of special systems such as the Galileo Orbiter fault protection system and AT&T telephone switching processors.

  12. Soft Computing Methods in Design of Superalloys

    Science.gov (United States)

    Cios, K. J.; Berke, L.; Vary, A.; Sharma, S.

    1996-01-01

    Soft computing techniques of neural networks and genetic algorithms are used in the design of superalloys. The cyclic oxidation attack parameter K(sub a), generated from tests at NASA Lewis Research Center, is modelled as a function of the superalloy chemistry and test temperature using a neural network. This model is then used in conjunction with a genetic algorithm to obtain an optimized superalloy composition resulting in low K(sub a) values.

  13. High-throughput theoretical design of lithium battery materials

    International Nuclear Information System (INIS)

    Ling Shi-Gang; Gao Jian; Xiao Rui-Juan; Chen Li-Quan

    2016-01-01

    The rapid evolution of high-throughput theoretical design schemes to discover new lithium battery materials is reviewed, including high-capacity cathodes, low-strain cathodes, anodes, solid state electrolytes, and electrolyte additives. With the development of efficient theoretical methods and inexpensive computers, high-throughput theoretical calculations have played an increasingly important role in the discovery of new materials. With the help of automatic simulation flow, many types of materials can be screened, optimized and designed from a structural database according to specific search criteria. In advanced cell technology, new materials for next generation lithium batteries are of great significance to achieve performance, and some representative criteria are: higher energy density, better safety, and faster charge/discharge speed. (topical review)

  14. Design of an intelligent materials data base for the IFR

    International Nuclear Information System (INIS)

    Mikaili, R.; Lambert, J.D.B.; Orth, T.D.

    1992-01-01

    In the development of the integral fast reactor (IFR) concept, there is a consensus that materials considerations are an important part of the reactor design, operation, and maintenance and that materials performance is central to liquid-metal reactor reliability and safety. In the design of the IRF materials data base, artificial intelligence techniques are being used to ensure efficient control of information. Intelligent control will provide for the selection of menus to be displayed, efficient data-base searches, and application-dependent guidance through the data base. The development of the IRF data base has progressed to the point of (a) completing the design of the data-base architecture and tables, (b) installing computer hardware for storing large amounts of data, (c) outlining strategies for data transferal, and (d) identifying ways to validate and secure the integrity of data

  15. Molecular designing of nanoparticles and functional materials

    Directory of Open Access Journals (Sweden)

    Ignjatović Nenad L.

    2017-01-01

    Full Text Available The interdisciplinary research team implemented the program titled “Molecular designing of nanoparticles with controlled morphological and physicochemical characteristics and functional materials based on them” (MODENAFUNA, between 2011 and 2016, gaining new knowledge significant to the further improvement of nanomaterials and nanotechnologies. It gathered under its umbrella six main interrelated topics pertaining to the design and control of morphological and physicochemical properties of nanoparticles and functional material based on them using new methods of synthesis and processing: 1 inorganic nanoparticles, 2 cathode materials for lithium-ion batteries, 3 functional ceramics with improved electrical and optical properties, 4 full density nanostructured calcium phosphate and functionally-graded materials, 5 nano-calcium phosphate in bone tissue engineering and 6 biodegradable micro- and nano-particles for the controlled delivery of medicaments. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III45004: Molecular designing of nanoparticles with controlled morphological and physicochemical characteristics and functional materials based on them

  16. Design of POLCA material control systems

    NARCIS (Netherlands)

    Riezebos, J.

    2010-01-01

    POLCA is a material control system designed for make-to-order or engineer-to-order companies. These firms have to cope with a high variety of customised products, and strong pressure to provide short throughput times. POLCA constrains the amount of work in progress on the shop floor in order to

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-07-08

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

  18. Computer-Aided Design of Antimicrobial Peptides

    DEFF Research Database (Denmark)

    Fjell, Christopher D.; Hancock, Robert E.W.; Jenssen, Håvard

    2010-01-01

    in antimicrobial activity. Consequently, the majority of peptides put into clinical trials have failed at some point, underlining the importance of a thorough peptide optimization. An important tool in peptide design and optimization is quantitative structure-activity relationship (QSAR) analysis, correlating...... chemical parameters with biological activities of the peptide, using statistical methods. In this review we will discuss two different in silico strategies of computer-aided antibacterial peptide design, a linear correlation model build as an extension of traditional principal component analysis (PCA......) and a non-linear artificial neural network model. Studies on structurally diverse peptides, have concluded that the PCA derived model are able to guide the antibacterial peptide design in a meaningful way, however requiring rather a high homology between the peptides in the test-set and the in silico...

  19. Implications of materials behavior on design codes

    International Nuclear Information System (INIS)

    Roberts, D.I.

    1981-04-01

    In the US, the design of Class 1 elevated-temperature components of reactor systems is governed by the rules of ASME Boiler and Pressure Vessel Cases N47 (design) and N48 (construction). The rules of Case N47, in particular, are sophisticated and complex, and a substantial quantity of materials behavior data is needed to design to these rules. Requirements include a detailed knowledge of creep, rupture, creep-fatigue, etc. In addition, many other factors, including such aspects as the influence on service performance of environment, welds, and fabrication-induced cold work, must be considered in the design. This paper reviews the impact of some recent HTGR materials data on design rules and approaches. In the construction area, for example, recent data regarding the elevated-temperature properties and behavior of cold-formed austenitic materials such as Alloy 800H have resulted in rule changes. Observed creep-fatigue behavior of Alloy 800H and 2-1/4Cr to 1Mo steel is causing active review of the pertinence of linear damage summation approaches

  20. Computational design of patterned interfaces using reduced order models

    International Nuclear Information System (INIS)

    Vattre, A.J.; Abdolrahim, N.; Kolluri, K.; Demkowicz, M.J.

    2014-01-01

    Patterning is a familiar approach for imparting novel functionalities to free surfaces. We extend the patterning paradigm to interfaces between crystalline solids. Many interfaces have non-uniform internal structures comprised of misfit dislocations, which in turn govern interface properties. We develop and validate a computational strategy for designing interfaces with controlled misfit dislocation patterns by tailoring interface crystallography and composition. Our approach relies on a novel method for predicting the internal structure of interfaces: rather than obtaining it from resource-intensive atomistic simulations, we compute it using an efficient reduced order model based on anisotropic elasticity theory. Moreover, our strategy incorporates interface synthesis as a constraint on the design process. As an illustration, we apply our approach to the design of interfaces with rapid, 1-D point defect diffusion. Patterned interfaces may be integrated into the microstructure of composite materials, markedly improving performance. (authors)

  1. Computational design and experimental validation of new thermal barrier systems

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Shengmin [Louisiana State Univ., Baton Rouge, LA (United States)

    2015-03-31

    The focus of this project is on the development of a reliable and efficient ab initio based computational high temperature material design method which can be used to assist the Thermal Barrier Coating (TBC) bond-coat and top-coat design. Experimental evaluations on the new TBCs are conducted to confirm the new TBCs’ properties. Southern University is the subcontractor on this project with a focus on the computational simulation method development. We have performed ab initio density functional theory (DFT) method and molecular dynamics simulation on screening the top coats and bond coats for gas turbine thermal barrier coating design and validation applications. For experimental validations, our focus is on the hot corrosion performance of different TBC systems. For example, for one of the top coatings studied, we examined the thermal stability of TaZr2.75O8 and confirmed it’s hot corrosion performance.

  2. 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…

  3. Computational Design of Animated Mechanical Characters

    Science.gov (United States)

    Coros, Stelian; Thomaszewski, Bernhard; DRZ Team Team

    2014-03-01

    A factor key to the appeal of modern CG movies and video-games is that the virtual worlds they portray place no bounds on what can be imagined. Rapid manufacturing devices hold the promise of bringing this type of freedom to our own world, by enabling the fabrication of physical objects whose appearance, deformation behaviors and motions can be precisely specified. In order to unleash the full potential of this technology however, computational design methods that create digital content suitable for fabrication need to be developed. In recent work, we presented a computational design system that allows casual users to create animated mechanical characters. Given an articulated character as input, the user designs the animated character by sketching motion curves indicating how they should move. For each motion curve, our framework creates an optimized mechanism that reproduces it as closely as possible. The resulting mechanisms are attached to the character and then connected to each other using gear trains, which are created in a semi-automated fashion. The mechanical assemblies generated with our system can be driven with a single input driver, such as a hand-operated crank or an electric motor, and they can be fabricated using rapid prototyping devices.

  4. The materials challenge for LFR core design

    International Nuclear Information System (INIS)

    Grasso, Giacomo; Agostini, Pietro

    2013-01-01

    LFR share the main issues of all Fast Reactors, while presenting specific issues due to the use of lead as coolant. A number of constraints impairs the design of a LFR core, possibly resulting in a viability domain not exploitable for producing electricity in an efficient (hence economic) way. In particular, the most restrictive issues to be faced pend on the cladding. The selection of proper cladding materials provides the solution for the issues impairing the resistance of the cladding against stresses and irradiation effects. On the other hand, the protection of the cladding requires surface protections like oxide scales (passivation) or adherent layers (coating). Oxide scales seem not sufficient for a stable and effective protection of the base material. The application of adherent layers seems the only promising solution for protecting the cladding against corrosion. For the short term (i.e.: ALFRED), advanced 15/15Ti with coating is the reference solution for the cladding, allowing a core design complying with all the design constraints and goals. The candidate coatings are already being tested under irradiation to proceed towards qualification. In parallel, new base materials and/or coatings are presently under investigation. For the long term (i.e.: ELFR), the availability of such advanced materials/coatings might allow the extension of the viability domain towards higher and broader ranges (temperature, dpa, etc.), extending the fields of applications of LFRs and resulting in higher performances

  5. Material selection for design, manufacturing and application

    International Nuclear Information System (INIS)

    Zaid, A.I.O.

    2011-01-01

    Developing a new engineering material product or changing an existing one requires new design selecting material and choosing appropriate and economical manufacturing processes. These three main factors play a great role on the performance of the product in service. These items are independent and should not be performed in isolation from each other. With the great advancement of technology in the last decade and with the greater number of engineering materials which are now available, together with the increasing pressure to produce more economic and get reliable products an integrated approach which considers design, material selection and the appropriate manufacturing process makes it easier to achieve the optimum product that combines the functional requirements with the reliability at competitive cost. These diverse activities or items are interdependent; therefore should not be considered in isolation from each other, for example, it is not sufficient that design of the product should satisfy the technical, safety and legal requirements, it must also be possible to be manufactured economically and to be sold at a competitive price and easily disposed at the end of its working life cycle. In this paper, the interaction of these items together in order to arrive to the optimum solution for a particular application are given and discussed. (author)

  6. ITER status, design and material objectives

    International Nuclear Information System (INIS)

    Aymar, R.

    2002-01-01

    During the ITER Engineering Design Activities (EDA), completed in July 2001, the Joint Central Team and Home Teams developed a robust design of ITER, summarised in this paper, with parameters which fully meet the required scientific and technological objectives, construction costs and safety requirements, with appropriate margins. The design is backed by R and D to qualify the technology, including materials R and D. Materials for ITER components have been selected largely because of their availability and well-established manufacturing technologies, taking account of the low fluence experienced during neutron irradiation, and the experimental nature of the device. Nevertheless, for specific needs relevant to a future fusion reactor, improved materials, in particular for magnet structures, in-vessel components, and joints between the different materials needed for plasma facing components, have been successfully developed. Now, with the technical readiness to decide on ITER construction, negotiations, supported by coordinated technical activities of an international team and teams from participant countries, are underway on joint construction of ITER with a view to the signature/ratification of an agreement in 2003

  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. 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...

  9. 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...

  10. Comprehensive computational design of ordered peptide macrocycles

    Science.gov (United States)

    Hosseinzadeh, Parisa; Bhardwaj, Gaurav; Mulligan, Vikram Khipple; Shortridge, Matthew D.; Craven, Timothy W.; Pardo-Avila, Fátima; Rettie, Stephen A.; Kim, David E.; Silva, Daniel-Adriano; Ibrahim, Yehia M.; Webb, Ian K.; Cort, John R.; Adkins, Joshua N.; Varani, Gabriele; Baker, David

    2018-01-01

    Mixed-chirality peptide macrocycles such as cyclosporine are among the most potent therapeutics identified to date, but there is currently no way to systematically search the structural space spanned by such compounds. Natural proteins do not provide a useful guide: Peptide macrocycles lack regular secondary structures and hydrophobic cores, and can contain local structures not accessible with L-amino acids. Here, we enumerate the stable structures that can be adopted by macrocyclic peptides composed of L- and D-amino acids by near-exhaustive backbone sampling followed by sequence design and energy landscape calculations. We identify more than 200 designs predicted to fold into single stable structures, many times more than the number of currently available unbound peptide macrocycle structures. Nuclear magnetic resonance structures of 9 of 12 designed 7- to 10-residue macrocycles, and three 11- to 14-residue bicyclic designs, are close to the computational models. Our results provide a nearly complete coverage of the rich space of structures possible for short peptide macrocycles and vastly increase the available starting scaffolds for both rational drug design and library selection methods. PMID:29242347

  11. Computer-aided control system design

    International Nuclear Information System (INIS)

    Lebenhaft, J.R.

    1986-01-01

    Control systems are typically implemented using conventional PID controllers, which are then tuned manually during plant commissioning to compensate for interactions between feedback loops. As plants increase in size and complexity, such controllers can fail to provide adequate process regulations. Multivariable methods can be utilized to overcome these limitations. At the Chalk River Nuclear Laboratories, modern control systems are designed and analyzed with the aid of MVPACK, a system of computer programs that appears to the user like a high-level calculator. The software package solves complicated control problems, and provides useful insight into the dynamic response and stability of multivariable systems

  12. SPACEBAR: Kinematic design by computer graphics

    Science.gov (United States)

    Ricci, R. J.

    1975-01-01

    The interactive graphics computer program SPACEBAR, conceived to reduce the time and complexity associated with the development of kinematic mechanisms on the design board, was described. This program allows the direct design and analysis of mechanisms right at the terminal screen. All input variables, including linkage geometry, stiffness, and applied loading conditions, can be fed into or changed at the terminal and may be displayed in three dimensions. All mechanism configurations can be cycled through their range of travel and viewed in their various geometric positions. Output data includes geometric positioning in orthogonal coordinates of each node point in the mechanism, velocity and acceleration of the node points, and internal loads and displacements of the node points and linkages. All analysis calculations take at most a few seconds to complete. Output data can be viewed at the scope and also printed at the discretion of the user.

  13. Computational network design from functional specifications

    KAUST Repository

    Peng, Chi Han

    2016-07-11

    Connectivity and layout of underlying networks largely determine agent behavior and usage in many environments. For example, transportation networks determine the flow of traffic in a neighborhood, whereas building floorplans determine the flow of people in a workspace. Designing such networks from scratch is challenging as even local network changes can have large global effects. We investigate how to computationally create networks starting from only high-level functional specifications. Such specifications can be in the form of network density, travel time versus network length, traffic type, destination location, etc. We propose an integer programming-based approach that guarantees that the resultant networks are valid by fulfilling all the specified hard constraints and that they score favorably in terms of the objective function. We evaluate our algorithm in two different design settings, street layout and floorplans to demonstrate that diverse networks can emerge purely from high-level functional specifications.

  14. Computer design of a compact cyclotron

    International Nuclear Information System (INIS)

    Bing Wang; Huanfeng Hao; Qinggao Yao; Jinquan Zhang; Mingtao Song; Vorozhtsov, S.B.; Smirnov, V.L.; Hongwei Zhao

    2011-01-01

    Here we present results of the computer design of the structural elements of a compact cyclotron by the example of HITFiL cyclotron selected as the driving accelerator that is under construction at the Institute of Modern Physics (Lanzhou, China). In the article a complex approach to modeling of the compact cyclotron, including calculation of electromagnetic fields of the structural elements and beam dynamics calculations, is described. The existing design data on the axial injection, magnetic, acceleration and extraction systems of the cyclotron are used as a starting point in the simulation. Some of the upgrades of the cyclotron structural elements were proposed, which led to substantial improvement of the beam quality and transmission

  15. Computer architecture fundamentals and principles of computer design

    CERN Document Server

    Dumas II, Joseph D

    2005-01-01

    Introduction to Computer ArchitectureWhat is Computer Architecture?Architecture vs. ImplementationBrief History of Computer SystemsThe First GenerationThe Second GenerationThe Third GenerationThe Fourth GenerationModern Computers - The Fifth GenerationTypes of Computer SystemsSingle Processor SystemsParallel Processing SystemsSpecial ArchitecturesQuality of Computer SystemsGenerality and ApplicabilityEase of UseExpandabilityCompatibilityReliabilitySuccess and Failure of Computer Architectures and ImplementationsQuality and the Perception of QualityCost IssuesArchitectural Openness, Market Timi

  16. Urban public space materials. Maintenance and design?

    Directory of Open Access Journals (Sweden)

    Manuel Iglesias Campos

    2016-10-01

    Full Text Available In this paper, certain aspects related to the conservation of materials commonly used in the design of public spaces are analysed and discussed from a starting point of maintenance definition. The main area of discussion is whether materials selection for pavements and urban furniture, and their placement in the designed space, take into account their maintenance needs. Here the definition of maintenance is the cleaning and repair done by municipal services that is always necessary after construction. From certain examples it can be concluded that, in several cases, the form, the organization and the distribution of the different elements within the public space can cause difficulties for its appropriate conservation, giving rise to alterations and consequently having a negative impact on the durability of this space.

  17. Computational design of RNAs with complex energy landscapes.

    Science.gov (United States)

    Höner zu Siederdissen, Christian; Hammer, Stefan; Abfalter, Ingrid; Hofacker, Ivo L; Flamm, Christoph; Stadler, Peter F

    2013-12-01

    RNA has become an integral building material in synthetic biology. Dominated by their secondary structures, which can be computed efficiently, RNA molecules are amenable not only to in vitro and in vivo selection, but also to rational, computation-based design. While the inverse folding problem of constructing an RNA sequence with a prescribed ground-state structure has received considerable attention for nearly two decades, there have been few efforts to design RNAs that can switch between distinct prescribed conformations. We introduce a user-friendly tool for designing RNA sequences that fold into multiple target structures. The underlying algorithm makes use of a combination of graph coloring and heuristic local optimization to find sequences whose energy landscapes are dominated by the prescribed conformations. A flexible interface allows the specification of a wide range of design goals. We demonstrate that bi- and tri-stable "switches" can be designed easily with moderate computational effort for the vast majority of compatible combinations of desired target structures. RNAdesign is freely available under the GPL-v3 license. Copyright © 2013 Wiley Periodicals, Inc.

  18. Cloud Computing for Mission Design and Operations

    Science.gov (United States)

    Arrieta, Juan; Attiyah, Amy; Beswick, Robert; Gerasimantos, Dimitrios

    2012-01-01

    The space mission design and operations community already recognizes the value of cloud computing and virtualization. However, natural and valid concerns, like security, privacy, up-time, and vendor lock-in, have prevented a more widespread and expedited adoption into official workflows. In the interest of alleviating these concerns, we propose a series of guidelines for internally deploying a resource-oriented hub of data and algorithms. These guidelines provide a roadmap for implementing an architecture inspired in the cloud computing model: associative, elastic, semantical, interconnected, and adaptive. The architecture can be summarized as exposing data and algorithms as resource-oriented Web services, coordinated via messaging, and running on virtual machines; it is simple, and based on widely adopted standards, protocols, and tools. The architecture may help reduce common sources of complexity intrinsic to data-driven, collaborative interactions and, most importantly, it may provide the means for teams and agencies to evaluate the cloud computing model in their specific context, with minimal infrastructure changes, and before committing to a specific cloud services provider.

  19. Materials design for electrocatalytic carbon capture

    Directory of Open Access Journals (Sweden)

    Xin Tan

    2016-05-01

    Full Text Available We discuss our philosophy for implementation of the Materials Genome Initiative through an integrated materials design strategy, exemplified here in the context of electrocatalytic capture and separation of CO2 gas. We identify for a group of 1:1 X–N graphene analogue materials that electro-responsive switchable CO2 binding behavior correlates with a change in the preferred binding site from N to the adjacent X atom as negative charge is introduced into the system. A reconsideration of conductive N-doped graphene yields the discovery that the N-dopant is able to induce electrocatalytic binding of multiple CO2 molecules at the adjacent carbon sites.

  20. 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.

  1. Computational Fluid Dynamics in Ventilation Design

    DEFF Research Database (Denmark)

    Nielsen, Peter V.

    2008-01-01

    This paper is based on the new REHVA Guidebook Computational Fluid  Dynamics in Ventilation Design (Nielsen et al. 2007) written by Peter V. Nielsen, Francis(Nielsen 2007) written by Peter V. Nielsen, Francis Allard, Hazim B. Awbi, Lars Davidson and Alois Schälin. The guidebook is made for people....... The guidebook introduces rules for good quality prediction work, and it is the purpose of the guidebook to improve the technical level of CFD work in ventilation.......This paper is based on the new REHVA Guidebook Computational Fluid  Dynamics in Ventilation Design (Nielsen et al. 2007) written by Peter V. Nielsen, Francis(Nielsen 2007) written by Peter V. Nielsen, Francis Allard, Hazim B. Awbi, Lars Davidson and Alois Schälin. The guidebook is made for people...... who need to use and discuss results based on CFD predictions, and it gives insight into the subject for those who are not used to work with CFD. The guidebook is also written for people working with CFD who have to be more aware of how this numerical method is applied in the area of ventilation...

  2. Material constraints on high-speed design

    Science.gov (United States)

    Bucur, Diana; Militaru, Nicolae

    2015-02-01

    Current high-speed circuit designs with signal rates up to 100Gbps and above are implying constraints for dielectric and conductive materials and their dependence of frequency, for component elements and for production processes. The purpose of this paper is to highlight through various simulation results the frequency dependence of specific parameters like insertion and return loss, eye diagrams, group delay that are part of signal integrity analyses type. In low-power environment designs become more complex as the operation frequency increases. The need for new materials with spatial uniformity for dielectric constant is a need for higher data rates circuits. The fiber weave effect (FWE) will be analyzed through the eye diagram results for various dielectric materials in a differential signaling scheme given the fact that the FWE is a phenomenon that affects randomly the performance of the circuit on balanced/differential transmission lines which are typically characterized through the above mentioned approaches. Crosstalk between traces is also of concern due to propagated signals that have tight rise and fall times or due to high density of the boards. Criteria should be considered to achieve maximum performance of the designed system requiring critical electronic properties.

  3. Comprehensive computational design of ordered peptide macrocycles

    Energy Technology Data Exchange (ETDEWEB)

    Hosseinzadeh, Parisa; Bhardwaj, Gaurav; Mulligan, Vikram K.; Shortridge, Matthew D.; Craven, Timothy W.; Pardo-Avila, Fatima; Rettie, Stephan A.; Kim, David E.; Silva, Daniel A.; Ibrahim, Yehia M.; Webb, Ian K.; Cort, John R.; Adkins, Joshua N.; Varani, Gabriele; Baker, David

    2017-12-14

    Mixed chirality peptide macrocycles such as cyclosporine are among the most potent therapeutics identified to-date, but there is currently no way to systematically search through the structural space spanned by such compounds for new drug candidates. Natural proteins do not provide a useful guide: peptide macrocycles lack regular secondary structures and hydrophobic cores and have different backbone torsional constraints. Hence the development of new peptide macrocycles has been approached by modifying natural products or using library selection methods; the former is limited by the small number of known structures, and the latter by the limited size and diversity accessible through library-based methods. To overcome these limitations, here we enumerate the stable structures that can be adopted by macrocyclic peptides composed of L and D amino acids. We identify more than 200 designs predicted to fold into single stable structures, many times more than the number of currently available unbound peptide macrocycle structures. We synthesize and characterize by NMR twelve 7-10 residue macrocycles, 9 of which have structures very close to the design models in solution. NMR structures of three 11-14 residue bicyclic designs are also very close to the computational models. Our results provide a nearly complete coverage of the rich space of structures possible for short peptide based macrocycles unparalleled for other molecular systems, and vastly increase the available starting scaffolds for both rational drug design and library selection methods.

  4. Ecological Interface Design for Computer Network Defense.

    Science.gov (United States)

    Bennett, Kevin B; Bryant, Adam; Sushereba, Christen

    2018-05-01

    A prototype ecological interface for computer network defense (CND) was developed. Concerns about CND run high. Although there is a vast literature on CND, there is some indication that this research is not being translated into operational contexts. Part of the reason may be that CND has historically been treated as a strictly technical problem, rather than as a socio-technical problem. The cognitive systems engineering (CSE)/ecological interface design (EID) framework was used in the analysis and design of the prototype interface. A brief overview of CSE/EID is provided. EID principles of design (i.e., direct perception, direct manipulation and visual momentum) are described and illustrated through concrete examples from the ecological interface. Key features of the ecological interface include (a) a wide variety of alternative visual displays, (b) controls that allow easy, dynamic reconfiguration of these displays, (c) visual highlighting of functionally related information across displays, (d) control mechanisms to selectively filter massive data sets, and (e) the capability for easy expansion. Cyber attacks from a well-known data set are illustrated through screen shots. CND support needs to be developed with a triadic focus (i.e., humans interacting with technology to accomplish work) if it is to be effective. Iterative design and formal evaluation is also required. The discipline of human factors has a long tradition of success on both counts; it is time that HF became fully involved in CND. Direct application in supporting cyber analysts.

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

    Science.gov (United States)

    Thompson, Alexander; Lawson, John W.

    2014-01-01

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

  6. 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)

  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. Cardioplegia heat exchanger design modelling using computational fluid dynamics.

    Science.gov (United States)

    van Driel, M R

    2000-11-01

    A new cardioplegia heat exchanger has been developed by Sorin Biomedica. A three-dimensional computer-aided design (CAD) model was optimized using computational fluid dynamics (CFD) modelling. CFD optimization techniques have commonly been applied to velocity flow field analysis, but CFD analysis was also used in this study to predict the heat exchange performance of the design before prototype fabrication. The iterative results of the optimization and the actual heat exchange performance of the final configuration are presented in this paper. Based on the behaviour of this model, both the water and blood fluid flow paths of the heat exchanger were optimized. The simulation predicted superior heat exchange performance using an optimal amount of energy exchange surface area, reducing the total contact surface area, the device priming volume and the material costs. Experimental results confirm the empirical results predicted by the CFD analysis.

  9. Computational materials science: The emergence of predictive ...

    Indian Academy of Sciences (India)

    M. Senthilkumar (Newgen Imaging) 1461 1996 Oct 15 13:05:22

    some significant recent developments related to alloy and steel design as well as the study of ... of aggregates of atoms (Kumar et al 2002a), etc. and even problems such as the development ... Cu–Au type fcc or CsCl-type bcc struc- tures.

  10. Design of Molecular Materials: Supramolecular Engineering

    Science.gov (United States)

    Simon, Jacques; Bassoul, Pierre

    2001-02-01

    This timely and fascinating book is destined to be recognised as THE book on supramolecular engineering protocols. It covers this sometimes difficult subject in an approachable form, gathering together information from many sources. Supramolecular chemistry, which links organic chemistry to materials science, is one of the fastest growth areas of chemistry research. This book creates a correlation between the structure of single molecules and the physical and chemical properties of the resulting materials. By making systematic changes to the component molecules, the resulting solid can be engineered for optimum performance. There is a clearly written development from synthesis of designer molecules to properties of solids and further on to devices and complex materials systems, providing guidelines for mastering the organisation of these systems. Topics covered include: Systemic chemistry Molecular assemblies Notions of symmetry Supramolecular engineering Principe de Curie Organisation in molecular media Molecular semiconductors Industrial applications of molecular materials This superb book will be invaluable to researchers in the field of supramolecular materials and also to students and teachers of the subject.

  11. Computer Based Training Authors' and Designers' training

    Directory of Open Access Journals (Sweden)

    Frédéric GODET

    2016-03-01

    Full Text Available This communication, through couple of studies driven since 10 years, tries to show how important is the training of authors in Computer Based Training (CBT. We submit here an approach to prepare designers mastering Interactive Multimedia modules in this domain. Which institutions are really dedicating their efforts in training authors and designers in this area of CBTs? Television devices and broadcast organisations offered since year 60s' a first support for Distance Learning. New media, New Information and Communication Technologies (NICT allowed several public and private organisations to start Distance Learning projects. As usual some of them met their training objectives, other of them failed. Did their really failed? Currently, nobody has the right answer. Today, we do not have enough efficient tools allowing us to evaluate trainees' acquisition in a short term view. Training evaluation needs more than 10 to 20 years of elapsed time to bring reliable measures. Nevertheless, given the high investments already done in this area, we cannot wait until the final results of the pedagogical evaluation. A lot of analyses showed relevant issues which can be used as directions for CBTs authors and designers training. Warning - Our studies and the derived conclusions are mainly based on projects driven in the field. We additionally bring our several years experience in the training of movie film authors in the design of interactive multimedia products. Some of our examples are extracting from vocational training projects where we were involved in all development phases from the analysis of needs to the evaluation of the acquisition within the trainee's / employee job's. Obviously, we cannot bring and exhaustive approach in this domain where a lot of parameters are involved as frame for the CBT interactive multimedia modules authors' and designers' training.

  12. 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,...

  13. 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

  14. Computational Tools for RF Structure Design

    CERN Document Server

    Jensen, E

    2004-01-01

    The Finite Differences Method and the Finite Element Method are the two principally employed numerical methods in modern RF field simulation programs. The basic ideas behind these methods are explained, with regard to available simulation programs. We then go through a list of characteristic parameters of RF structures, explaining how they can be calculated using these tools. With the help of these parameters, we introduce the frequency-domain and the time-domain calculations, leading to impedances and wake-fields, respectively. Subsequently, we present some readily available computer programs, which are in use for RF structure design, stressing their distinctive features and limitations. One final example benchmarks the precision of different codes for calculating the eigenfrequency and Q of a simple cavity resonator.

  15. Optical design teaching by computing graphic methods

    Science.gov (United States)

    Vazquez-Molini, D.; Muñoz-Luna, J.; Fernandez-Balbuena, A. A.; Garcia-Botella, A.; Belloni, P.; Alda, J.

    2012-10-01

    One of the key challenges in the teaching of Optics is that students need to know not only the math of the optical design, but also, and more important, to grasp and understand the optics in a three-dimensional space. Having a clear image of the problem to solve is the first step in order to begin to solve that problem. Therefore to achieve that the students not only must know the equation of refraction law but they have also to understand how the main parameters of this law are interacting among them. This should be a major goal in the teaching course. Optical graphic methods are a valuable tool in this way since they have the advantage of visual information and the accuracy of a computer calculation.

  16. Computer-aided design for metabolic engineering.

    Science.gov (United States)

    Fernández-Castané, Alfred; Fehér, Tamás; Carbonell, Pablo; Pauthenier, Cyrille; Faulon, Jean-Loup

    2014-12-20

    The development and application of biotechnology-based strategies has had a great socio-economical impact and is likely to play a crucial role in the foundation of more sustainable and efficient industrial processes. Within biotechnology, metabolic engineering aims at the directed improvement of cellular properties, often with the goal of synthesizing a target chemical compound. The use of computer-aided design (CAD) tools, along with the continuously emerging advanced genetic engineering techniques have allowed metabolic engineering to broaden and streamline the process of heterologous compound-production. In this work, we review the CAD tools available for metabolic engineering with an emphasis, on retrosynthesis methodologies. Recent advances in genetic engineering strategies for pathway implementation and optimization are also reviewed as well as a range of bionalytical tools to validate in silico predictions. A case study applying retrosynthesis is presented as an experimental verification of the output from Retropath, the first complete automated computational pipeline applicable to metabolic engineering. Applying this CAD pipeline, together with genetic reassembly and optimization of culture conditions led to improved production of the plant flavonoid pinocembrin. Coupling CAD tools with advanced genetic engineering strategies and bioprocess optimization is crucial for enhanced product yields and will be of great value for the development of non-natural products through sustainable biotechnological processes. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Bremsstrahlung convertors: materials design and development

    International Nuclear Information System (INIS)

    Allred, R.E.

    1976-03-01

    An improved bremsstrahlung convertor for use at high electron beam energies was developed. The convertor consists of three main components: (1) conversion foil; (2) electron scavenger; and (3) impulse shield. Structural failures of the impulse shield were experimentally determined to be caused by shock wave interactions. Convertor materials and design modifications were aimed at attenuation of the magnitude of the shock and maximization of energy absorption by the convertor materials. Techniques proven successful included the introduction of porosity into electron scavenger and impulse shield materials, the use of a standoff between the conversion foil and the electron scavenger, the insertion of a gap between the scavenger and impulse shield, and the use of advanced composite materials for the impulse shield. These modifications have increased the convertor operating range from 4 cal/gm Au to over 8 cal/gm Au. Kevlar 49 reinforced-resin composites have proven to have the best combination of strength, stiffness, toughness, and x-ray transport properties for use as bremmstrahlung convertor impulse shields

  18. Analytical Design Package (ADP2): A computer aided engineering tool for aircraft transparency design

    Science.gov (United States)

    Wuerer, J. E.; Gran, M.; Held, T. W.

    1994-01-01

    The Analytical Design Package (ADP2) is being developed as a part of the Air Force Frameless Transparency Program (FTP). ADP2 is an integrated design tool consisting of existing analysis codes and Computer Aided Engineering (CAE) software. The objective of the ADP2 is to develop and confirm an integrated design methodology for frameless transparencies, related aircraft interfaces, and their corresponding tooling. The application of this methodology will generate high confidence for achieving a qualified part prior to mold fabrication. ADP2 is a customized integration of analysis codes, CAE software, and material databases. The primary CAE integration tool for the ADP2 is P3/PATRAN, a commercial-off-the-shelf (COTS) software tool. The open architecture of P3/PATRAN allows customized installations with different applications modules for specific site requirements. Integration of material databases allows the engineer to select a material, and those material properties are automatically called into the relevant analysis code. The ADP2 materials database will be composed of four independent schemas: CAE Design, Processing, Testing, and Logistics Support. The design of ADP2 places major emphasis on the seamless integration of CAE and analysis modules with a single intuitive graphical interface. This tool is being designed to serve and be used by an entire project team, i.e., analysts, designers, materials experts, and managers. The final version of the software will be delivered to the Air Force in Jan. 1994. The Analytical Design Package (ADP2) will then be ready for transfer to industry. The package will be capable of a wide range of design and manufacturing applications.

  19. Computational Design and Experimental Validation of New Thermal Barrier Systems

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Shengmin; Yang, Shizhong; Khosravi, Ebrahim

    2011-12-31

    This project (10/01/2010-9/30/2013), “Computational Design and Experimental Validation of New Thermal Barrier Systems”, originates from Louisiana State University (LSU) Mechanical Engineering Department and Southern University (SU) Department of Computer Science. This proposal will directly support the technical goals specified in DE-FOA-0000248, Topic Area 3: Turbine Materials, by addressing key technologies needed to enable the development of advanced turbines and turbine-based systems that will operate safely and efficiently using coal-derived synthesis gases. We will develop novel molecular dynamics method to improve the efficiency of simulation on novel TBC materials; we will perform high performance computing (HPC) on complex TBC structures to screen the most promising TBC compositions; we will perform material characterizations and oxidation/corrosion tests; and we will demonstrate our new Thermal barrier coating (TBC) systems experimentally under Integrated gasification combined cycle (IGCC) environments. The durability of the coating will be examined using the proposed High Temperature/High Pressure Durability Test Rig under real syngas product compositions.

  20. 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.

  1. Industrial aspects: materials, designing and quality

    International Nuclear Information System (INIS)

    Blanc, M.

    2008-01-01

    First, this article reviews the evolution of the PWR fuel assembly manufactured by Westinghouse over 30 years and secondly gives a glimpse of the industrial organization of Westinghouse. The progressive changes in the design of the fuel assembly can be illustrated by the materials used: first Inconel then zircaloy-4, zirlo and now the optimized zirlo. The Westinghouse nuclear fuel destined to French pressurized reactors is fabricated in either Sweden (Vasteras) or in Spain (Juzbado). Fuel tubes are produced in Usa (Blairsville) or in Sweden (Sandvik). In the last 5 years Westinghouse has launched important programs for improving industrial processes and final products to reach customer satisfaction. (A.C.)

  2. Electronic circuit design with HEP computational tools

    International Nuclear Information System (INIS)

    Vaz, Mario

    1996-01-01

    CPSPICE is an electronic circuit statistical simulation program developed to run in a parallel environment under UNIX operating system and TCP/IP communications protocol, using CPS - Cooperative Processes Software , SPICE program and CERNLIB software package. It is part of a set of tools being develop, intended to help electronic engineers to design, model and simulate complex systems and circuits for High Energy Physics detectors, based on statistical methods, using the same software and methodology used by HEP physicists for data analysis. CPSPICE simulates electronic circuits by Monte Carlo method, through several different processes running simultaneously SPICE in UNIX parallel computers or workstation farms. Data transfer between CPS processes for a modified version of SPICE2G6 is done by RAM memory, but can also be done through hard disk files if no source files are available for the simulator, and for bigger simulation outputs files. Simulation results are written in a HBOOK file as a NTUPLE, to be examined by HBOOK in batch model or graphics, and analyzed by statistical procedures available. The HBOOK file be stored on hard disk for small amount of data, or into Exabyte tape file for large amount of data. HEP tools also helps circuit or component modeling, like MINUT program from CERNLIB, that implements Nelder and Mead Simplex and Gradient with or without derivatives algorithms, and can be used for design optimization.This paper presents CPSPICE program implementation. The scheme adopted is suitable to make parallel other electronic circuit simulators. (author)

  3. Torsional strength of computer-aided design/computer-aided manufacturing-fabricated esthetic orthodontic brackets.

    Science.gov (United States)

    Alrejaye, Najla; Pober, Richard; Giordano Ii, Russell

    2017-01-01

    To fabricate orthodontic brackets from esthetic materials and determine their fracture resistance during archwire torsion. Computer-aided design/computer-aided manufacturing technology (Cerec inLab, Sirona) was used to mill brackets with a 0.018 × 0.025-inch slot. Materials used were Paradigm MZ100 and Lava Ultimate resin composite (3M ESPE), Mark II feldspathic porcelain (Vita Zahnfabrik), and In-Ceram YZ zirconia (Vita Zahnfabrik). Ten brackets of each material were subjected to torque by a 0.018 × 0.025-inch stainless steel archwire (G&H) using a specially designed apparatus. The average moments and degrees of torsion necessary to fracture the brackets were determined and compared with those of commercially available alumina brackets, Mystique MB (Dentsply GAC). The YZ brackets were statistically significantly stronger than any other tested material in their resistance to torsion (P brackets. Resistance of MZ100 and Lava Ultimate composite resin brackets to archwire torsion was comparable to commercially available alumina ceramic brackets.

  4. Efficient Use of Preisach Hysteresis Model in Computer Aided Design

    Directory of Open Access Journals (Sweden)

    IONITA, V.

    2013-05-01

    Full Text Available The paper presents a practical detailed analysis regarding the use of the classical Preisach hysteresis model, covering all the steps, from measuring the necessary data for the model identification to the implementation in a software code for Computer Aided Design (CAD in Electrical Engineering. An efficient numerical method is proposed and the hysteresis modeling accuracy is tested on magnetic recording materials. The procedure includes the correction of the experimental data, which are used for the hysteresis model identification, taking into account the demagnetizing effect for the sample that is measured in an open-circuit device (a vibrating sample magnetometer.

  5. 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.

  6. 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.

  7. Development of a computer design system for HVAC

    International Nuclear Information System (INIS)

    Miyazaki, Y.; Yotsuya, M.; Hasegawa, M.

    1993-01-01

    The development of a computer design system for HVAC (Heating, Ventilating and Air Conditioning) system is presented in this paper. It supports the air conditioning design for a nuclear power plant and a reprocessing plant. This system integrates various computer design systems which were developed separately for the various design phases of HVAC. the purposes include centralizing the HVAC data, optimizing design, and reducing the designing time. The centralized HVAC data are managed by a DBMS (Data Base Management System). The DBMS separates the computer design system into a calculation module and the data. The design system can thus be expanded easily in the future. 2 figs

  8. Shield design for the Fusion Materials Irradiation Test facility

    International Nuclear Information System (INIS)

    Carter, L.L.; Mann, F.M.; Morford, R.J.; Wilcox, A.D.; Johnson, D.L.; Huang, S.T.

    1983-03-01

    The shield design for the Fusion Materials Irradiation Test facility is based upon one-, two- and three-dimensional transport calculations with experimental measurements utilized to refine the nuclear data including the neutron cross sections from 20 to 50 MeV and the gamma ray and neutron source terms. The high energy neutrons and deuterons produce activation products from the numerous reactions that are kinematically allowed. The analyses for both beam-on and beam-off (from the activation products) conditions have required extensive nuclear data libraries and the utilization of Monte Carlo, discrete ordinates, point kernel and auxiliary computer codes

  9. Intelligent Support for a Computer Aided Design Optimisation Cycle

    OpenAIRE

    B. Dolšak; M. Novak; J. Kaljun

    2006-01-01

    It is becoming more and more evident that  adding intelligence  to existing computer aids, such as computer aided design systems, can lead to significant improvements in the effective and reliable performance of various engineering tasks, including design optimisation. This paper presents three different intelligent modules to be applied within a computer aided design optimisation cycle to enable more intelligent and less experience-dependent design performance. 

  10. Instrument design optimization with computational methods

    Energy Technology Data Exchange (ETDEWEB)

    Moore, Michael H. [Old Dominion Univ., Norfolk, VA (United States)

    2017-08-01

    Using Finite Element Analysis to approximate the solution of differential equations, two different instruments in experimental Hall C at the Thomas Jefferson National Accelerator Facility are analyzed. The time dependence of density uctuations from the liquid hydrogen (LH2) target used in the Qweak experiment (2011-2012) are studied with Computational Fluid Dynamics (CFD) and the simulation results compared to data from the experiment. The 2.5 kW liquid hydrogen target was the highest power LH2 target in the world and the first to be designed with CFD at Jefferson Lab. The first complete magnetic field simulation of the Super High Momentum Spectrometer (SHMS) is presented with a focus on primary electron beam deflection downstream of the target. The SHMS consists of a superconducting horizontal bending magnet (HB) and three superconducting quadrupole magnets. The HB allows particles scattered at an angle of 5:5 deg to the beam line to be steered into the quadrupole magnets which make up the optics of the spectrometer. Without mitigation, remnant fields from the SHMS may steer the unscattered beam outside of the acceptable envelope on the beam dump and limit beam operations at small scattering angles. A solution is proposed using optimal placement of a minimal amount of shielding iron around the beam line.

  11. Materials by Design - Computational Alloy Design for Corrosion

    Science.gov (United States)

    2011-02-01

    Es = + 0.33 eV Cs Rb K · ~·Ba Sr ::~ \\ H ~ YCd ./ G B FS A~ Zn " Be• ’f_ Ni?.Au SeA. ’\\ . At-v Rh Ru • Zr Ja Mo Tc _,. • • • pt • lr Nb w...Windows Air Conditioning Autoflight Electrical Power Navigation Engine Exhaust Stabilizer Doors Fuel system Nacelles/Pylons Power Plant Equip...p. 14 ASETSDefense 2011: Sustainable Surface Engineering for Aerospace and Defense Workshop Quantum Mechanics Insights into SCC resistance 3.5 -E 0

  12. A CAD (Classroom Assessment Design) of a Computer Programming Course

    Science.gov (United States)

    Hawi, Nazir S.

    2012-01-01

    This paper presents a CAD (classroom assessment design) of an entry-level undergraduate computer programming course "Computer Programming I". CAD has been the product of a long experience in teaching computer programming courses including teaching "Computer Programming I" 22 times. Each semester, CAD is evaluated and modified…

  13. Mechanical and materials engineering of modern structure and component design

    CERN Document Server

    Altenbach, Holm

    2015-01-01

    This book presents the latest findings on mechanical and materials engineering as applied to the design of modern engineering materials and components. The contributions cover the classical fields of mechanical, civil and materials engineering, as well as bioengineering and advanced materials processing and optimization. The materials and structures discussed can be categorized into modern steels, aluminium and titanium alloys, polymers/composite materials, biological and natural materials, material hybrids and modern nano-based materials. Analytical modelling, numerical simulation, state-of-the-art design tools and advanced experimental techniques are applied to characterize the materials’ performance and to design and optimize structures in different fields of engineering applications.

  14. Teaching Computer System-DMT DESIGN(SA.1

    Directory of Open Access Journals (Sweden)

    A. O. Shteynberg

    2012-01-01

    Full Text Available Тhe paper introduces the training computer system of sub- agential type based on a didactic multidimensional technology. The methodology bases incorporate the systematic activity approach, some elements of artificial intelligence theory, and the instrumental didactic theory and technology developed by Scientific Experimental Laboratory at Bashkirsky State Pedagogical University. The above training system – Didactic Multidimensional Technology Design of Sub-Agential Type (DMT_DESIGN (SA.1 – has been developed for raising teachers’ technological competence and creativity regarding both the general and vocational education. Its training structure is specified by invariant socio-cultural and anthropological bases; logically semantic modeling of course materials is provided. The research data can be used by people, engaged in developing educational information technologies; practicing teachers; and post-graduates conducting research and implementing the findings. 

  15. DEFACTO: A Design Environment for Adaptive Computing Technology

    National Research Council Canada - National Science Library

    Hall, Mary

    2003-01-01

    This report describes the activities of the DEFACTO project, a Design Environment for Adaptive Computing Technology funded under the DARPA Adaptive Computing Systems and Just-In-Time-Hardware programs...

  16. The Use of Computer Graphics in the Design Process.

    Science.gov (United States)

    Palazzi, Maria

    This master's thesis examines applications of computer technology to the field of industrial design and ways in which technology can transform the traditional process. Following a statement of the problem, the history and applications of the fields of computer graphics and industrial design are reviewed. The traditional industrial design process…

  17. 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

  18. 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.

  19. Calculations to support design of a nuclear material tracking system

    International Nuclear Information System (INIS)

    Carter, L.L.; Eggers, R.F.; Williams, T.L.

    1991-01-01

    The Westinghouse Hanford Company is developing a nuclear material tracking system called NTRAK for the US Department of Energy at the Savannah River site. The NTRAK system is designed to determine the position and approximate magnitude of packages of special nuclear material (SNM) moving through a nuclear plant. The NTRAK accomplishes this by using special assemblies of detectors called modules to measure the gamma radiation emitted by the SNM. After measurement, raw data are processed to determine the direction to and position of the gamma-ray source. In order for the NTRAK method of SNM tracking to work, the gamma-ray signal at the detector modules must be at least four standard deviations above background. This paper addresses the use of the Monte Carlo computer code for neutron and photon transport (MCNP) to (a) predict the radiation emitted by plutonium oxide sources and (b) predict the counting rate of NaI detectors measuring those sources

  20. Design and Implementation of Company Tailored Automated Material Handling

    DEFF Research Database (Denmark)

    Langer, Gilad; Bilberg, Arne

    1996-01-01

    This article focuses on the problems of analysing automation of material handling systems in order to develop an efficient automated solution that is specifically tailored to the company. The research has resulted in development of new methods for evaluating factory automation from design...... to implementation. The goals of the research were to analyse and evaluate automation in order to obtain an advantageous combination of human and automated resources. The idea is to asses different solutions in a virtual environment, where experiments and analyses can be performed so that the company can justify...... for their application with computer aided information processing tools. The framework is named the "Automated Material Handling (AMH) Preference GuideLine". The research has been carried out in close co-operation with Danish and European industry, where implementations of automation can be referred to. It is our...

  1. Computer Based Porosity Design by Multi Phase Topology Optimization

    Science.gov (United States)

    Burblies, Andreas; Busse, Matthias

    2008-02-01

    A numerical simulation technique called Multi Phase Topology Optimization (MPTO) based on finite element method has been developed and refined by Fraunhofer IFAM during the last five years. MPTO is able to determine the optimum distribution of two or more different materials in components under thermal and mechanical loads. The objective of optimization is to minimize the component's elastic energy. Conventional topology optimization methods which simulate adaptive bone mineralization have got the disadvantage that there is a continuous change of mass by growth processes. MPTO keeps all initial material concentrations and uses methods adapted from molecular dynamics to find energy minimum. Applying MPTO to mechanically loaded components with a high number of different material densities, the optimization results show graded and sometimes anisotropic porosity distributions which are very similar to natural bone structures. Now it is possible to design the macro- and microstructure of a mechanical component in one step. Computer based porosity design structures can be manufactured by new Rapid Prototyping technologies. Fraunhofer IFAM has applied successfully 3D-Printing and Selective Laser Sintering methods in order to produce very stiff light weight components with graded porosities calculated by MPTO.

  2. HF filter design and computer simulation

    CERN Document Server

    Rhea, Randall W

    1994-01-01

    A book for engineers who design and build filters of all types, including lumped element, coaxial, helical, dielectric resonator, stripline and microstrip types. A thorough review of classic and modern filter design techniques, containing extensive practical design information of passband characteristics, topologies and transformations, component effects and matching. An excellent text for the design and construction of microstrip filters.

  3. The Plastic Bakery : A Case of Material Driven Design

    NARCIS (Netherlands)

    Majumdar, P.; Karana, E.; Sonneveld, M.H.; Karana, E.; Giaccardi, E.; Nimkulrat, N.; Niedderer, K.; Camere, S.

    2017-01-01

    A growing number of scholars argue that understanding how people experience materials in products, i.e. Materials Experience, is essential in
    designing meaningful material applications. Material Driven Design (MDD) has been developed as the method to understand these experiential traits
    of

  4. Computational Strategies for the Architectural Design of Bending Active Structures

    DEFF Research Database (Denmark)

    Tamke, Martin; Nicholas, Paul

    2013-01-01

    Active bending introduces a new level of integration into the design of architectural structures, and opens up new complexities for the architectural design process. In particular, the introduction of material variation reconfigures the design space. Through the precise specification...

  5. High-performance green semiconductor devices: materials, designs, and fabrication

    Science.gov (United States)

    Jung, Yei Hwan; Zhang, Huilong; Gong, Shaoqin; Ma, Zhenqiang

    2017-06-01

    From large industrial computers to non-portable home appliances and finally to light-weight portable gadgets, the rapid evolution of electronics has facilitated our daily pursuits and increased our life comforts. However, these rapid advances have led to a significant decrease in the lifetime of consumer electronics. The serious environmental threat that comes from electronic waste not only involves materials like plastics and heavy metals, but also includes toxic materials like mercury, cadmium, arsenic, and lead, which can leak into the ground and contaminate the water we drink, the food we eat, and the animals that live around us. Furthermore, most electronics are comprised of non-renewable, non-biodegradable, and potentially toxic materials. Difficulties in recycling the increasing amount of electronic waste could eventually lead to permanent environmental pollution. As such, discarded electronics that can naturally degrade over time would reduce recycling challenges and minimize their threat to the environment. This review provides a snapshot of the current developments and challenges of green electronics at the semiconductor device level. It looks at the developments that have been made in an effort to help reduce the accumulation of electronic waste by utilizing unconventional, biodegradable materials as components. While many semiconductors are classified as non-biodegradable, a few biodegradable semiconducting materials exist and are used as electrical components. This review begins with a discussion of biodegradable materials for electronics, followed by designs and processes for the manufacturing of green electronics using different techniques and designs. In the later sections of the review, various examples of biodegradable electrical components, such as sensors, circuits, and batteries, that together can form a functional electronic device, are discussed and new applications using green electronics are reviewed.

  6. 46 CFR 58.05-1 - Material, design and construction.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 2 2010-10-01 2010-10-01 false Material, design and construction. 58.05-1 Section 58.05... AUXILIARY MACHINERY AND RELATED SYSTEMS Main Propulsion Machinery § 58.05-1 Material, design and construction. (a) The material, design, construction, workmanship, and arrangement of main propulsion machinery...

  7. Brain architecture: a design for natural computation.

    Science.gov (United States)

    Kaiser, Marcus

    2007-12-15

    Fifty years ago, John von Neumann compared the architecture of the brain with that of the computers he invented and which are still in use today. In those days, the organization of computers was based on concepts of brain organization. Here, we give an update on current results on the global organization of neural systems. For neural systems, we outline how the spatial and topological architecture of neuronal and cortical networks facilitates robustness against failures, fast processing and balanced network activation. Finally, we discuss mechanisms of self-organization for such architectures. After all, the organization of the brain might again inspire computer architecture.

  8. Design of a modular digital computer system, DRL 4. [for meeting future requirements of spaceborne computers

    Science.gov (United States)

    1972-01-01

    The design is reported of an advanced modular computer system designated the Automatically Reconfigurable Modular Multiprocessor System, which anticipates requirements for higher computing capacity and reliability for future spaceborne computers. Subjects discussed include: an overview of the architecture, mission analysis, synchronous and nonsynchronous scheduling control, reliability, and data transmission.

  9. 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.

  10. 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)

  11. New or improved computational methods and advanced reactor design

    International Nuclear Information System (INIS)

    Nakagawa, Masayuki; Takeda, Toshikazu; Ushio, Tadashi

    1997-01-01

    Nuclear computational method has been studied continuously up to date, as a fundamental technology supporting the nuclear development. At present, research on computational method according to new theory and the calculating method thought to be difficult to practise are also continued actively to find new development due to splendid improvement of features of computer. In Japan, many light water type reactors are now in operations, new computational methods are induced for nuclear design, and a lot of efforts are concentrated for intending to more improvement of economics and safety. In this paper, some new research results on the nuclear computational methods and their application to nuclear design of the reactor were described for introducing recent trend of the nuclear design of the reactor. 1) Advancement of the computational method, 2) Reactor core design and management of the light water reactor, and 3) Nuclear design of the fast reactor. (G.K.)

  12. Brain architecture: A design for natural computation

    OpenAIRE

    Kaiser, Marcus

    2008-01-01

    Fifty years ago, John von Neumann compared the architecture of the brain with that of computers that he invented and which is still in use today. In those days, the organisation of computers was based on concepts of brain organisation. Here, we give an update on current results on the global organisation of neural systems. For neural systems, we outline how the spatial and topological architecture of neuronal and cortical networks facilitates robustness against failures, fast processing, and ...

  13. Computational design of mould sprue for injection moulding thermoplastics

    Directory of Open Access Journals (Sweden)

    Muralidhar Lakkanna

    2016-01-01

    Full Text Available To injection mould polymers, designing mould is a key task involving several critical decisions with direct implications to yield quality, productivity and frugality. One prominent decision among them is specifying sprue-bush conduit expansion as it significantly influences overall injection moulding; abstruseness anguish in its design criteria deceives direct determination. Intuitively designers decide it wisely and then exasperate by optimising or manipulating processing parameters. To overwhelm that anomaly this research aims at proposing an ideal design criteria holistically for all polymeric materials also tend as a functional assessment metric towards perfection i.e., criteria to specify sprue conduit size before mould development. Accordingly, a priori analytical criterion was deduced quantitatively as expansion ratio from ubiquitous empirical relationships specifically a.k.a an exclusive expansion angle imperatively configured for injectant properties. Its computational intelligence advantage was leveraged to augment functionality of perfectly injecting into an impression gap, while synchronising both injector capacity and desired moulding features. For comprehensiveness, it was continuously sensitised over infinite scale as an explicit factor dependent on in-situ spatio-temporal injectant state perplexity with discrete slope and altitude for each polymeric character. In which congregant ranges of apparent viscosity and shear thinning index were conceived to characteristically assort most thermoplastics. Thereon results accorded aggressive conduit expansion widening for viscous incrust, while a very aggressive narrowing for shear thinning encrust; among them apparent viscosity had relative dominance. This important rationale would certainly form a priori design basis as well diagnose filling issues causing several defects. Like this the proposed generic design criteria, being simple would immensely benefit mould designers besides serve

  14. Computer-assisted design/computer-assisted manufacturing systems: A revolution in restorative dentistry

    Directory of Open Access Journals (Sweden)

    Arbaz Sajjad

    2016-01-01

    Full Text Available For the better part of the past 20 years, dentistry has seen the development of many new all-ceramic materials and restorative techniques fueled by the desire to capture the ever elusive esthetic perfection. This has resulted in the fusion of the latest in material science and the pen ultimate in computer-assisted design/computer-assisted manufacturing (CAD/CAM technology. This case report describes the procedure for restoring the esthetic appearance of both the left and right maxillary peg-shaped lateral incisors with a metal-free sintered finely structured feldspar ceramic material using the latest laboratory CAD/CAM system. The use of CAD/CAM technology makes it possible to produce restorations faster with precision- fit and good esthetics overcoming the errors associated with traditional ceramo-metal technology. The incorporation of this treatment modality would mean that the dentist working procedures will have to be adapted in the methods of CAD/CAM technology.

  15. Computers as Components Principles of Embedded Computing System Design

    CERN Document Server

    Wolf, Wayne

    2008-01-01

    This book was the first to bring essential knowledge on embedded systems technology and techniques under a single cover. This second edition has been updated to the state-of-the-art by reworking and expanding performance analysis with more examples and exercises, and coverage of electronic systems now focuses on the latest applications. Researchers, students, and savvy professionals schooled in hardware or software design, will value Wayne Wolf's integrated engineering design approach.The second edition gives a more comprehensive view of multiprocessors including VLIW and superscalar archite

  16. Mass of materials: the impact of designers on construction ergonomics.

    Science.gov (United States)

    Smallwood, John

    2012-01-01

    Many construction injuries are musculoskeletal related in the form of sprains and strains arising from the handling of materials, which are specified by designers. The paper presents the results of a study conducted among delegates attending two 'designing for H&S' (DfH&S) seminars using a questionnaire. The salient findings include: the level of knowledge relative to the mass and density of materials is limited; designers generally do not consider the mass and density of materials when designing structures and elements and specifying materials; to a degree designers appreciate that the mass and density of materials impact on construction ergonomics; designers rate their knowledge of the mass and density of materials as limited, and designers appreciate the potential of the consideration of the mass and density of materials to contribute to an improvement in construction ergonomics. Conclusions include: designers lack the requisite knowledge relative to the mass and density of materials; designers are thus precluded from conducting optimum design hazard identification and risk assessments, and tertiary built environment designer education does not enlighten designers relative to construction ergonomics. Recommendations include: tertiary built environment designer education should construction ergonomics; professional associations should raise the level of awareness relative to construction ergonomics, and design practices should include a category 'mass and density of materials' in their practice libraries.

  17. Designing Next Generation Rechargeable Battery Materials from First-Principles

    Science.gov (United States)

    Kim, Soo

    Technology has advanced rapidly, especially in the twenty-first century, influencing our day-to-day life on unprecedented levels. Most such advances in technology are closely linked to, and often driven by, the discovery and design of new materials. It follows that the discovery of new materials can not only improve existing technologies but also lead to revolutionary ones. In particular, there is a growing need to develop new energy materials that are reliable, clean, and affordable for emerging applications such as portable electronics, electric vehicles, and power grid systems. Many researchers have been actively searching for more cost-effective and clean electrode materials for lithium-ion batteries (LIBs) during the last few decades. These new electrode materials are also required to achieve higher electrochemical performance, compared to the already commercialized electrodes. Unfortunately, discovering the next sustainable energy materials based on a traditional 'trial-and-error' method via experiment would be extremely slow and difficult. In the last two decades, computational compilations of battery material properties such as voltage, diffusivity, and phase stability against irreversible phase transformation(s) using first-principles density functional theory (DFT) calculations have helped researchers to understand the underlying mechanism in many oxide materials that are used as LIB electrodes. Here, we have examined the (001) and (111) surface structures of LiMn2O4 (LMO) spinel cathode materials using DFT calculations within the generalized gradient approximation (GGA) + U approach. Our theoretical results explain the observation of a wide spectrum of polyhedral shapes between (001)- and (111)-dominated LMO particles in experiments, which can be described by the narrow range of surface energies and their sensitivity to synthesis conditions. We further show that single-layer graphene coatings help suppress manganese dissolution in LMO by chemically

  18. Designing Ubiquitous Computing to Enhance Children's Learning in Museums

    Science.gov (United States)

    Hall, T.; Bannon, L.

    2006-01-01

    In recent years, novel paradigms of computing have emerged, which enable computational power to be embedded in artefacts and in environments in novel ways. These developments may create new possibilities for using computing to enhance learning. This paper presents the results of a design process that set out to explore interactive techniques,…

  19. Computer-Assisted Inverse Design of Inorganic Electrides

    Directory of Open Access Journals (Sweden)

    Yunwei Zhang

    2017-02-01

    Full Text Available Electrides are intrinsic electron-rich materials enabling applications as excellent electron emitters, superior catalysts, and strong reducing agents. There are a number of organic electrides; however, their instability at room temperature and sensitivity to moisture are bottlenecks for their practical uses. Known inorganic electrides are rare, but they appear to have greater thermal stability at ambient conditions and are thus better characterized for application. Here, we develop a computer-assisted inverse-design method for searching for a large variety of inorganic electrides unbiased by any known electride structures. It uses the intrinsic property of interstitial electron localization of electrides as the global variable function for swarm intelligence structure searches. We construct two rules of thumb on the design of inorganic electrides pointing to electron-rich ionic systems and low electronegativity of the cationic elements involved. By screening 99 such binary compounds through large-scale computer simulations, we identify 24 stable and 65 metastable new inorganic electrides that show distinct three-, two-, and zero-dimensional conductive properties, among which 18 are existing compounds that have not been pointed to as electrides. Our work reveals the rich abundance of inorganic electrides by providing 33 hitherto unexpected structure prototypes of electrides, of which 19 are not in the known structure databases.

  20. A solar powered wireless computer mouse. Industrial design concepts

    Energy Technology Data Exchange (ETDEWEB)

    Reich, N.H.; Van Sark, W.G.J.H.M.; Alsema, E.A.; Turkenburg, W.C. [Department of Science, Technology and Society, Copernicus Institute, Utrecht University, Heidelberglaan 2, 3584 CS Utrecht (Netherlands); Veefkind, M.; Silvester, S. [Industrial Design Engineering, Delft University of Technology, Landbergstraat 15, 2628 CE Delft (Netherlands)

    2009-02-15

    A solar powered wireless computer mouse (SPM) was chosen to serve as a case study for the evaluation and optimization of industrial design processes of photovoltaic (PV) powered consumer systems. As the design process requires expert knowledge in various technical fields, we assessed and compared the following: appropriate selection of integrated PV type, battery capacity and type, possible electronic circuitries for PV-battery coupling, and material properties concerning mechanical incorporation of PV into the encasing. Besides technical requirements, ergonomic aspects and design aesthetics with respect to good 'sun-harvesting' properties influenced the design process. This is particularly important as simulations show users can positively influence energy balances by 'sun-bathing' the PV mouse. A total of 15 SPM prototypes were manufactured and tested by actual users. Although user satisfaction proved the SPM concept to be feasible, future research still needs to address user acceptance related to product dimensions and user willingness to pro-actively 'sun-bath' PV powered products in greater detail. (author)

  1. Advanced power plant materials, design and technology

    Energy Technology Data Exchange (ETDEWEB)

    Roddy, D. (ed.) [Newcastle University (United Kingdom). Sir Joseph Swan Institute

    2010-07-01

    The book is a comprehensive reference on the state of the art of gas-fired and coal-fired power plants, their major components and performance improvement options. Selected chapters are: Integrated gasification combined cycle (IGCC) power plant design and technology by Y. Zhu, and H. C. Frey; Improving thermal cycle efficiency in advanced power plants: water and steam chemistry and materials performance by B. Dooley; Advanced carbon dioxide (CO{sub 2}) gas separation membrane development for power plants by A. Basile, F. Gallucci, and P. Morrone; Advanced flue gas cleaning systems for sulphur oxides (SOx), nitrogen oxides (NOx) and mercury emissions control in power plants by S. Miller and B.G. Miller; Advanced flue gas dedusting systems and filters for ash and particulate emissions control in power plants by B.G. Miller; Advanced sensors for combustion monitoring in power plants: towards smart high-density sensor networks by M. Yu and A.K. Gupta; Advanced monitoring and process control technology for coal-fired power plants by Y. Yan; Low-rank coal properties, upgrading and utilisation for improving the fuel flexibility of advanced power plants by T. Dlouhy; Development and integration of underground coal gasification (UCG) for improving the environmental impact of advanced power plants by M. Green; Development and application of carbon dioxide (CO{sub 2}) storage for improving the environmental impact of advanced power plants by B. McPherson; and Advanced technologies for syngas and hydrogen (H{sub 2}) production from fossil-fuel feedstocks in power plants by P. Chiesa.

  2. Computational design gains momentum in enzyme catalysis engineering

    NARCIS (Netherlands)

    Wijma, Hein J.; Janssen, Dick B.

    Computational protein design is becoming a powerful tool for tailoring enzymes for specific biotechnological applications. When applied to existing enzymes, computational re-design makes it possible to obtain orders of magnitude improvement in catalytic activity towards a new target substrate.

  3. Children as Educational Computer Game Designers: An Exploratory Study

    Science.gov (United States)

    Baytak, Ahmet; Land, Susan M.; Smith, Brian K.

    2011-01-01

    This study investigated how children designed computer games as artifacts that reflected their understanding of nutrition. Ten 5th grade students were asked to design computer games with the software "Game Maker" for the purpose of teaching 1st graders about nutrition. The results from the case study show that students were able to…

  4. Designing User-Computer Dialogues: Basic Principles and Guidelines.

    Science.gov (United States)

    Harrell, Thomas H.

    This discussion of the design of computerized psychological assessment or testing instruments stresses the importance of the well-designed computer-user interface. The principles underlying the three main functional elements of computer-user dialogue--data entry, data display, and sequential control--are discussed, and basic guidelines derived…

  5. Software For Computer-Aided Design Of Control Systems

    Science.gov (United States)

    Wette, Matthew

    1994-01-01

    Computer Aided Engineering System (CAESY) software developed to provide means to evaluate methods for dealing with users' needs in computer-aided design of control systems. Interpreter program for performing engineering calculations. Incorporates features of both Ada and MATLAB. Designed to be flexible and powerful. Includes internally defined functions, procedures and provides for definition of functions and procedures by user. Written in C language.

  6. 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

  7. Critiquing the Computer-Aided Design of Dental Prostheses.

    Science.gov (United States)

    Fitzpatrick, F. J.; And Others

    This paper describes RaPiD, a computer-aided assistant for the design of dental prostheses called removable partial dentures. The user manipulates icons directly to indicate the desired design solution to a given clinical situation. A developing design is represented as a logic database of components in a design; expert rules are applied as…

  8. How to design some computer WAN

    International Nuclear Information System (INIS)

    Zhang Chengjun; Huang Hongmei

    2001-01-01

    The author introduces a way of how to construct computer WAN, depending on the present condition of enterprise, under the social surrounding in which the technology of internet is rapidly spread and developed at present, and gives a detailed dispose of main network equipment

  9. How to design some computer WAN

    International Nuclear Information System (INIS)

    Zhang Chengjun; Huang Hongmei

    2000-01-01

    The authors introduce a way of how to construct computer WAN, depending on the present condition of enterprise, under the social surrounding in which the technology of internet is rapidly spread and developed at present. And gives the detailed dispose of main network equipment

  10. Computer-Aided Design/Computer-Assisted Manufacture Monolithic Restorations for Severely Worn Dentition: A Case History Report.

    Science.gov (United States)

    Abou-Ayash, Samir; Boldt, Johannes; Vuck, Alexander

    Full-arch rehabilitation of patients with severe tooth wear due to parafunctional behavior is a challenge for dentists and dental technicians, especially when a highly esthetic outcome is desired. A variety of different treatment options and prosthetic materials are available for such a clinical undertaking. The ongoing progress of computer-aided design/computer-assisted manufacture technologies in combination with all-ceramic materials provides a predictable workflow for these complex cases. This case history report describes a comprehensive, step-by-step treatment protocol leading to an optimally predictable treatment outcome for an esthetically compromised patient.

  11. Universal Design: Implications for Computing Education

    Science.gov (United States)

    Burgstahler, Sheryl

    2011-01-01

    Universal design (UD), a concept that grew from the field of architecture, has recently emerged as a paradigm for designing instructional methods, curriculum, and assessments that are welcoming and accessible to students with a wide range of characteristics, including those related to race, ethnicity, native language, gender, age, and disability.…

  12. On Architectural Acoustics Design using Computer Simulation

    DEFF Research Database (Denmark)

    Schmidt, Anne Marie Due; Kirkegaard, Poul Henning

    2004-01-01

    The acoustical quality of a given building, or space within the building, is highly dependent on the architectural design. Architectural acoustics design has in the past been based on simple design rules. However, with a growing complexity in the architectural acoustic and the emergence of potent...... room acoustic simulation programs it is now possible to subjectively analyze and evaluate acoustic properties prior to the actual construction of a facility. With the right tools applied, the acoustic design can become an integrated part of the architectural design process. The aim of the present paper...... this information is discussed. The conclusion of the paper is that the application of acoustical simulation programs is most beneficial in the last of three phases but that an application of the program to the two first phases would be preferable and possible with an improvement of the interface of the program....

  13. 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

  14. 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...

  15. Material, Structural Design of Armour Units

    DEFF Research Database (Denmark)

    Burcharth, Hans F.

    Stone and concrete are two materials generally used for the construction of rubble mound breakwaters. This paper deals with concrete only.......Stone and concrete are two materials generally used for the construction of rubble mound breakwaters. This paper deals with concrete only....

  16. Design and analysis of novel photocatalytic materials

    Science.gov (United States)

    Boppana, Venkata Bharat Ram

    The development of sustainable sources of energy to decrease our dependence on non-renewable fossil fuels and the reduction of emissions causing global warming are important technological challenges of the 21st century. Production of solar fuels by photocatalysis is one potential route to reduce the impact of those problems. The most widely applied photocatalyst is TiO2 because it is stable, non-toxic and inexpensive. Still, it cannot utilize the solar spectrum efficiently as its band gap is 3.2 eV thus able to absorb only 3% of sun light. This thesis therefore explores multiple avenues towards improving the light absorption capability of semiconductor materials without loss in activity. To achieve this objective, the valence band hybridization method of band gap reduction was utilized. This technique is based on introducing new orbitals at the top of valence band of the semiconductor that can then hybridize with existing orbitals. The hybridization then raises the maximum of the valence band thereby reducing the band gap. This technique has the added advantage of increasing the mobility of oxidizing holes in the now dispersed valence band. In practice, this can be achieved by introducing N 2p or Sn 5s orbitals in the valence band of an oxide. We initially designed novel zinc gallium oxy-nitrides, with the spinel structure and band gaps in the visible region of the solar spectrum, by nitridation of a zinc gallate precursor produced by sol-gel synthesis. These spinel oxy-nitrides have band gaps of 2.5 to 2.7 eV, surface areas of 16 to 36 m 2/g, and nitrogen content less than 1.5%. They are active towards degradation of organic molecules in visible light. Density functional theory calculations show that this band gap reduction in part is associated with hybridization between the dopant N 2p states with Zn 3d orbitals at the top of the valence band. While spinel oxy-nitrides are produced under nitridation at 550°C, at higher temperatures they are consumed to form

  17. Evaluation of mini super computers for nuclear design applications

    International Nuclear Information System (INIS)

    Altomare, S.; Baradari, F.

    1987-01-01

    The evolution of the mini super computers will force changes from the current environment of performing nuclear design calculations on mainframe computers (such as a CRAY) to mini super computers. This change will come about for a number of reasons. First, the mini super computers currently available in the marketplace offer the power and speed comparable to mainframes and can provide the capability to support highly computer intensive calculations. Second, the equipment is physically smaller and can easily be installed and operated without extensive investments in facilities and operations support. Third, the computer capacity can be acquired with as much needed memory, disk, and tape capacity as may be needed. Another reasons is that the performance/cost ratio has increased drastically as hardware costs have decreased. A study was conducted at the Westinghouse Commercial Nuclear Fuel Division (CNFD) to evaluate the mini super computers for use in nuclear core design. As a result of this evaluation, Westinghouse CNFD is offering a combined hardware/software technology transfer package for core design. This package provides the utility designer with a totally dedicated mini super computer comparable in speed to the CRAY 1S with sufficient capacity for a sizable design group to perform the engineering activities related to nuclear core design and operations support. This also assures the utility of being totally compatible with the CNFD design codes, thus assuring total update compatibility

  18. 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.

  19. 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

  20. Computer-aided dispatching system design specification

    Energy Technology Data Exchange (ETDEWEB)

    Briggs, M.G.

    1997-12-16

    This document defines the performance requirements for a graphic display dispatching system to support Hanford Patrol Operations Center. This document reflects the as-built requirements for the system that was delivered by GTE Northwest, Inc. This system provided a commercial off-the-shelf computer-aided dispatching system and alarm monitoring system currently in operations at the Hanford Patrol Operations Center, Building 2721E. This system also provides alarm back-up capability for the Plutonium Finishing Plant (PFP).

  1. A Design Methodology for Computer Security Testing

    OpenAIRE

    Ramilli, Marco

    2013-01-01

    The field of "computer security" is often considered something in between Art and Science. This is partly due to the lack of widely agreed and standardized methodologies to evaluate the degree of the security of a system. This dissertation intends to contribute to this area by investigating the most common security testing strategies applied nowadays and by proposing an enhanced methodology that may be effectively applied to different threat scenarios with the same degree of effectiveness. ...

  2. Computer-Aided dispatching system design specification

    International Nuclear Information System (INIS)

    Briggs, M.G.

    1996-01-01

    This document defines the performance requirements for a graphic display dispatching system to support Hanford Patrol emergency response. This system is defined as a Commercial-Off the-Shelf computer dispatching system providing both text and graphical display information while interfacing with the diverse reporting system within the Hanford Facility. This system also provided expansion capabilities to integrate Hanford Fire and the Occurrence Notification Center and provides back-up capabilities for the Plutonium Processing Facility

  3. Computer-aided dispatching system design specification

    International Nuclear Information System (INIS)

    Briggs, M.G.

    1997-01-01

    This document defines the performance requirements for a graphic display dispatching system to support Hanford Patrol Operations Center. This document reflects the as-built requirements for the system that was delivered by GTE Northwest, Inc. This system provided a commercial off-the-shelf computer-aided dispatching system and alarm monitoring system currently in operations at the Hanford Patrol Operations Center, Building 2721E. This system also provides alarm back-up capability for the Plutonium Finishing Plant (PFP)

  4. On architectural acoustic design using computer simulation

    DEFF Research Database (Denmark)

    Schmidt, Anne Marie Due; Kirkegaard, Poul Henning

    2004-01-01

    properties prior to the actual construction of a building. With the right tools applied, acoustic design can become an integral part of the architectural design process. The aim of this paper is to investigate the field of application that an acoustic simulation programme can have during an architectural...... acoustic design process. The emphasis is put on the first three out of five phases in the working process of the architect and a case study is carried out in which each phase is represented by typical results ? as exemplified with reference to the design of Bagsværd Church by Jørn Utzon. The paper...... discusses the advantages and disadvantages of the programme in each phase compared to the works of architects not using acoustic simulation programmes. The conclusion of the paper is that the application of acoustic simulation programs is most beneficial in the last of three phases but an application...

  5. 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.

  6. 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

  7. Computational chemical product design problems under property uncertainties

    DEFF Research Database (Denmark)

    Frutiger, Jerome; Cignitti, Stefano; Abildskov, Jens

    2017-01-01

    Three different strategies of how to combine computational chemical product design with Monte Carlo based methods for uncertainty analysis of chemical properties are outlined. One method consists of a computer-aided molecular design (CAMD) solution and a post-processing property uncertainty...... fluid design. While the higher end of the uncertainty range of the process model output is similar for the best performing fluids, the lower end of the uncertainty range differs largely....

  8. 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

  9. 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.

  10. Designing Teaching Materials for Learning Problem Solving in Technology Education

    NARCIS (Netherlands)

    Doornekamp, B.G.

    In the process of designing teaching materials for learning problem solving in technology education, domain-specific design specifications are considered important elements to raise learning outcomes with these materials. Two domain-specific design specifications were drawn up using a four-step

  11. 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.

  12. Synthesis and design of silicide intermetallic materials

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, J.J.; Castro, R.G.; Butt, D.P. [Los Alamos National Lab., NM (United States)] [and others

    1997-04-01

    The overall objective of this program is to develop structural silicide-based materials with optimum combinations of elevated temperature strength/creep resistance, low temperature fracture toughness, and high temperature oxidation and corrosion resistance for applications of importance to the U.S. processing industry. A further objective is to develop silicide-based prototype industrial components. The ultimate aim of the program is to work with industry to transfer the structural silicide materials technology to the private sector in order to promote international competitiveness in the area of advanced high temperature materials and important applications in major energy-intensive U.S. processing industries. The program presently has a number of developing industrial connections, including a CRADA with Schuller International Inc. targeted at the area of MoSi{sub 2}-based high temperature materials and components for fiberglass melting and processing applications. The authors are also developing an interaction with the Institute of Gas Technology (IGT) to develop silicides for high temperature radiant gas burner applications, for the glass and other industries. Current experimental emphasis is on the development and characterization of MoSi{sub 2}-Si{sub 3}N{sub 4} and MoSi{sub 2}-SiC composites, the plasma spraying of MoSi{sub 2}-based materials, and the joining of MoSi{sub 2} materials to metals.

  13. Nonlinear machine learning in soft materials engineering and design

    Science.gov (United States)

    Ferguson, Andrew

    The inherently many-body nature of molecular folding and colloidal self-assembly makes it challenging to identify the underlying collective mechanisms and pathways governing system behavior, and has hindered rational design of soft materials with desired structure and function. Fundamentally, there exists a predictive gulf between the architecture and chemistry of individual molecules or colloids and the collective many-body thermodynamics and kinetics. Integrating machine learning techniques with statistical thermodynamics provides a means to bridge this divide and identify emergent folding pathways and self-assembly mechanisms from computer simulations or experimental particle tracking data. We will survey a few of our applications of this framework that illustrate the value of nonlinear machine learning in understanding and engineering soft materials: the non-equilibrium self-assembly of Janus colloids into pinwheels, clusters, and archipelagos; engineering reconfigurable ''digital colloids'' as a novel high-density information storage substrate; probing hierarchically self-assembling onjugated asphaltenes in crude oil; and determining macromolecular folding funnels from measurements of single experimental observables. We close with an outlook on the future of machine learning in soft materials engineering, and share some personal perspectives on working at this disciplinary intersection. We acknowledge support for this work from a National Science Foundation CAREER Award (Grant No. DMR-1350008) and the Donors of the American Chemical Society Petroleum Research Fund (ACS PRF #54240-DNI6).

  14. Computer-Aided dispatching system design specification

    Energy Technology Data Exchange (ETDEWEB)

    Briggs, M.G.

    1996-09-27

    This document defines the performance requirements for a graphic display dispatching system to support Hanford Patrol emergency response. This document outlines the negotiated requirements as agreed to by GTE Northwest during technical contract discussions. This system defines a commercial off-the-shelf computer dispatching system providing both test and graphic display information while interfacing with diverse alarm reporting system within the Hanford Site. This system provided expansion capability to integrate Hanford Fire and the Occurrence Notification Center. The system also provided back-up capability for the Plutonium Processing Facility (PFP).

  15. General aviation design synthesis utilizing interactive computer graphics

    Science.gov (United States)

    Galloway, T. L.; Smith, M. R.

    1976-01-01

    Interactive computer graphics is a fast growing area of computer application, due to such factors as substantial cost reductions in hardware, general availability of software, and expanded data communication networks. In addition to allowing faster and more meaningful input/output, computer graphics permits the use of data in graphic form to carry out parametric studies for configuration selection and for assessing the impact of advanced technologies on general aviation designs. The incorporation of interactive computer graphics into a NASA developed general aviation synthesis program is described, and the potential uses of the synthesis program in preliminary design are demonstrated.

  16. Computational manufacturing as a bridge between design and production.

    Science.gov (United States)

    Tikhonravov, Alexander V; Trubetskov, Michael K

    2005-11-10

    Computational manufacturing of optical coatings is a research area that can be placed between theoretical designing and practical manufacturing in the same way that computational physics can be placed between theoretical and experimental physics. Investigations in this area have been performed for more than 30 years under the name of computer simulation of manufacturing and monitoring processes. Our goal is to attract attention to the increasing importance of computational manufacturing at the current state of the art in the design and manufacture of optical coatings and to demonstrate possible applications of this research tool.

  17. Computer Assisted Instructional Design for Computer-Based Instruction. Final Report. Working Papers.

    Science.gov (United States)

    Russell, Daniel M.; Pirolli, Peter

    Recent advances in artificial intelligence and the cognitive sciences have made it possible to develop successful intelligent computer-aided instructional systems for technical and scientific training. In addition, computer-aided design (CAD) environments that support the rapid development of such computer-based instruction have also been recently…

  18. Computer Graphics 2: More of the Best Computer Art and Design.

    Science.gov (United States)

    1994

    This collection of computer generated images aims to present media tools and processes, stimulate ideas, and inspire artists and art students working in computer-related design. The images are representative of state-of-the-art editorial, broadcast, packaging, fine arts, and graphic techniques possible through computer generation. Each image is…

  19. Design and Fabrication of Aerospace-Grade Digital Composite Materials

    Data.gov (United States)

    National Aeronautics and Space Administration — This project aims to advance design rules and fabrication approaches to create aerospace-grade structures from digital composite materials. Digital materials are...

  20. Design for containment of hazardous materials

    International Nuclear Information System (INIS)

    Murray, R.C.; McDonald, J.R.

    1991-03-01

    Department of Energy, (DOE), facilities across the United States, use wind and tornado design and evaluation criteria based on probabilistic performance goals. In addition, other programs such as Advanced Light Water Reactors, New Production Reactors, and Individual Plant Examinations for External Events for commercial nuclear power plants utilize design and evaluation criteria based on probabilistic performance goals. The use of probabilistic performance goals is a departure from design practice for commercial nuclear power plants which have traditionally been designed utilizing a conservative specification of wind and tornado loading combined with deterministic response evaluation methods and permissible behavior limits. Approaches which utilize probabilistic wind and tornado hazard curves for specification of loading and deterministic response evaluation methods and permissible behavior limits are discussed in this paper. Through the use of such design/evaluation approaches, it may be demonstrated that there is high likelihood that probabilistic performance goals can be achieved. 14 refs., 1 fig., 5 tabs

  1. A Computational Lens on Design Research

    Science.gov (United States)

    Hoyles, Celia; Noss, Richard

    2015-01-01

    In this commentary, we briefly review the collective effort of design researchers to weave theory with empirical results, in order to gain a better understanding of the processes of learning. We seek to respond to this challenging agenda by centring on the evolution of one sub-field: namely that which involves investigations within a…

  2. Computation, architectural design and fabrication logic

    DEFF Research Database (Denmark)

    Larsen, Niels Martin

    2016-01-01

    Digital fabrication and digital form generation can change the way different professions interact in relation to the development and construction of architecture. The technologies can provide a more integrated design process and expand the architectural vocabulary. At Aarhus School of Architectur...

  3. 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.

  4. 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.

  5. Computer organization and design the hardware/software interface

    CERN Document Server

    Hennessy, John L

    1994-01-01

    Computer Organization and Design: The Hardware/Software Interface presents the interaction between hardware and software at a variety of levels, which offers a framework for understanding the fundamentals of computing. This book focuses on the concepts that are the basis for computers.Organized into nine chapters, this book begins with an overview of the computer revolution. This text then explains the concepts and algorithms used in modern computer arithmetic. Other chapters consider the abstractions and concepts in memory hierarchies by starting with the simplest possible cache. This book di

  6. 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.

  7. Metamodels for Computer-Based Engineering Design: Survey and Recommendations

    Science.gov (United States)

    Simpson, Timothy W.; Peplinski, Jesse; Koch, Patrick N.; Allen, Janet K.

    1997-01-01

    The use of statistical techniques to build approximations of expensive computer analysis codes pervades much of todays engineering design. These statistical approximations, or metamodels, are used to replace the actual expensive computer analyses, facilitating multidisciplinary, multiobjective optimization and concept exploration. In this paper we review several of these techniques including design of experiments, response surface methodology, Taguchi methods, neural networks, inductive learning, and kriging. We survey their existing application in engineering design and then address the dangers of applying traditional statistical techniques to approximate deterministic computer analysis codes. We conclude with recommendations for the appropriate use of statistical approximation techniques in given situations and how common pitfalls can be avoided.

  8. Program computes single-point failures in critical system designs

    Science.gov (United States)

    Brown, W. R.

    1967-01-01

    Computer program analyzes the designs of critical systems that will either prove the design is free of single-point failures or detect each member of the population of single-point failures inherent in a system design. This program should find application in the checkout of redundant circuits and digital systems.

  9. New computing systems, future computing environment, and their implications on structural analysis and design

    Science.gov (United States)

    Noor, Ahmed K.; Housner, Jerrold M.

    1993-01-01

    Recent advances in computer technology that are likely to impact structural analysis and design of flight vehicles are reviewed. A brief summary is given of the advances in microelectronics, networking technologies, and in the user-interface hardware and software. The major features of new and projected computing systems, including high performance computers, parallel processing machines, and small systems, are described. Advances in programming environments, numerical algorithms, and computational strategies for new computing systems are reviewed. The impact of the advances in computer technology on structural analysis and the design of flight vehicles is described. A scenario for future computing paradigms is presented, and the near-term needs in the computational structures area are outlined.

  10. Computer models in the design of FXR

    International Nuclear Information System (INIS)

    Vogtlin, G.; Kuenning, R.

    1980-01-01

    Lawrence Livermore National Laboratory is developing a 15 to 20 MeV electron accelerator with a beam current goal of 4 kA. This accelerator will be used for flash radiography and has a requirement of high reliability. Components being developed include spark gaps, Marx generators, water Blumleins and oil insulation systems. A SCEPTRE model was developed that takes into consideration the non-linearity of the ferrite and the time dependency of the emission from a field emitter cathode. This model was used to predict an optimum charge time to obtain maximum magnetic flux change from the ferrite. This model and its application will be discussed. JASON was used extensively to determine optimum locations and shapes of supports and insulators. It was also used to determine stress within bubbles adjacent to walls in oil. Computer results will be shown and bubble breakdown will be related to bubble size

  11. Towards practical control design using neural computation

    Science.gov (United States)

    Troudet, Terry; Garg, Sanjay; Mattern, Duane; Merrill, Walter

    1991-01-01

    The objective is to develop neural network based control design techniques which address the issue of performance/control effort tradeoff. Additionally, the control design needs to address the important issue if achieving adequate performance in the presence of actuator nonlinearities such as position and rate limits. These issues are discussed using the example of aircraft flight control. Given a set of pilot input commands, a feedforward net is trained to control the vehicle within the constraints imposed by the actuators. This is achieved by minimizing an objective function which is the sum of the tracking errors, control input rates and control input deflections. A tradeoff between tracking performance and control smoothness is obtained by varying, adaptively, the weights of the objective function. The neurocontroller performance is evaluated in the presence of actuator dynamics using a simulation of the vehicle. Appropriate selection of the different weights in the objective function resulted in the good tracking of the pilot commands and smooth neurocontrol. An extension of the neurocontroller design approach is proposed to enhance its practicality.

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

    Science.gov (United States)

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

    2018-04-01

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

  13. Design concepts for improved thermoelectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Slack, G A

    1997-07-01

    Some new guidelines are given that should be useful in the search for thermoelectric materials that are better than those currently available. In particular, clathrate and cryptoclathrate compounds with filler atoms in their cages offer the ability to substantially lower the lattice thermal conductivity.

  14. 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...

  15. Computational design of proteins with novel structure and functions

    International Nuclear Information System (INIS)

    Yang Wei; Lai Lu-Hua

    2016-01-01

    Computational design of proteins is a relatively new field, where scientists search the enormous sequence space for sequences that can fold into desired structure and perform desired functions. With the computational approach, proteins can be designed, for example, as regulators of biological processes, novel enzymes, or as biotherapeutics. These approaches not only provide valuable information for understanding of sequence–structure–function relations in proteins, but also hold promise for applications to protein engineering and biomedical research. In this review, we briefly introduce the rationale for computational protein design, then summarize the recent progress in this field, including de novo protein design, enzyme design, and design of protein–protein interactions. Challenges and future prospects of this field are also discussed. (topical review)

  16. Bionic Design, Materials and Performance of Bone Tissue Scaffolds

    Directory of Open Access Journals (Sweden)

    Tong Wu

    2017-10-01

    Full Text Available Design, materials, and performance are important factors in the research of bone tissue scaffolds. This work briefly describes the bone scaffolds and their anatomic structure, as well as their biological and mechanical characteristics. Furthermore, we reviewed the characteristics of metal materials, inorganic materials, organic polymer materials, and composite materials. The importance of the bionic design in preoperative diagnosis models and customized bone scaffolds was also discussed, addressing both the bionic structure design (macro and micro structure and the bionic performance design (mechanical performance and biological performance. Materials and performance are the two main problems in the development of customized bone scaffolds. Bionic design is an effective way to solve these problems, which could improve the clinical application of bone scaffolds, by creating a balance between mechanical performance and biological performance.

  17. ASDA - Advanced Suit Design Analyzer computer program

    Science.gov (United States)

    Bue, Grant C.; Conger, Bruce C.; Iovine, John V.; Chang, Chi-Min

    1992-01-01

    An ASDA model developed to evaluate the heat and mass transfer characteristics of advanced pressurized suit design concepts for low pressure or vacuum planetary applications is presented. The model is based on a generalized 3-layer suit that uses the Systems Integrated Numerical Differencing Analyzer '85 in conjunction with a 41-node FORTRAN routine. The latter simulates the transient heat transfer and respiratory processes of a human body in a suited environment. The user options for the suit encompass a liquid cooled garment, a removable jacket, a CO2/H2O permeable layer, and a phase change layer.

  18. Here and now: the intersection of computational science, quantum-mechanical simulations, and materials science

    Science.gov (United States)

    Marzari, Nicola

    The last 30 years have seen the steady and exhilarating development of powerful quantum-simulation engines for extended systems, dedicated to the solution of the Kohn-Sham equations of density-functional theory, often augmented by density-functional perturbation theory, many-body perturbation theory, time-dependent density-functional theory, dynamical mean-field theory, and quantum Monte Carlo. Their implementation on massively parallel architectures, now leveraging also GPUs and accelerators, has started a massive effort in the prediction from first principles of many or of complex materials properties, leading the way to the exascale through the combination of HPC (high-performance computing) and HTC (high-throughput computing). Challenges and opportunities abound: complementing hardware and software investments and design; developing the materials' informatics infrastructure needed to encode knowledge into complex protocols and workflows of calculations; managing and curating data; resisting the complacency that we have already reached the predictive accuracy needed for materials design, or a robust level of verification of the different quantum engines. In this talk I will provide an overview of these challenges, with the ultimate prize being the computational understanding, prediction, and design of properties and performance for novel or complex materials and devices.

  19. Computer Aided Design of a Low-Cost Painting Robot

    Directory of Open Access Journals (Sweden)

    SYEDA MARIA KHATOON ZAIDI

    2017-10-01

    Full Text Available The application of robots or robotic systems for painting parts is becoming increasingly conventional; to improve reliability, productivity, consistency and to decrease waste. However, in Pakistan only highend Industries are able to afford the luxury of a robotic system for various purposes. In this study we propose an economical Painting Robot that a small-scale industry can install in their plant with ease. The importance of this robot is that being cost effective, it can easily be replaced in small manufacturing industries and therefore, eliminate health problems occurring to the individual in charge of painting parts on an everyday basis. To achieve this aim, the robot is made with local parts with only few exceptions, to cut costs; and the programming language is kept at a mediocre level. Image processing is used to establish object recognition and it can be programmed to paint various simple geometries. The robot is placed on a conveyer belt to maximize productivity. A four DoF (Degree of Freedom arm increases the working envelope and accessibility of painting different shaped parts with ease. This robot is capable of painting up, front, back, left and right sides of the part with a single colour. Initially CAD (Computer Aided Design models of the robot were developed which were analyzed, modified and improved to withstand loading condition and perform its task efficiently. After design selection, appropriate motors and materials were selected and the robot was developed. Throughout the development phase, minor problems and errors were fixed accordingly as they arose. Lastly the robot was integrated with the computer and image processing for autonomous control. The final results demonstrated that the robot is economical and reduces paint wastage.

  20. Computer aided design of a low-cost painting robot

    International Nuclear Information System (INIS)

    Zaidi, S.M.; Janejo, F.; Mujtaba, S.B.

    2017-01-01

    The application of robots or robotic systems for painting parts is becoming increasingly conventional; to improve reliability, productivity, consistency and to decrease waste. However, in Pakistan only highend Industries are able to afford the luxury of a robotic system for various purposes. In this study we propose an economical Painting Robot that a small-scale industry can install in their plant with ease. The importance of this robot is that being cost effective, it can easily be replaced in small manufacturing industries and therefore, eliminate health problems occurring to the individual in charge of painting parts on an everyday basis. To achieve this aim, the robot is made with local parts with only few exceptions, to cut costs; and the programming language is kept at a mediocre level. Image processing is used to establish object recognition and it can be programmed to paint various simple geometries. The robot is placed on a conveyer belt to maximize productivity. A four DoF (Degree of Freedom) arm increases the working envelope and accessibility of painting different shaped parts with ease. This robot is capable of painting up, front, back, left and right sides of the part with a single colour. Initially CAD (Computer Aided Design) models of the robot were developed which were analyzed, modified and improved to withstand loading condition and perform its task efficiently. After design selection, appropriate motors and materials were selected and the robot was developed. Throughout the development phase, minor problems and errors were fixed accordingly as they arose. Lastly the robot was integrated with the computer and image processing for autonomous control. The final results demonstrated that the robot is economical and reduces paint wastage. (author)

  1. Computer aided system for parametric design of combination die

    Science.gov (United States)

    Naranje, Vishal G.; Hussein, H. M. A.; Kumar, S.

    2017-09-01

    In this paper, a computer aided system for parametric design of combination dies is presented. The system is developed using knowledge based system technique of artificial intelligence. The system is capable to design combination dies for production of sheet metal parts having punching and cupping operations. The system is coded in Visual Basic and interfaced with AutoCAD software. The low cost of the proposed system will help die designers of small and medium scale sheet metal industries for design of combination dies for similar type of products. The proposed system is capable to reduce design time and efforts of die designers for design of combination dies.

  2. Computer Aided Design Tools for Extreme Environment Electronics, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This project aims to provide Computer Aided Design (CAD) tools for radiation-tolerant, wide-temperature-range digital, analog, mixed-signal, and radio-frequency...

  3. 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.

  4. 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 ...

  5. 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.

  6. Design and applications of Computed Industrial Tomographic Imaging System (CITIS)

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishna, G S; Kumar, Umesh; Datta, S S [Bhabha Atomic Research Centre, Bombay (India). Isotope Div.

    1994-12-31

    This paper highlights the design and development of a prototype Computed Tomographic (CT) imaging system and its software for image reconstruction, simulation and display. It also describes results obtained with several test specimens including Dhruva reactor uranium fuel assembly and possibility of using neutrons as well as high energy x-rays in computed tomography. 5 refs., 4 figs.

  7. Cloud Computing for Teaching Practice: A New Design?

    Science.gov (United States)

    Saadatdoost, Robab; Sim, Alex Tze Hiang; Jafarkarimi, Hosein; Hee, Jee Mei; Saadatdoost, Leila

    2014-01-01

    Recently researchers have shown an increased interest in cloud computing technology. It is becoming increasingly difficult to ignore cloud computing technology in education context. However rapid changes in information technology are having a serious effect on teaching framework designs. So far, however, there has been little discussion about…

  8. Automatic design of optical systems by digital computer

    Science.gov (United States)

    Casad, T. A.; Schmidt, L. F.

    1967-01-01

    Computer program uses geometrical optical techniques and a least squares optimization method employing computing equipment for the automatic design of optical systems. It evaluates changes in various optical parameters, provides comprehensive ray-tracing, and generally determines the acceptability of the optical system characteristics.

  9. User Participation and Participatory Design: Topics in Computing Education.

    Science.gov (United States)

    Kautz, Karlheinz

    1996-01-01

    Discusses user participation and participatory design in the context of formal education for computing professionals. Topics include the current curriculum debate; mathematical- and engineering-based education; traditional system-development training; and an example of a course program that includes computers and society, and prototyping. (53…

  10. Computational tools for cyclotron design, commissioning, and operation

    International Nuclear Information System (INIS)

    Kost, C.J.

    1989-05-01

    Many support systems are required in the design, commissioning, and normal operation of a modern cyclotron. Presented is an overview of the computing environment developed during these various stages at TRIUMF. The current computing environment is also discussed, with emphasis on how one can provide an integrated system which is user-friendly

  11. Computer codes used in particle accelerator design: First edition

    International Nuclear Information System (INIS)

    1987-01-01

    This paper contains a listing of more than 150 programs that have been used in the design and analysis of accelerators. Given on each citation are person to contact, classification of the computer code, publications describing the code, computer and language runned on, and a short description of the code. Codes are indexed by subject, person to contact, and code acronym

  12. 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

  13. 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.

  14. A Perspective on Computational Human Performance Models as Design Tools

    Science.gov (United States)

    Jones, Patricia M.

    2010-01-01

    The design of interactive systems, including levels of automation, displays, and controls, is usually based on design guidelines and iterative empirical prototyping. A complementary approach is to use computational human performance models to evaluate designs. An integrated strategy of model-based and empirical test and evaluation activities is particularly attractive as a methodology for verification and validation of human-rated systems for commercial space. This talk will review several computational human performance modeling approaches and their applicability to design of display and control requirements.

  15. Enzyme (re)design: lessons from natural evolution and computation.

    Science.gov (United States)

    Gerlt, John A; Babbitt, Patricia C

    2009-02-01

    The (re)design of enzymes to catalyze 'new' reactions is a topic of considerable practical and intellectual interest. Directed evolution (random mutagenesis followed by screening/selection) has been used widely to identify novel biocatalysts. However, 'rational' approaches using either natural divergent evolution or computational predictions based on chemical principles have been less successful. This review summarizes recent progress in evolution-based and computation-based (re)design.

  16. Computer modelling of structures with account of the construction stages and the time dependent material properties

    Directory of Open Access Journals (Sweden)

    Traykov Alexander

    2015-01-01

    Full Text Available Numerical studies are performed on computer models taking into account the stages of construction and time dependent material properties defined in two forms. A 2D model of three storey two spans frame is created. The first form deals with material defined in the usual design practice way - without taking into account the time dependent properties of the concrete. The second form creep and shrinkage of the concrete are taken into account. Displacements and internal forces in specific elements and sections are reported. The influence of the time dependent material properties on the displacement and the internal forces in the main structural elements is tracked down. The results corresponding to the two forms of material definition are compared together as well as with the results obtained by the usual design calculations. Conclusions on the influence of the concrete creep and shrinkage during the construction towards structural behaviour are made.

  17. Direct methods for limit and shakedown analysis of structures advanced computational algorithms and material modelling

    CERN Document Server

    Pisano, Aurora; Weichert, Dieter

    2015-01-01

    Articles in this book examine various materials and how to determine directly the limit state of a structure, in the sense of limit analysis and shakedown analysis. Apart from classical applications in mechanical and civil engineering contexts, the book reports on the emerging field of material design beyond the elastic limit, which has further industrial design and technological applications. Readers will discover that “Direct Methods” and the techniques presented here can in fact be used to numerically estimate the strength of structured materials such as composites or nano-materials, which represent fruitful fields of future applications.   Leading researchers outline the latest computational tools and optimization techniques and explore the possibility of obtaining information on the limit state of a structure whose post-elastic loading path and constitutive behavior are not well defined or well known. Readers will discover how Direct Methods allow rapid and direct access to requested information in...

  18. Software design for resilient computer systems

    CERN Document Server

    Schagaev, Igor

    2016-01-01

    This book addresses the question of how system software should be designed to account for faults, and which fault tolerance features it should provide for highest reliability. The authors first show how the system software interacts with the hardware to tolerate faults. They analyze and further develop the theory of fault tolerance to understand the different ways to increase the reliability of a system, with special attention on the role of system software in this process. They further develop the general algorithm of fault tolerance (GAFT) with its three main processes: hardware checking, preparation for recovery, and the recovery procedure. For each of the three processes, they analyze the requirements and properties theoretically and give possible implementation scenarios and system software support required. Based on the theoretical results, the authors derive an Oberon-based programming language with direct support of the three processes of GAFT. In the last part of this book, they introduce a simulator...

  19. 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).

  20. Design of digital learning material for bioprocess-engineering-education

    NARCIS (Netherlands)

    Schaaf, van der H.

    2007-01-01

    With the advance of computers and the internet, new types of learning material can be developed: web-based digital learning material. Because many complex learning objectives in the food- and bioprocess technology domain are difficult to achieve in a traditional learning environment, a project was

  1. 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.

  2. 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...

  3. Structural optimization for materially informed design to robotic production processes

    NARCIS (Netherlands)

    Bier, H.H.; Mostafavi, S.

    2015-01-01

    Hyperbody’s materially informed Design-to-Robotic-Production (D2RP) processes for additive and subtractive manufacturing aim to achieve performative porosity in architecture at various scales. An extended series of D2RP experiments aiming to produce prototypes at 1:1 scale wherein design materiality

  4. Computational design of in vivo biomarkers

    International Nuclear Information System (INIS)

    Somogyi, Bálint; Gali, Adam

    2014-01-01

    Fluorescent semiconductor nanocrystals (or quantum dots) are very promising agents for bioimaging applications because their optical properties are superior compared to those of conventional organic dyes. However, not all the properties of these quantum dots suit the stringent criteria of in vivo applications, i.e. their employment in living organisms that might be of importance in therapy and medicine. In our review, we first summarize the properties of an ‘ideal’ biomarker needed for in vivo applications. Despite recent efforts, no such hand-made fluorescent quantum dot exists that may be considered as ‘ideal’ in this respect. We propose that ab initio atomistic simulations with predictive power can be used to design ‘ideal’ in vivo fluorescent semiconductor nanoparticles. We briefly review such ab initio methods that can be applied to calculate the electronic and optical properties of very small nanocrystals, with extra emphasis on density functional theory (DFT) and time-dependent DFT which are the most suitable approaches for the description of these systems. Finally, we present our recent results on this topic where we investigated the applicability of nanodiamonds and silicon carbide nanocrystals for in vivo bioimaging. (topical review)

  5. Computational Design of Biomimetic Phosphate Scavengers

    DEFF Research Database (Denmark)

    Gruber, Mathias Felix; Wood, Elizabeth Baker; Truelsen, Sigurd Friis

    2015-01-01

    Phosphorus has long been the target of much research, but in recent years the focus has shifted from being limited only to reducing its detrimental environmental impact, to also looking at how it is linked to the global food security. Therefore, the interest in finding novel techniques for phosph......Phosphorus has long been the target of much research, but in recent years the focus has shifted from being limited only to reducing its detrimental environmental impact, to also looking at how it is linked to the global food security. Therefore, the interest in finding novel techniques...... for phosphorus recovery, as well as improving existing techniques, has increased. In this study we apply a hybrid simulation approach of molecular dynamics and quantum mechanics to investigate the binding modes of phosphate anions by a small intrinsically disordered peptide. Our results confirm...... phosphate could be the starting point of new novel technological approaches toward phosphorus recovery, and they represent an excellent model system for investigating the nature and dynamics of functional de novo designed intrinsically disordered proteins....

  6. Data Science and Optimal Learning for Material Discovery and Design

    Science.gov (United States)

    ; Optimal Learning for Material Discovery & Design Data Science and Optimal Learning for Material inference and optimization methods that can constrain predictions using insights and results from theory directions in the application of information theoretic tools to materials problems related to learning from

  7. Review of ASME-NH Design Materials for Creep-Fatigue

    International Nuclear Information System (INIS)

    Koo, Gyeong Hoi; Kim, Jong Bum

    2010-01-01

    To review and recommend the candidate design materials for the Sodium-Cooled Fast Reactor, the material sensitivity evaluations by the comparison of design data between the ASME-NH materials were performed by using the SIE ASME-NH computer program implementing the material database of the ASME-NH. The design material data provided by the ASME-NH code are the elastic modulus and yield Strength, Time-Independent Allowable Stress Intensity value, time-dependent allowable stress intensity value, expected minimum stress-to rupture value, stress rupture Factors for weldment, isochronous stress-strain curves, and design fatigue curves. Among these, the data related with the creep-fatigue evaluation are investigated in this study

  8. Workshop on materials control and accounting system design

    International Nuclear Information System (INIS)

    Pillay, K.K.S.

    1989-01-01

    The chapter describes the workshop aimed at reinforcing, through participation in the design exercise, the concepts of nuclear materials control and accountability. Topics include: workshop format; key elements of a materials management and accounting (MC and A) system; and MC and A system design including safeguards organization and management, material access areas, key measurement points, nuclear materials measurements, physical inventory, material balance closings, and internal controls. Appended to this chapter is a detailed description of a facility that produces metallic plutonium and the safeguards requirements for this facility

  9. Regulatory RNA design through evolutionary computation and strand displacement.

    Science.gov (United States)

    Rostain, William; Landrain, Thomas E; Rodrigo, Guillermo; Jaramillo, Alfonso

    2015-01-01

    The discovery and study of a vast number of regulatory RNAs in all kingdoms of life over the past decades has allowed the design of new synthetic RNAs that can regulate gene expression in vivo. Riboregulators, in particular, have been used to activate or repress gene expression. However, to accelerate and scale up the design process, synthetic biologists require computer-assisted design tools, without which riboregulator engineering will remain a case-by-case design process requiring expert attention. Recently, the design of RNA circuits by evolutionary computation and adapting strand displacement techniques from nanotechnology has proven to be suited to the automated generation of DNA sequences implementing regulatory RNA systems in bacteria. Herein, we present our method to carry out such evolutionary design and how to use it to create various types of riboregulators, allowing the systematic de novo design of genetic control systems in synthetic biology.

  10. 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.

  11. 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.

  12. 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.

  13. Materiality and Visualization in Hospital Design

    DEFF Research Database (Denmark)

    Harty, Chris; Tryggestad, Kjell

    healthcare systems, single bed rooms are being seen as the preferred alternative to more traditional ward-style accommodation, as it has advantages for privacy and dignity for patients, less disruption to other patients and better control of hospital acquired infections. But fundamentally, single rooms mean...... of different representations and visualizations – economic calculations, drawings, and virtual and physical models. We use these cases to discuss the roles of different sorts of representations and visualizations in design process, in terms of opening up and settling controversies (such as room size), in terms...

  14. Creating an Electronic Reference and Information Database for Computer-aided ECM Design

    Science.gov (United States)

    Nekhoroshev, M. V.; Pronichev, N. D.; Smirnov, G. V.

    2018-01-01

    The paper presents a review on electrochemical shaping. An algorithm has been developed to implement a computer shaping model applicable to pulse electrochemical machining. For that purpose, the characteristics of pulse current occurring in electrochemical machining of aviation materials have been studied. Based on integrating the experimental results and comprehensive electrochemical machining process data modeling, a subsystem for computer-aided design of electrochemical machining for gas turbine engine blades has been developed; the subsystem was implemented in the Teamcenter PLM system.

  15. 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

  16. 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

  17. A Generative Computer Model for Preliminary Design of Mass Housing

    Directory of Open Access Journals (Sweden)

    Ahmet Emre DİNÇER

    2014-05-01

    Full Text Available Today, we live in what we call the “Information Age”, an age in which information technologies are constantly being renewed and developed. Out of this has emerged a new approach called “Computational Design” or “Digital Design”. In addition to significantly influencing all fields of engineering, this approach has come to play a similar role in all stages of the design process in the architectural field. In providing solutions for analytical problems in design such as cost estimate, circulation systems evaluation and environmental effects, which are similar to engineering problems, this approach is being used in the evaluation, representation and presentation of traditionally designed buildings. With developments in software and hardware technology, it has evolved as the studies based on design of architectural products and production implementations with digital tools used for preliminary design stages. This paper presents a digital model which may be used in the preliminary stage of mass housing design with Cellular Automata, one of generative design systems based on computational design approaches. This computational model, developed by scripts of 3Ds Max software, has been implemented on a site plan design of mass housing, floor plan organizations made by user preferences and facade designs. By using the developed computer model, many alternative housing types could be rapidly produced. The interactive design tool of this computational model allows the user to transfer dimensional and functional housing preferences by means of the interface prepared for model. The results of the study are discussed in the light of innovative architectural approaches.

  18. Advanced Simulation and Computing Co-Design Strategy

    Energy Technology Data Exchange (ETDEWEB)

    Ang, James A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hoang, Thuc T. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kelly, Suzanne M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); McPherson, Allen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Neely, Rob [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-11-01

    This ASC Co-design Strategy lays out the full continuum and components of the co-design process, based on what we have experienced thus far and what we wish to do more in the future to meet the program’s mission of providing high performance computing (HPC) and simulation capabilities for NNSA to carry out its stockpile stewardship responsibility.

  19. Computer Game Design Classes: The Students' and Professionals' Perspectives

    Science.gov (United States)

    Swacha, Jakub; Skrzyszewski, Adam; Syslo, Wojciech A.

    2010-01-01

    There are multiple reasons that justify teaching computer game design. Its multi-aspectual nature creates opportunity to develop, at the same time, creativity, technical skills and ability to work in team. Thinking of game design classes, one needs direction on what to focus on so that the students could benefit the most. In this paper, we present…

  20. DEVELOPMENT OF COMPUTER AIDED DESIGN OF CHAIN COUPLING

    Directory of Open Access Journals (Sweden)

    Sergey Aleksandrovich Sergeev

    2015-12-01

    Full Text Available The present paper describes the development stages of computer-aided design of chain couplings. The first stage is the automation of traditional design techniques (intermediate automation. The second integrated automation with the development of automated equipment and production technology, including on the basis of flexible manufacturing systems (high level of automation.

  1. Computer-Aided Test Flow in Core-Based Design

    NARCIS (Netherlands)

    Zivkovic, V.; Tangelder, R.J.W.T.; Kerkhoff, Hans G.

    2000-01-01

    This paper copes with the test-pattern generation and fault coverage determination in the core based design. The basic core-test strategy that one has to apply in the core-based design is stated in this work. A Computer-Aided Test (CAT) flow is proposed resulting in accurate fault coverage of

  2. Issues in Text Design and Layout for Computer Based Communications.

    Science.gov (United States)

    Andresen, Lee W.

    1991-01-01

    Discussion of computer-based communications (CBC) focuses on issues involved with screen design and layout for electronic text, based on experiences with electronic messaging, conferencing, and publishing within the Australian Open Learning Information Network (AOLIN). Recommendations for research on design and layout for printed text are also…

  3. A solar powered wireless computer mouse: industrial design concepts

    NARCIS (Netherlands)

    Reich, N.H.; Veefkind, M.; van Sark, W.G.J.H.M.; Alsema, E.A.; Turkenburg, W.C.; Silvester, S.

    2009-01-01

    A solar powered wireless computer mouse (SPM) was chosen to serve as a case study for the evaluation and optimization of industrial design processes of photovoltaic (PV) powered consumer systems. As the design process requires expert knowledge in various technical fields, we assessed and compared

  4. 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.

  5. Computer organization and design the hardware/software interface

    CERN Document Server

    Patterson, David A

    2009-01-01

    The classic textbook for computer systems analysis and design, Computer Organization and Design, has been thoroughly updated to provide a new focus on the revolutionary change taking place in industry today: the switch from uniprocessor to multicore microprocessors. This new emphasis on parallelism is supported by updates reflecting the newest technologies with examples highlighting the latest processor designs, benchmarking standards, languages and tools. As with previous editions, a MIPS processor is the core used to present the fundamentals of hardware technologies, assembly language, compu

  6. 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

  7. Synthesis and Materials Design for Heteroanion Compounds

    Science.gov (United States)

    Machida, K.

    2011-02-01

    Oxynitride phosphors, SrSi2O2N2:Eu2+ were synthesized through a conventional solid state reaction between Sr2SiO4:Eu2+ precursor and Si3N4 by using NH4Cl flux, and their luminescence properties were characterized from a viewpoint of the ionic and covalent bond natures as the "heteroanion compound" containing O2- and N3- anions. The structural framework of host lattice is constructed by covalently bonded layers of SiON3 units, suggesting that the rearrangement of O2- and N3- anions effectively takes place between isolated SiO44-anions of the Sr2SiO4:Eu2+ precursor and SiN4 units of the Si3N4 raw material. Furthermore, the layered structure consisting of (Si2O2N2)n2n- polyanions as tightly connected by Si-N-Si covalent bonds depresses the lattice vibration of Sr(Eu)-O or Si-O bond, so that the temperature quenching effect is lowered to give the intense emission for LED-based illumination lamps.

  8. Synthesis and Materials Design for Heteroanion Compounds

    International Nuclear Information System (INIS)

    Machida, K

    2011-01-01

    Oxynitride phosphors, SrSi 2 O 2 N 2 :Eu 2+ were synthesized through a conventional solid state reaction between Sr 2 SiO 4 :Eu 2+ precursor and Si 3 N 4 by using NH 4 Cl flux, and their luminescence properties were characterized from a viewpoint of the ionic and covalent bond natures as the 'heteroanion compound' containing O 2- and N 3- anions. The structural framework of host lattice is constructed by covalently bonded layers of SiON 3 units, suggesting that the rearrangement of O 2- and N 3- anions effectively takes place between isolated SiO4 4- anions of the Sr 2 SiO 4 :Eu 2+ precursor and SiN 4 units of the Si 3 N 4 raw material. Furthermore, the layered structure consisting of (Si 2 O 2 N 2 )n 2n- polyanions as tightly connected by Si-N-Si covalent bonds depresses the lattice vibration of Sr(Eu)-O or Si-O bond, so that the temperature quenching effect is lowered to give the intense emission for LED-based illumination lamps.

  9. Material mediation and embodied actions in collaborative design process

    Directory of Open Access Journals (Sweden)

    Henna Lahti

    2016-02-01

    Full Text Available Material and embodied practices are an intrinsic part of craft and design education. This article reports a study in which textile teacher-students designed three-dimensional toys based on children’s drawings. Three students in each team worked on the given materials and designed the shape of the toy together. Materials for designing were either: 1 pen and paper, 2 masking tape and thin cardboard, or 3 wire and non-woven interfacing fabric. After the modelling phase, the final toys were created by sewing. Research data consisted of the video recordings of three design sessions representing the various design materials given to the students. By conducting multiple levels of analysis, we examined how the participants used materials and gestures to support their communication. The results highlight the strengths of 3D modelling techniques, particularly through comparison with the drawing technique undertaken by one design team. We found that simple material tools support students’ design process and suggest this could be applied to other design settings.

  10. 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.

  11. Computer Aided Design System for Developing Musical Fountain Programs

    Institute of Scientific and Technical Information of China (English)

    刘丹; 张乃尧; 朱汉城

    2003-01-01

    A computer aided design system for developing musical fountain programs was developed with multiple functions such as intelligent design, 3-D animation, manual modification and synchronized motion to make the development process more efficient. The system first analyzed the music form and sentiment using many basic features of the music to select a basic fountain program. Then, this program is simulated with 3-D animation and modified manually to achieve the desired results. Finally, the program is transformed to a computer control program to control the musical fountain in time with the music. A prototype system for the musical fountain was also developed. It was tested with many styles of music and users were quite satisfied with its performance. By integrating various functions, the proposed computer aided design system for developing musical fountain programs greatly simplified the design of the musical fountain programs.

  12. Intelligent computer systems in engineering design principles and applications

    CERN Document Server

    Sunnersjo, Staffan

    2016-01-01

    This introductory book discusses how to plan and build useful, reliable, maintainable and cost efficient computer systems for automated engineering design. The book takes a user perspective and seeks to bridge the gap between texts on principles of computer science and the user manuals for commercial design automation software. The approach taken is top-down, following the path from definition of the design task and clarification of the relevant design knowledge to the development of an operational system well adapted for its purpose. This introductory text for the practicing engineer working in industry covers most vital aspects of planning such a system. Experiences from applications of automated design systems in practice are reviewed based on a large number of real, industrial cases. The principles behind the most popular methods in design automation are presented with sufficient rigour to give the user confidence in applying them on real industrial problems. This book is also suited for a half semester c...

  13. An overview of interactive computer graphics and its application to computer-aided engineering and design

    International Nuclear Information System (INIS)

    Van Dam, A.

    1983-01-01

    The purpose of this brief birds-eye view of interactive graphics is to list the key ideas, and to show how one of the most important application areas, Computer Aided Engineering/Design takes advantage of it. (orig.)

  14. Cultivating Design Thinking in Students through Material Inquiry

    Science.gov (United States)

    Renard, Helene

    2014-01-01

    Design thinking is a way of understanding and engaging with the world that has received much attention in academic and business circles in recent years. This article examines a hands-on learning model as a vehicle for developing design thinking capacity in students. An overview of design thinking grounds the discussion of the material-based…

  15. Designing Educative Curriculum Materials: A Theoretically and Empirically Driven Process

    Science.gov (United States)

    Davis, Elizabeth A.; Palincsar, Annemarie Sullivan; Arias, Anna Maria; Bismack, Amber Schultz; Marulis, Loren M.; Iwashyna, Stefanie K.

    2014-01-01

    In this article, the authors argue for a design process in the development of educative curriculum materials that is theoretically and empirically driven. Using a design-based research approach, they describe their design process for incorporating educative features intended to promote teacher learning into existing, high-quality curriculum…

  16. SHIPBUILDING PRODUCTION PROCESS DESIGN METHODOLOGY USING COMPUTER SIMULATION

    OpenAIRE

    Marko Hadjina; Nikša Fafandjel; Tin Matulja

    2015-01-01

    In this research a shipbuilding production process design methodology, using computer simulation, is suggested. It is expected from suggested methodology to give better and more efficient tool for complex shipbuilding production processes design procedure. Within the first part of this research existing practice for production process design in shipbuilding was discussed, its shortcomings and problem were emphasized. In continuing, discrete event simulation modelling method, as basis of sugge...

  17. The Creativity Dimension of Instructional Materials Designed by Prospective Teachers: The Comparison across Domains

    Directory of Open Access Journals (Sweden)

    Ersoy Esen

    2017-01-01

    Full Text Available This study aims at revealing the creativity dimension of the materials designed and developed by the second year students studying at the department of Computer Education and Instructional Technology. A part of the participants has completed the process by designing materials in their own field, information technologies; while some of them have done so by designing materials in the field of mathematics. The data have been retrieved from an experimental study of 13 weeks. “Teaching Material Creativity Rubric” developed by the researchers, has been used as the data collection tool. The rubric has been developed in order to evaluate the creativity dimensions of products. While developing the rubric, the creative product evaluation dimensions of [14] have been a source of inspiration. The products developed by the students have been evaluated through the retrieved data, in terms of their creativity. The rubric developed includes Originality, Practicality & Sensibility, Productivity & Flexibility, Feasibility, Inclusiveness, and Insightfulness dimensions. In this research, the data of the aforementioned dimensions and sub-dimensions have been evaluated. The results present that the creativity level of the products on teaching information technologies, which have been developed by Computer Education and Instructional Technology (CEIT students, is high. It has been argued that the creativity of domain-specifically developed materials is higher, through literature. Keywords: Material Design in Computers, Mathematics Teaching, Originality, Applicability, Creativity, Creativity and Domainswords.

  18. The Evolution of Computer Based Learning Software Design: Computer Assisted Teaching Unit Experience.

    Science.gov (United States)

    Blandford, A. E.; Smith, P. R.

    1986-01-01

    Describes the style of design of computer simulations developed by Computer Assisted Teaching Unit at Queen Mary College with reference to user interface, input and initialization, input data vetting, effective display screen use, graphical results presentation, and need for hard copy. Procedures and problems relating to academic involvement are…

  19. 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.

  20. A database to enable discovery and design of piezoelectric materials

    Science.gov (United States)

    de Jong, Maarten; Chen, Wei; Geerlings, Henry; Asta, Mark; Persson, Kristin Aslaug

    2015-01-01

    Piezoelectric materials are used in numerous applications requiring a coupling between electrical fields and mechanical strain. Despite the technological importance of this class of materials, for only a small fraction of all inorganic compounds which display compatible crystallographic symmetry, has piezoelectricity been characterized experimentally or computationally. In this work we employ first-principles calculations based on density functional perturbation theory to compute the piezoelectric tensors for nearly a thousand compounds, thereby increasing the available data for this property by more than an order of magnitude. The results are compared to select experimental data to establish the accuracy of the calculated properties. The details of the calculations are also presented, along with a description of the format of the database developed to make these computational results publicly available. In addition, the ways in which the database can be accessed and applied in materials development efforts are described. PMID:26451252

  1. A database to enable discovery and design of piezoelectric materials.

    Science.gov (United States)

    de Jong, Maarten; Chen, Wei; Geerlings, Henry; Asta, Mark; Persson, Kristin Aslaug

    2015-01-01

    Piezoelectric materials are used in numerous applications requiring a coupling between electrical fields and mechanical strain. Despite the technological importance of this class of materials, for only a small fraction of all inorganic compounds which display compatible crystallographic symmetry, has piezoelectricity been characterized experimentally or computationally. In this work we employ first-principles calculations based on density functional perturbation theory to compute the piezoelectric tensors for nearly a thousand compounds, thereby increasing the available data for this property by more than an order of magnitude. The results are compared to select experimental data to establish the accuracy of the calculated properties. The details of the calculations are also presented, along with a description of the format of the database developed to make these computational results publicly available. In addition, the ways in which the database can be accessed and applied in materials development efforts are described.

  2. Design of advanced materials for linear and nonlinear dynamics

    DEFF Research Database (Denmark)

    Frandsen, Niels Morten Marslev

    to reveal the fundamental dynamic characteristics and thus the relevant design parameters.The thesis is built around the characterization of two one-dimensional, periodic material systems. The first is a nonlinear mass-spring chain with periodically varying material properties, representing a simple......The primary catalyst of this PhD project has been an ambition to design advanced materials and structural systems including, and possibly even exploiting, nonlinear phenomena such as nonlinear modal interaction leading to energy conversion between modes. An important prerequisite for efficient...... but general model of inhomogeneous structural materials with nonlinear material characteristics. The second material system is an “engineered” material in the sense that a classical structural element, a linear elastic and homogeneous rod, is “enhanced” by applying a mechanism on its surface, amplifying...

  3. Photovoltaic module encapsulation design and materials selection, volume 1

    Science.gov (United States)

    Cuddihy, E.; Carroll, W.; Coulbert, C.; Gupta, A.; Liang, R. H.

    1982-01-01

    Encapsulation material system requirements, material selection criteria, and the status and properties of encapsulation materials and processes available are presented. Technical and economic goals established for photovoltaic modules and encapsulation systems and their status are described. Available encapsulation technology and data are presented to facilitate design and material selection for silicon flat plate photovoltaic modules, using the best materials available and processes optimized for specific power applications and geographic sites. The operational and environmental loads that encapsulation system functional requirements and candidate design concepts and materials that are identified to have the best potential to meet the cost and performance goals for the flat plate solar array project are described. Available data on encapsulant material properties, fabrication processing, and module life and durability characteristics are presented.

  4. Computational composites

    DEFF Research Database (Denmark)

    Vallgårda, Anna K. A.; Redström, Johan

    2007-01-01

    Computational composite is introduced as a new type of composite material. Arguing that this is not just a metaphorical maneuver, we provide an analysis of computational technology as material in design, which shows how computers share important characteristics with other materials used in design...... and architecture. We argue that the notion of computational composites provides a precise understanding of the computer as material, and of how computations need to be combined with other materials to come to expression as material. Besides working as an analysis of computers from a designer’s point of view......, the notion of computational composites may also provide a link for computer science and human-computer interaction to an increasingly rapid development and use of new materials in design and architecture....

  5. Inverse design of dielectric materials by topology optimization

    DEFF Research Database (Denmark)

    Otomori, M.; Andkjær, Jacob Anders; Sigmund, Ole

    2012-01-01

    The capabilities and operation of electromagnetic devices can be dramatically enhanced if artificial materials that provide certain prescribed properties can be designed and fabricated. This paper presents a systematic methodology for the design of dielectric materials with prescribed electric...... permittivity. A gradient-based topology optimization method is used to find the distribution of dielectric material for the unit cell of a periodic microstructure composed of one or two dielectric materials. The optimization problem is formulated as a problem to minimize the square of the difference between...

  6. 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.

  7. Collaborative virtual reality environments for computational science and design

    International Nuclear Information System (INIS)

    Papka, M. E.

    1998-01-01

    The authors are developing a networked, multi-user, virtual-reality-based collaborative environment coupled to one or more petaFLOPs computers, enabling the interactive simulation of 10 9 atom systems. The purpose of this work is to explore the requirements for this coupling. Through the design, development, and testing of such systems, they hope to gain knowledge that allows computational scientists to discover and analyze their results more quickly and in a more intuitive manner

  8. Architectural design for a topological cluster state quantum computer

    International Nuclear Information System (INIS)

    Devitt, Simon J; Munro, William J; Nemoto, Kae; Fowler, Austin G; Stephens, Ashley M; Greentree, Andrew D; Hollenberg, Lloyd C L

    2009-01-01

    The development of a large scale quantum computer is a highly sought after goal of fundamental research and consequently a highly non-trivial problem. Scalability in quantum information processing is not just a problem of qubit manufacturing and control but it crucially depends on the ability to adapt advanced techniques in quantum information theory, such as error correction, to the experimental restrictions of assembling qubit arrays into the millions. In this paper, we introduce a feasible architectural design for large scale quantum computation in optical systems. We combine the recent developments in topological cluster state computation with the photonic module, a simple chip-based device that can be used as a fundamental building block for a large-scale computer. The integration of the topological cluster model with this comparatively simple operational element addresses many significant issues in scalable computing and leads to a promising modular architecture with complete integration of active error correction, exhibiting high fault-tolerant thresholds.

  9. Design and applications of Computed Industrial Tomographic Imaging System (CITIS)

    International Nuclear Information System (INIS)

    Ramakrishna, G.S.; Umesh Kumar; Datta, S.S.; Rao, S.M.

    1996-01-01

    Computed tomographic imaging is an advanced technique for nondestructive testing (NDT) and examination. For the first time in India a computed aided tomography system has been indigenously developed in BARC for testing industrial components and was successfully demonstrated. The system in addition to Computed Tomography (CT) can also perform Digital Radiography (DR) to serve as a powerful tool for NDT applications. It has wider applications in the fields of nuclear, space and allied fields. The authors have developed a computed industrial tomographic imaging system with Cesium 137 gamma radiation source for nondestructive examination of engineering and industrial specimens. This presentation highlights the design and development of a prototype system and its software for image reconstruction, simulation and display. The paper also describes results obtained with several tests specimens, current development and possibility of using neutrons as well as high energy x-rays in computed tomography. (author)

  10. Accident sequence analysis of human-computer interface design

    International Nuclear Information System (INIS)

    Fan, C.-F.; Chen, W.-H.

    2000-01-01

    It is important to predict potential accident sequences of human-computer interaction in a safety-critical computing system so that vulnerable points can be disclosed and removed. We address this issue by proposing a Multi-Context human-computer interaction Model along with its analysis techniques, an Augmented Fault Tree Analysis, and a Concurrent Event Tree Analysis. The proposed augmented fault tree can identify the potential weak points in software design that may induce unintended software functions or erroneous human procedures. The concurrent event tree can enumerate possible accident sequences due to these weak points

  11. The Architectural Designs of a Nanoscale Computing Model

    Directory of Open Access Journals (Sweden)

    Mary M. Eshaghian-Wilner

    2004-08-01

    Full Text Available A generic nanoscale computing model is presented in this paper. The model consists of a collection of fully interconnected nanoscale computing modules, where each module is a cube of cells made out of quantum dots, spins, or molecules. The cells dynamically switch between two states by quantum interactions among their neighbors in all three dimensions. This paper includes a brief introduction to the field of nanotechnology from a computing point of view and presents a set of preliminary architectural designs for fabricating the nanoscale model studied.

  12. Evaluation of materials and design modifications for aircraft brakes

    Science.gov (United States)

    Ho, T. L.; Kennedy, F. E.; Peterson, M. B.

    1975-01-01

    A test program is described which was carried out to evaluate several proposed design modifications and several high-temperature friction materials for use in aircraft disk brakes. The evaluation program was carried out on a specially built test apparatus utilizing a disk brake and wheel half from a small het aircraft. The apparatus enabled control of brake pressure, velocity, and braking time. Tests were run under both constant and variable velocity conditions and covered a kinetic energy range similar to that encountered in aircraft brake service. The results of the design evaluation program showed that some improvement in brake performance can be realized by making design changes in the components of the brake containing friction material. The materials evaluation showed that two friction materials show potential for use in aircraft disk brakes. One of the materials is a nickel-based sintered composite, while the other is a molybdenum-based material. Both materials show much lower wear rates than conventional copper-based materials and are better able to withstand the high temperatures encountered during braking. Additional materials improvement is necessary since both materials show a significant negative slope of the friction-velocity curve at low velocities.

  13. Materials Process Design Branch. Work Unit Directive (WUD) 54

    National Research Council Canada - National Science Library

    LeClair, Steve

    2002-01-01

    The objectives of the Manufacturing Research WUD 54 are to 1) conduct in-house research to develop advanced materials process design/control technologies to enable more repeatable and affordable manufacturing capabilities and 2...

  14. Performance evaluation of seal coat materials and designs.

    Science.gov (United States)

    2011-01-01

    "This project presents an evaluation of seal coat materials and design method. The primary objectives of this research are 1) to evaluate seal coat performance : from various combinations of aggregates and emulsions in terms of aggregate loss; 2) to ...

  15. Candidate container materials for Yucca Mountain waste package designs

    International Nuclear Information System (INIS)

    McCright, R.D.; Halsey, W.G.; Gdowski, G.E.; Clarke, W.L.

    1991-09-01

    Materials considered as candidates for fabricating nuclear waste containers are reviewed in the context of the Conceptual Design phase of a potential repository located at Yucca Mountain. A selection criteria has been written for evaluation of candidate materials for the next phase -- Advanced Conceptual Design. The selection criteria is based on the conceptual design of a thin-walled container fabricated from a single metal or alloy; the criteria consider the performance requirements on the container and the service environment in which the containers will be emplaced. A long list of candidate materials is evaluated against the criteria, and a short list of materials is proposed for advanced characterization in the next design phase

  16. High-End Computing Challenges in Aerospace Design and Engineering

    Science.gov (United States)

    Bailey, F. Ronald

    2004-01-01

    High-End Computing (HEC) has had significant impact on aerospace design and engineering and is poised to make even more in the future. In this paper we describe four aerospace design and engineering challenges: Digital Flight, Launch Simulation, Rocket Fuel System and Digital Astronaut. The paper discusses modeling capabilities needed for each challenge and presents projections of future near and far-term HEC computing requirements. NASA's HEC Project Columbia is described and programming strategies presented that are necessary to achieve high real performance.

  17. Using learning materials for design-based interventions

    DEFF Research Database (Denmark)

    Gissel, Stig Toke

    2015-01-01

    This article considers a methodological issue concerning the use of learning materials for interventions in design-based research. When the researcher uses existing or creates new didacticised learning materials for research purposes and tests their applicability in authentic contexts, many...... variables are in play. When using or designing a learning material a lot of choices have to be made and effects are difficult to isolate. The advantage of using learning materials for interventions is that results could have high ecological validity. In the article this methodological issue is exemplified...... through a research project using and developing digital learning materials for developing literacy in the early grades. One of many important choices to be made in elaborating this learning material concerns which texts should be used for supporting students’ literacy development in the lower grades...

  18. Designing with Matter: From Programmable Materials to Processual Things

    Directory of Open Access Journals (Sweden)

    Agustina Andreoletti

    2016-11-01

    Full Text Available This paper explores the potential of active matter, from a practical exploration of the concept to a theoretical discussion based on the material findings. It begins by addressing the ideas of materiality and material performance through the project “Chrysalis Gemini” and then provides an overview of the notion of programmability.To this end, we move to the description and analysis of programming, focusing on its relationship with hardware, software and material. In particular, we address the idea of programmable matter, and we introduce the term processuality. We consider the importance of adaptability, analysing the experience of humans, their interaction with the environment, with artefacts and with material within a design context.In this manner this study seeks to highlight how contextualisation and interconnected processes become relevant as a design argument. This is achieved by presenting the relational potential of processual material and things and their ongoing transformation. 

  19. Computer-Aided Chemical Product Design Framework: Design of High Performance and Environmentally Friendly Refrigerants

    DEFF Research Database (Denmark)

    Cignitti, Stefano; Zhang, Lei; Gani, Rafiqul

    properties and needs should carefully be selected for a given heat pump cycle to ensure that an optimum refrigerant is found? How can cycle performance and environmental criteria be integrated at the product design stage and not in post-design analysis? Computer-aided product design methods enable...... the possibility of designing novel molecules, mixtures and blends, such as refrigerants through a systematic framework (Cignitti et al., 2015; Yunus et al., 2014). In this presentation a computer-aided framework is presented for chemical product design through mathematical optimization. Here, molecules, mixtures...... and blends, are systematically designed through a decomposition based solution method. Given a problem definition, computer-aided molecular design (CAMD) problem is defined, which is formulated into a mixed integer nonlinear program (MINLP). The decomposed solution method then sequentially divides the MINLP...

  20. The socio-materiality of designing organizational change

    DEFF Research Database (Denmark)

    Stang Våland, Marianne; Georg, Susse

    2014-01-01

    Purpose – The purpose of this paper is to examine the managerial implications of adopting a design attitude to organizational change. Design/methodology/approach – Based on an ethnographic study of a merger, the paper investigates the intricate interplay between architectural design...... and organizational change in the context of physically relocating an organization to a new office building. Emphasis is given to the socio-materiality of this double design process. Findings – The data suggests that taking a design attitude toward managing organizational change can allow different actors...... to participate in organizational design processes, releasing management from its traditional role as the keeper of the design solution. Research limitations/implications – Although based on a single case, the paper provides insights into the socio-materiality of organizational change that is relevant in other...

  1. DESIGNING ENGLISH LEARNING MATERIALS TO FOSTER CHILDREN‟S CREATIVITY

    Directory of Open Access Journals (Sweden)

    C. Murni Wahyanti

    2017-04-01

    Full Text Available Learning materials form an important part of English teaching-learning processes in Elementary schools. In many cases, teachers and students rely on the learning materials available and the materials dictate teachers‘ strategies. Despite the availability of commercially produced materials, it is considered necessary for teachers to construct or adapt learning materials. Teachers know better about their students‘ ability, needs and interests. In addition, the materials can be more contextual. Good materials should foster children‘s creative thinking since creativity is one of the important skills children need to develop. Features of creativity involve using imagination, generating ideas and questions, experimenting with alternatives, being original and making judgment. This presentation will focus on how to develop learning materials that can foster children‘s creativity. It will discuss about why teachers need to design their own materials, principles for designing effective English learning materials, the concepts and components of creativity and the importance of creativity in language learning. Examples of how to apply features of creativity in the English learning materials for children will be provided.

  2. Implications of material selection on the design of packaging machinery.

    Science.gov (United States)

    Merritt, J P

    2009-01-01

    Material selection has significant implications on the design and cost of horizontal-form-fill-seal packaging machinery. To avoid excessive costs, machine redesigns and project delays, material selection must be reconciled early in the project and revisited throughout the construction of the machine.

  3. Revolutionising catenary design: the use of new materials

    NARCIS (Netherlands)

    Smulders, H.W.M.; Wouters, P.A.A.F.; Minkman, J.A.; Waes, van J.B.M.

    2011-01-01

    Traditionally materials used for catenary support structures are steel, concrete or even wood, in combination with the use of insulators. The development of new materials such as Fibre Reinforced Plastics (FRP) makes a new revolutionary design possible. The use of FRP is expanding rapidly at the

  4. Material and design considerations of FBGA reliability performance

    International Nuclear Information System (INIS)

    Lee, Teck Kheng; Ng, T.C.; Chai, Y.M.

    2004-01-01

    FBGA package reliability is usually assessed through the conventional approaches of die attach and mold compound material optimization. However, with the rapid changes and fast-moving pace of electronic packaging and the introduction of new soldermask and core materials, substrate design has also become a critical factor in determining overall package reliability. The purpose of this paper is to understand the impact design and soldermask material of a rigid substrate on overall package reliability. Three different soldermask patterns with a matrix of different die attach, mold compound, and soldermask materials are assessed using the moisture sensitivity test (MST). Package reliability is also assessed through the use of temperature cycling (T/C) at conditions 'B' and 'C'. For material optimization, three different mold compounds and die attach materials are used. Material adhesion between different die attach materials and soldermask materials are obtained through die shear performed at various temperatures and preset moisture conditions. A study correlating the different packaging material properties and their relative adhesion strengths with overall package reliability in terms of both MST and T/C performance was performed. Soldermask design under the die pads was found to affect package reliability. For example, locating vias at the edge of the die is not desirable because the vias acts as initiation point for delamination and moisture-induced failure. Through die shear testing, soldermask B demonstrated higher adhesion properties compared to soldermask A across several packaging materials and enhanced the overall package reliability in terms of both MST and T/C performance. Both MST JEDEC level 1 and the T/C of 'B' and 'C' at 1000 cycles have been achieved through design and package material optimization

  5. Material and design considerations of FBGA reliability performance

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Teck Kheng; Ng, T.C.; Chai, Y.M

    2004-09-01

    FBGA package reliability is usually assessed through the conventional approaches of die attach and mold compound material optimization. However, with the rapid changes and fast-moving pace of electronic packaging and the introduction of new soldermask and core materials, substrate design has also become a critical factor in determining overall package reliability. The purpose of this paper is to understand the impact design and soldermask material of a rigid substrate on overall package reliability. Three different soldermask patterns with a matrix of different die attach, mold compound, and soldermask materials are assessed using the moisture sensitivity test (MST). Package reliability is also assessed through the use of temperature cycling (T/C) at conditions 'B' and 'C'. For material optimization, three different mold compounds and die attach materials are used. Material adhesion between different die attach materials and soldermask materials are obtained through die shear performed at various temperatures and preset moisture conditions. A study correlating the different packaging material properties and their relative adhesion strengths with overall package reliability in terms of both MST and T/C performance was performed. Soldermask design under the die pads was found to affect package reliability. For example, locating vias at the edge of the die is not desirable because the vias acts as initiation point for delamination and moisture-induced failure. Through die shear testing, soldermask B demonstrated higher adhesion properties compared to soldermask A across several packaging materials and enhanced the overall package reliability in terms of both MST and T/C performance. Both MST JEDEC level 1 and the T/C of 'B' and 'C' at 1000 cycles have been achieved through design and package material optimization.

  6. Advances in wind turbine blade design and materials

    DEFF Research Database (Denmark)

    Wind energy is gaining critical ground in the area of renewable energy, with wind energy being predicted to provide up to 8% of the world’s consumption of electricity by 2021. Advances in wind turbine blade design and materials reviews the design and functionality of wind turbine rotor blades...... as well as the requirements and challenges for composite materials used in both current and future designs of wind turbine blades. Part one outlines the challenges and developments in wind turbine blade design, including aerodynamic and aeroelastic design features, fatigue loads on wind turbine blades......, and characteristics of wind turbine blade airfoils. Part two discusses the fatigue behavior of composite wind turbine blades, including the micromechanical modelling and fatigue life prediction of wind turbine blade composite materials, and the effects of resin and reinforcement variations on the fatigue resistance...

  7. Computer aided hydraulic design of axial flow pump impeller

    International Nuclear Information System (INIS)

    Sreedhar, B.K.; Rao, A.S.L.K.; Kumaraswamy, S.

    1994-01-01

    Pumps are the heart of any power plant and hence their design requires great attention. Computers with their potential for rapid computation can be successfully employed in the design and manufacture of these machines. The paper discusses a program developed for the hydraulic design of axial flow pump impeller. The program, written in FORTRAN 77, is interactive and performs the functions of design calculation, drafting and generation of numerical data for blade manufacture. The drafting function, which makes use of the software ACAD, is carried out automatically by means of suitable interface programs. In addition data for blade manufacture is also generated in either the x-y-z or r-θ-z system. (author). 4 refs., 3 figs

  8. Lowering the threshold for computers in early design : some advances in architectural design

    NARCIS (Netherlands)

    Achten, H.H.

    2004-01-01

    The design drawing is an important medium for establishing design support by means of computers. Architects intensively use graphic representations to communicate their design ideas personally, between professionals, and others. In this study, we consider line drawings such as sketches or drawings.

  9. Spaceborne computer executive routine functional design specification. Volume 2: Computer executive design for space station/base

    Science.gov (United States)

    Kennedy, J. R.; Fitzpatrick, W. S.

    1971-01-01

    The computer executive functional system design concepts derived from study of the Space Station/Base are presented. Information Management System hardware configuration as directly influencing the executive design is reviewed. The hardware configuration and generic executive design requirements are considered in detail in a previous report (System Configuration and Executive Requirements Specifications for Reusable Shuttle and Space Station/Base, 9/25/70). This report defines basic system primitives and delineates processes and process control. Supervisor states are considered for describing basic multiprogramming and multiprocessing systems. A high-level computer executive including control of scheduling, allocation of resources, system interactions, and real-time supervisory functions is defined. The description is oriented to provide a baseline for a functional simulation of the computer executive system.

  10. Computer-Aided Test Flow in Core-Based Design

    OpenAIRE

    Zivkovic, V.; Tangelder, R.J.W.T.; Kerkhoff, Hans G.

    2000-01-01

    This paper copes with the test-pattern generation and fault coverage determination in the core based design. The basic core-test strategy that one has to apply in the core-based design is stated in this work. A Computer-Aided Test (CAT) flow is proposed resulting in accurate fault coverage of embedded cores. The CAT now is applied to a few cores within the Philips Core Test Pilot IC project

  11. Computer-aided drug design at Boehringer Ingelheim

    Science.gov (United States)

    Muegge, Ingo; Bergner, Andreas; Kriegl, Jan M.

    2017-03-01

    Computer-Aided Drug Design (CADD) is an integral part of the drug discovery endeavor at Boehringer Ingelheim (BI). CADD contributes to the evaluation of new therapeutic concepts, identifies small molecule starting points for drug discovery, and develops strategies for optimizing hit and lead compounds. The CADD scientists at BI benefit from the global use and development of both software platforms and computational services. A number of computational techniques developed in-house have significantly changed the way early drug discovery is carried out at BI. In particular, virtual screening in vast chemical spaces, which can be accessed by combinatorial chemistry, has added a new option for the identification of hits in many projects. Recently, a new framework has been implemented allowing fast, interactive predictions of relevant on and off target endpoints and other optimization parameters. In addition to the introduction of this new framework at BI, CADD has been focusing on the enablement of medicinal chemists to independently perform an increasing amount of molecular modeling and design work. This is made possible through the deployment of MOE as a global modeling platform, allowing computational and medicinal chemists to freely share ideas and modeling results. Furthermore, a central communication layer called the computational chemistry framework provides broad access to predictive models and other computational services.

  12. Critical plasma-materials issues for fusion reactor designs

    International Nuclear Information System (INIS)

    Wilson, K.L.; Bauer, W.

    1983-01-01

    Plasma-materials interactions are a dominant driving force in the design of fusion power reactors. This paper presents a summary of plasma-materials interactions research. Emphasis is placed on critical aspects related to reactor design. Particular issues to be addressed are plasma edge characterization, hydrogen recycle, impurity introduction, and coating development. Typical wall fluxes in operating magnetically confined devices are summarized. Recent calculations of tritium inventory and first wall permeation, based on laboratory measurements of hydrogen recycling, are given for various reactor operating scenarios. Impurity introduction/wall erosion mechanisms considered include sputtering, chemical erosion, and evaporation (melting). Finally, the advanced material development for in-vessel components is discussed. (author)

  13. Recent advances in the reconstruction of cranio-maxillofacial defects using computer-aided design/computer-aided manufacturing.

    Science.gov (United States)

    Oh, Ji-Hyeon

    2018-12-01

    With the development of computer-aided design/computer-aided manufacturing (CAD/CAM) technology, it has been possible to reconstruct the cranio-maxillofacial defect with more accurate preoperative planning, precise patient-specific implants (PSIs), and shorter operation times. The manufacturing processes include subtractive manufacturing and additive manufacturing and should be selected in consideration of the material type, available technology, post-processing, accuracy, lead time, properties, and surface quality. Materials such as titanium, polyethylene, polyetheretherketone (PEEK), hydroxyapatite (HA), poly-DL-lactic acid (PDLLA), polylactide-co-glycolide acid (PLGA), and calcium phosphate are used. Design methods for the reconstruction of cranio-maxillofacial defects include the use of a pre-operative model printed with pre-operative data, printing a cutting guide or template after virtual surgery, a model after virtual surgery printed with reconstructed data using a mirror image, and manufacturing PSIs by directly obtaining PSI data after reconstruction using a mirror image. By selecting the appropriate design method, manufacturing process, and implant material according to the case, it is possible to obtain a more accurate surgical procedure, reduced operation time, the prevention of various complications that can occur using the traditional method, and predictive results compared to the traditional method.

  14. Probabilistic Fatigue Design of Composite Material for Wind Turbine Blades

    DEFF Research Database (Denmark)

    Toft, Henrik Stensgaard; Sørensen, John Dalsgaard

    2011-01-01

    In the present paper a probabilistic design approach to fatigue design of wind turbine blades is presented. The physical uncertainty on the fatigue strength for composite material is estimated using public available fatigue tests. Further, the model uncertainty on Miner rule for damage accumulation...

  15. Materials data base as an interface between fusion reactor designs and materials development

    International Nuclear Information System (INIS)

    Ishino, S.; Iwata, S.

    1983-01-01

    The materials data base is an integrated information system of experimental and/or calculated data of materials being compiled to meet the broad needs for materials data by taking advantage of the data base management systems. In this paper the objective of such computerized data base is described from the viewpoint of materials engineers and fusion system designers. Materials data spread themselves widely from the field that relates fundamental understanding of the behaviors of electrons, atoms, vacancies, dislocations and so on to the performance of components, devices, machines and systems. In our approach this information is described as ''relations'' by a set of tables which comprise related variables, for example, a set of values about essential properties for materials selection. This approach based on the relational model enables relational operations, i.e. SELECTION, PROJECTION, JOIN and so on, to select suitable materials, to set trade-off parameters for system designers and to establish design criteria. Stored data comprise (i) fundamental properties for all elements and potential structural materials, (ii) low cycle fatigue, irradiation creep and swelling data for type 316 stainless steels. These data have been selected and evaluated from critical reviews of existing data base of about 2 mega bytes data, some examples of materials selections and extraction of trade-off parameters are shown as a subject of critical issue concerning how to bridge the large gap between materials developments and system designs. (author)

  16. Numerical methods design, analysis, and computer implementation of algorithms

    CERN Document Server

    Greenbaum, Anne

    2012-01-01

    Numerical Methods provides a clear and concise exploration of standard numerical analysis topics, as well as nontraditional ones, including mathematical modeling, Monte Carlo methods, Markov chains, and fractals. Filled with appealing examples that will motivate students, the textbook considers modern application areas, such as information retrieval and animation, and classical topics from physics and engineering. Exercises use MATLAB and promote understanding of computational results. The book gives instructors the flexibility to emphasize different aspects--design, analysis, or computer implementation--of numerical algorithms, depending on the background and interests of students. Designed for upper-division undergraduates in mathematics or computer science classes, the textbook assumes that students have prior knowledge of linear algebra and calculus, although these topics are reviewed in the text. Short discussions of the history of numerical methods are interspersed throughout the chapters. The book a...

  17. Design for scalability in 3D computer graphics architectures

    DEFF Research Database (Denmark)

    Holten-Lund, Hans Erik

    2002-01-01

    This thesis describes useful methods and techniques for designing scalable hybrid parallel rendering architectures for 3D computer graphics. Various techniques for utilizing parallelism in a pipelines system are analyzed. During the Ph.D study a prototype 3D graphics architecture named Hybris has...

  18. Computer methods in designing tourist equipment for people with disabilities

    Science.gov (United States)

    Zuzda, Jolanta GraŻyna; Borkowski, Piotr; Popławska, Justyna; Latosiewicz, Robert; Moska, Eleonora

    2017-11-01

    Modern technologies enable disabled people to enjoy physical activity every day. Many new structures are matched individually and created for people who fancy active tourism, giving them wider opportunities for active pastime. The process of creating this type of devices in every stage, from initial design through assessment to validation, is assisted by various types of computer support software.

  19. On Computational Fluid Dynamics Tools in Architectural Design

    DEFF Research Database (Denmark)

    Kirkegaard, Poul Henning; Hougaard, Mads; Stærdahl, Jesper Winther

    engineering computational fluid dynamics (CFD) simulation program ANSYS CFX and a CFD based representative program RealFlow are investigated. These two programs represent two types of CFD based tools available for use during phases of an architectural design process. However, as outlined in two case studies...

  20. SIAM Conference on Geometric Design and Computing. Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-03-11

    The SIAM Conference on Geometric Design and Computing attracted 164 domestic and international researchers, from academia, industry, and government. It provided a stimulating forum in which to learn about the latest developments, to discuss exciting new research directions, and to forge stronger ties between theory and applications. Final Report

  1. Computational approaches in the design of synthetic receptors - A review.

    Science.gov (United States)

    Cowen, Todd; Karim, Kal; Piletsky, Sergey

    2016-09-14

    The rational design of molecularly imprinted polymers (MIPs) has been a major contributor to their reputation as "plastic antibodies" - high affinity robust synthetic receptors which can be optimally designed, and produced for a much reduced cost than their biological equivalents. Computational design has become a routine procedure in the production of MIPs, and has led to major advances in functional monomer screening, selection of cross-linker and solvent, optimisation of monomer(s)-template ratio and selectivity analysis. In this review the various computational methods will be discussed with reference to all the published relevant literature since the end of 2013, with each article described by the target molecule, the computational approach applied (whether molecular mechanics/molecular dynamics, semi-empirical quantum mechanics, ab initio quantum mechanics (Hartree-Fock, Møller-Plesset, etc.) or DFT) and the purpose for which they were used. Detailed analysis is given to novel techniques including analysis of polymer binding sites, the use of novel screening programs and simulations of MIP polymerisation reaction. The further advances in molecular modelling and computational design of synthetic receptors in particular will have serious impact on the future of nanotechnology and biotechnology, permitting the further translation of MIPs into the realms of analytics and medical technology. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Designing Pervasive Computing Technology - In a Nomadic Work Perspective

    DEFF Research Database (Denmark)

    Kristensen, Jannie Friis

    2002-01-01

    In my thesis work I am investigating how the design of pervasive/ubiquitous computing technology, relate to the flexible and individual work practice of nomadic workers. Through empirical studies and with an experimental systems development approach, the work is focused on: a) Supporting...

  3. The ZAP Project: Designing Interactive Computer Tools for Learning Psychology

    Science.gov (United States)

    Hulshof, Casper; Eysink, Tessa; de Jong, Ton

    2006-01-01

    In the ZAP project, a set of interactive computer programs called "ZAPs" was developed. The programs were designed in such a way that first-year students experience psychological phenomena in a vivid and self-explanatory way. Students can either take the role of participant in a psychological experiment, they can experience phenomena themselves,…

  4. GRAPHIC, time-sharing magnet design computer programs at Argonne

    International Nuclear Information System (INIS)

    Lari, R.J.

    1974-01-01

    This paper describes three magnet design computer programs in use at the Zero Gradient Synchrotron of Argonne National Laboratory. These programs are used in the time sharing mode in conjunction with a Tektronix model 4012 graphic display terminal. The first program in called TRIM, the second MAGNET, and the third GFUN. (U.S.)

  5. Computer-Aided Test Flow in Core-Based Design

    NARCIS (Netherlands)

    Zivkovic, V.; Tangelder, R.J.W.T.; Kerkhoff, Hans G.

    2000-01-01

    This paper copes with the efficient test-pattern generation in a core-based design. A consistent Computer-Aided Test (CAT) flow is proposed based on the required core-test strategy. It generates a test-pattern set for the embedded cores with high fault coverage and low DfT area overhead. The CAT

  6. Designing English for Specific Purposes Course for Computer Science Students

    Science.gov (United States)

    Irshad, Isra; Anwar, Behzad

    2018-01-01

    The aim of this study was to design English for Academic Purposes (EAP) course for University students enrolled in the Computer Science Department. For this purpose, academic English language needs of the students were analyzed by using a 5 point Likert scale questionnaire. Additionally, interviews were also conducted with four faculty members of…

  7. Conceptual design of pipe whip restraints using interactive computer analysis

    International Nuclear Information System (INIS)

    Rigamonti, G.; Dainora, J.

    1975-01-01

    Protection against pipe break effects necessitates a complex interaction between failure mode analysis, piping layout, and structural design. Many iterations are required to finalize structural designs and equipment arrangements. The magnitude of the pipe break loads transmitted by the pipe whip restraints to structural embedments precludes the application of conservative design margins. A simplified analytical formulation of the nonlinear dynamic problems associated with pipe whip has been developed and applied using interactive computer analysis techniques. In the dynamic analysis, the restraint and the associated portion of the piping system, are modeled using the finite element lumped mass approach to properly reflect the dynamic characteristics of the piping/restraint system. The analysis is performed as a series of piecewise linear increments. Each of these linear increments is terminated by either formation of plastic conditions or closing/opening of gaps. The stiffness matrix is modified to reflect the changed stiffness characteristics of the system and re-started using the previous boundary conditions. The formation of yield hinges are related to the plastic moment of the section and unloading paths are automatically considered. The conceptual design of the piping/restraint system is performed using interactive computer analysis. The application of the simplified analytical approach with interactive computer analysis results in an order of magnitude reduction in engineering time and computer cost. (Auth.)

  8. Nano-Scale Positioning Design with Piezoelectric Materials

    Directory of Open Access Journals (Sweden)

    Yung Yue Chen

    2017-12-01

    Full Text Available Piezoelectric materials naturally possess high potential to deliver nano-scale positioning resolution; hence, they are adopted in a variety of engineering applications widely. Unfortunately, unacceptable positioning errors always appear because of the natural hysteresis effect of the piezoelectric materials. This natural property must be mitigated in practical applications. For solving this drawback, a nonlinear positioning design is proposed in this article. This nonlinear positioning design of piezoelectric materials is realized by the following four steps: 1. The famous Bouc–Wen model is utilized to present the input and output behaviors of piezoelectric materials; 2. System parameters of the Bouc–Wen model that describe the characteristics of piezoelectric materials are simultaneously identified with the particle swam optimization method; 3. Stability verification for the identified Bouc–Wen model; 4. A nonlinear feedback linearization control design is derived for the nano-scale positioning design of the piezoelectric material, mathematically. One important contribution of this investigation is that the positioning error between the output displacement of the controlled piezoelectric materials and the desired trajectory in nano-scale level can be proven to converge to zero asymptotically, under the effect of the hysteresis.

  9. A design methodology for materials control and accounting information systems

    International Nuclear Information System (INIS)

    Helman, P.; Strittmatter, R.B.

    1987-01-01

    Modern approaches to nuclear materials safeguards have significantly increased the data processing needs of safeguards information systems. Implementing these approaches will require developing efficient, cost-effective designs. Guided by database design research, we are developing a design methodology for distributed materials control and accounting (MCandA) information systems. The methodology considers four design parameters: network topology, allocation of data to nodes, high-level global processing strategy, and local file structures to optimize system performance. Characteristics of system performance that are optimized are response time for an operation, timeliness of data, validity of data, and reliability. The ultimate goal of the research is to develop a comprehensive computerized design tool specifically tailored to the design of MCandA systems

  10. 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

  11. Computer Forensics for Graduate Accountants: A Motivational Curriculum Design Approach

    Directory of Open Access Journals (Sweden)

    Grover Kearns

    2010-06-01

    Full Text Available Computer forensics involves the investigation of digital sources to acquire evidence that can be used in a court of law. It can also be used to identify and respond to threats to hosts and systems. Accountants use computer forensics to investigate computer crime or misuse, theft of trade secrets, theft of or destruction of intellectual property, and fraud. Education of accountants to use forensic tools is a goal of the AICPA (American Institute of Certified Public Accountants. Accounting students, however, may not view information technology as vital to their career paths and need motivation to acquire forensic knowledge and skills. This paper presents a curriculum design methodology for teaching graduate accounting students computer forensics. The methodology is tested using perceptions of the students about the success of the methodology and their acquisition of forensics knowledge and skills. An important component of the pedagogical approach is the use of an annotated list of over 50 forensic web-based tools.

  12. Design requirements for ubiquitous computing environments for healthcare professionals.

    Science.gov (United States)

    Bång, Magnus; Larsson, Anders; Eriksson, Henrik

    2004-01-01

    Ubiquitous computing environments can support clinical administrative routines in new ways. The aim of such computing approaches is to enhance routine physical work, thus it is important to identify specific design requirements. We studied healthcare professionals in an emergency room and developed the computer-augmented environment NOSTOS to support teamwork in that setting. NOSTOS uses digital pens and paper-based media as the primary input interface for data capture and as a means of controlling the system. NOSTOS also includes a digital desk, walk-up displays, and sensor technology that allow the system to track documents and activities in the workplace. We propose a set of requirements and discuss the value of tangible user interfaces for healthcare personnel. Our results suggest that the key requirements are flexibility in terms of system usage and seamless integration between digital and physical components. We also discuss how ubiquitous computing approaches like NOSTOS can be beneficial in the medical workplace.

  13. A system design for the nuclear material accounting reports control based on the intra-net

    International Nuclear Information System (INIS)

    Jeon, I.; Park, S. J.; Min, K. S.

    2003-01-01

    The 34 nuclear facilities, including the nuclear power plants, were on operating in Korea and the Technology Center for Nuclear Control(TCNC) has been submit the nuclear material accounting reports to the government and IAEA. At the start point of this work, all reports were controlled via manually and at now, they were controlled based on the client/server system. The fast progress of the computer and internet communication changes the environment of computing from disk operating system to web based system using internet. So, a new system to access the safeguards information and nuclear material accounting system more convenient was needed. In this thesis, a safeguards information control system including the nuclear material accounting reports at the state level based on the web was designed. The oracle RDBMS (Relational Data Base Management System) was adopted for data base management. And all users can access this program via inter-net using their own computer

  14. Multi-material topology design of laminates with strength criteria

    DEFF Research Database (Denmark)

    Lund, Erik

    2012-01-01

    The objective of this paper is to present a novel approach for multi-material topology optimization of laminated composite structures where strength constraints are taken into account together with other global structural performance measures. The topology design problem considered contains very...... many design variables, and when strength criteria are included in the problem, a very large number of criteria functions must be considered in the optimization problem to be solved. Thus, block aggregation methods are introduced, such that global strength measures are obtained. These formulations...... are illustrated for multi-material laminated design problems where the maximum failure index is minimized while compliance and mass constraints are taken into account....

  15. Fiber-reinforced composites materials, manufacturing, and design

    CERN Document Server

    Mallick, P K

    2007-01-01

    The newly expanded and revised edition of Fiber-Reinforced Composites: Materials, Manufacturing, and Design presents the most up-to-date resource available on state-of-the-art composite materials. This book is unique in that it not only offers a current analysis of mechanics and properties, but also examines the latest advances in test methods, applications, manufacturing processes, and design aspects involving composites. This third edition presents thorough coverage of newly developed materials including nanocomposites. It also adds more emphasis on underlying theories, practical methods, and problem-solving skills employed in real-world applications of composite materials. Each chapter contains new examples drawn from diverse applications and additional problems to reinforce the practical relevance of key concepts. New in The Third Edition: Contains new sections on material substitution, cost analysis, nano- and natural fibers, fiber architecture, and carbon-carbon composites Provides a new chapter on poly...

  16. A Novel Design Framework for Structures/Materials with Enhanced Mechanical Performance

    Science.gov (United States)

    Liu, Jie; Fan, Xiaonan; Wen, Guilin; Qing, Qixiang; Wang, Hongxin; Zhao, Gang

    2018-01-01

    Structure/material requires simultaneous consideration of both its design and manufacturing processes to dramatically enhance its manufacturability, assembly and maintainability. In this work, a novel design framework for structural/material with a desired mechanical performance and compelling topological design properties achieved using origami techniques is presented. The framework comprises four procedures, including topological design, unfold, reduction manufacturing, and fold. The topological design method, i.e., the solid isotropic material penalization (SIMP) method, serves to optimize the structure in order to achieve the preferred mechanical characteristics, and the origami technique is exploited to allow the structure to be rapidly and easily fabricated. Topological design and unfold procedures can be conveniently completed in a computer; then, reduction manufacturing, i.e., cutting, is performed to remove materials from the unfolded flat plate; the final structure is obtained by folding out the plate from the previous procedure. A series of cantilevers, consisting of origami parallel creases and Miura-ori (usually regarded as a metamaterial) and made of paperboard, are designed with the least weight and the required stiffness by using the proposed framework. The findings here furnish an alternative design framework for engineering structures that could be better than the 3D-printing technique, especially for large structures made of thin metal materials. PMID:29642555

  17. A Novel Design Framework for Structures/Materials with Enhanced Mechanical Performance.

    Science.gov (United States)

    Liu, Jie; Fan, Xiaonan; Wen, Guilin; Qing, Qixiang; Wang, Hongxin; Zhao, Gang

    2018-04-09

    Abstract : Structure/material requires simultaneous consideration of both its design and manufacturing processes to dramatically enhance its manufacturability, assembly and maintainability. In this work, a novel design framework for structural/material with a desired mechanical performance and compelling topological design properties achieved using origami techniques is presented. The framework comprises four procedures, including topological design, unfold, reduction manufacturing, and fold. The topological design method, i.e., the solid isotropic material penalization (SIMP) method, serves to optimize the structure in order to achieve the preferred mechanical characteristics, and the origami technique is exploited to allow the structure to be rapidly and easily fabricated. Topological design and unfold procedures can be conveniently completed in a computer; then, reduction manufacturing, i.e., cutting, is performed to remove materials from the unfolded flat plate; the final structure is obtained by folding out the plate from the previous procedure. A series of cantilevers, consisting of origami parallel creases and Miura-ori (usually regarded as a metamaterial) and made of paperboard, are designed with the least weight and the required stiffness by using the proposed framework. The findings here furnish an alternative design framework for engineering structures that could be better than the 3D-printing technique, especially for large structures made of thin metal materials.

  18. A Novel Design Framework for Structures/Materials with Enhanced Mechanical Performance

    Directory of Open Access Journals (Sweden)

    Jie Liu

    2018-04-01

    Full Text Available Structure/material requires simultaneous consideration of both its design and manufacturing processes to dramatically enhance its manufacturability, assembly and maintainability. In this work, a novel design framework for structural/material with a desired mechanical performance and compelling topological design properties achieved using origami techniques is presented. The framework comprises four procedures, including topological design, unfold, reduction manufacturing, and fold. The topological design method, i.e., the solid isotropic material penalization (SIMP method, serves to optimize the structure in order to achieve the preferred mechanical characteristics, and the origami technique is exploited to allow the structure to be rapidly and easily fabricated. Topological design and unfold procedures can be conveniently completed in a computer; then, reduction manufacturing, i.e., cutting, is performed to remove materials from the unfolded flat plate; the final structure is obtained by folding out the plate from the previous procedure. A series of cantilevers, consisting of origami parallel creases and Miura-ori (usually regarded as a metamaterial and made of paperboard, are designed with the least weight and the required stiffness by using the proposed framework. The findings here furnish an alternative design framework for engineering structures that could be better than the 3D-printing technique, especially for large structures made of thin metal materials.

  19. A computer-aided molecular design framework for crystallization solvent design

    DEFF Research Database (Denmark)

    Karunanithi, Arunprakash T.; Achenie, Luke E.K.; Gani, Rafiqul

    2006-01-01

    One of the key decisions in designing solution crystallization processes is the selection of solvents. In this paper, we present a computer-aided molecular design (CAMD) framework for the design and selection of solvents and/or anti-solvents for solution crystallization. The CAMD problem is formu......One of the key decisions in designing solution crystallization processes is the selection of solvents. In this paper, we present a computer-aided molecular design (CAMD) framework for the design and selection of solvents and/or anti-solvents for solution crystallization. The CAMD problem...... solvent molecules. Solvent design and selection for two types of solution crystallization processes namely cooling crystallization and drowning out crystallization are presented. In the first case study, the design of single compound solvent for crystallization of ibuprofen, which is an important...

  20. 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.