Sample records for computational material design

  1. CAD/CAM (Computer Aided Design/Computer Aided Manufacture). A Brief Guide to Materials in the Library of Congress.

    ERIC Educational Resources Information Center

    Havas, George D.

    This brief guide to materials in the Library of Congress (LC) on computer aided design and/or computer aided manufacturing lists reference materials and other information sources under 13 headings: (1) brief introductions; (2) LC subject headings used for such materials; (3) textbooks; (4) additional titles; (5) glossaries and handbooks; (6)…

  2. Design Principles for Computer-Assisted Instruction in Histology Education: An Exploratory Study

    ERIC Educational Resources Information Center

    Deniz, Hasan; Cakir, Hasan

    2006-01-01

    The purpose of this paper is to describe the development process and the key components of a computer-assisted histology material. Computer-assisted histology material is designed to supplement traditional histology education in a large Midwestern university. Usability information of the computer-assisted instruction (CAI) material was obtained…

  3. Design Considerations of Help Options in Computer-Based L2 Listening Materials Informed by Participatory Design

    ERIC Educational Resources Information Center

    Cárdenas-Claros, Mónica Stella

    2015-01-01

    This paper reports on the findings of two qualitative exploratory studies that sought to investigate design features of help options in computer-based L2 listening materials. Informed by principles of participatory design, language learners, software designers, language teachers, and a computer programmer worked collaboratively in a series of…

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

    Science.gov Websites

    in computation and experimental techniques generating vast arrays of data, without a clear link to experimental and computational data, designing new materials and impacting computational models. This meeting computational and experimental data (c) Analysis of data from probes such as light sources, as well as other

  5. Materials Genome Initiative

    NASA Technical Reports Server (NTRS)

    Vickers, John

    2015-01-01

    The Materials Genome Initiative (MGI) project element is a cross-Center effort that is focused on the integration of computational tools to simulate manufacturing processes and materials behavior. These computational simulations will be utilized to gain understanding of processes and materials behavior to accelerate process development and certification to more efficiently integrate new materials in existing NASA projects and to lead to the design of new materials for improved performance. This NASA effort looks to collaborate with efforts at other government agencies and universities working under the national MGI. MGI plans to develop integrated computational/experimental/ processing methodologies for accelerating discovery and insertion of materials to satisfy NASA's unique mission demands. The challenges include validated design tools that incorporate materials properties, processes, and design requirements; and materials process control to rapidly mature emerging manufacturing methods and develop certified manufacturing processes

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

    2017-11-01

    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.

  9. High-throughput materials discovery and development: breakthroughs and challenges in the mapping of the materials genome

    NASA Astrophysics Data System (ADS)

    Buongiorno Nardelli, Marco

    High-Throughput Quantum-Mechanics computation of materials properties by ab initio methods has become the foundation of an effective approach to materials design, discovery and characterization. This data driven approach to materials science currently presents the most promising path to the development of advanced technological materials that could solve or mitigate important social and economic challenges of the 21st century. In particular, the rapid proliferation of computational data on materials properties presents the possibility to complement and extend materials property databases where the experimental data is lacking and difficult to obtain. Enhanced repositories such as AFLOWLIB open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various properties. The practical realization of these opportunities depends almost exclusively on the the design of efficient algorithms for electronic structure simulations of realistic material systems beyond the limitations of the current standard theories. In this talk, I will review recent progress in theoretical and computational tools, and in particular, discuss the development and validation of novel functionals within Density Functional Theory and of local basis representations for effective ab-initio tight-binding schemes. Marco Buongiorno Nardelli is a pioneer in the development of computational platforms for theory/data/applications integration rooted in his profound and extensive expertise in the design of electronic structure codes and in his vision for sustainable and innovative software development for high-performance materials simulations. His research activities range from the design and discovery of novel materials for 21st century applications in renewable energy, environment, nano-electronics and devices, the development of advanced electronic structure theories and high-throughput techniques in materials genomics and computational materials design, to an active role as community scientific software developer (QUANTUM ESPRESSO, WanT, AFLOWpi)

  10. Computational materials chemistry for carbon capture using porous materials

    NASA Astrophysics Data System (ADS)

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

    2017-11-01

    Control over carbon dioxide (CO2) release is extremely important to decrease its hazardous effects on the environment such as global warming, ocean acidification, etc. For CO2 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 CO2 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 CO2 capture are discussed.

  11. Computational materials design of crystalline solids.

    PubMed

    Butler, Keith T; Frost, Jarvist M; Skelton, Jonathan M; Svane, Katrine L; Walsh, Aron

    2016-11-07

    The modelling of materials properties and processes from first principles is becoming sufficiently accurate as to facilitate the design and testing of new systems in silico. Computational materials science is both valuable and increasingly necessary for developing novel functional materials and composites that meet the requirements of next-generation technology. A range of simulation techniques are being developed and applied to problems related to materials for energy generation, storage and conversion including solar cells, nuclear reactors, batteries, fuel cells, and catalytic systems. Such techniques may combine crystal-structure prediction (global optimisation), data mining (materials informatics) and high-throughput screening with elements of machine learning. We explore the development process associated with computational materials design, from setting the requirements and descriptors to the development and testing of new materials. As a case study, we critically review progress in the fields of thermoelectrics and photovoltaics, including the simulation of lattice thermal conductivity and the search for Pb-free hybrid halide perovskites. Finally, a number of universal chemical-design principles are advanced.

  12. Computationally Driven Two-Dimensional Materials Design: What Is Next?

    DOE PAGES

    Pan, Jie; Lany, Stephan; Qi, Yue

    2017-07-17

    Two-dimensional (2D) materials offer many key advantages to innovative applications, such as spintronics and quantum information processing. Theoretical computations have accelerated 2D materials design. In this issue of ACS Nano, Kumar et al. report that ferromagnetism can be achieved in functionalized nitride MXene based on first-principles calculations. Their computational results shed light on a potentially vast group of materials for the realization of 2D magnets. In this Perspective, we briefly summarize the promising properties of 2D materials and the role theory has played in predicting these properties. Additionally, we discuss challenges and opportunities to boost the power of computation formore » the prediction of the 'structure-property-process (synthesizability)' relationship of 2D materials.« less

  13. Combinatorial computational chemistry approach for materials design: applications in deNOx catalysis, Fischer-Tropsch synthesis, lanthanoid complex, and lithium ion secondary battery.

    PubMed

    Koyama, Michihisa; Tsuboi, Hideyuki; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A; Miyamoto, Akira

    2007-02-01

    Computational chemistry can provide fundamental knowledge regarding various aspects of materials. While its impact in scientific research is greatly increasing, its contributions to industrially important issues are far from satisfactory. In order to realize industrial innovation by computational chemistry, a new concept "combinatorial computational chemistry" has been proposed by introducing the concept of combinatorial chemistry to computational chemistry. This combinatorial computational chemistry approach enables theoretical high-throughput screening for materials design. In this manuscript, we review the successful applications of combinatorial computational chemistry to deNO(x) catalysts, Fischer-Tropsch catalysts, lanthanoid complex catalysts, and cathodes of the lithium ion secondary battery.

  14. Materials Discovery | Photovoltaic Research | NREL

    Science.gov Websites

    and specialized analysis algorithms. The Center for Next Generation of Materials by Design (CNGMD) is , incorporating metastable materials into predictive design, and developing theory to guide materials synthesis design, accuracy and relevance, metastability, and synthesizability-to make computational materials

  15. Are X-rays the key to integrated computational materials engineering?

    DOE PAGES

    Ice, Gene E.

    2015-11-01

    The ultimate dream of materials science is to predict materials behavior from composition and processing history. Owing to the growing power of computers, this long-time dream has recently found expression through worldwide excitement in a number of computation-based thrusts: integrated computational materials engineering, materials by design, computational materials design, three-dimensional materials physics and mesoscale physics. However, real materials have important crystallographic structures at multiple length scales, which evolve during processing and in service. Moreover, real materials properties can depend on the extreme tails in their structural and chemical distributions. This makes it critical to map structural distributions with sufficient resolutionmore » to resolve small structures and with sufficient statistics to capture the tails of distributions. For two-dimensional materials, there are high-resolution nondestructive probes of surface and near-surface structures with atomic or near-atomic resolution that can provide detailed structural, chemical and functional distributions over important length scales. Furthermore, there are no nondestructive three-dimensional probes with atomic resolution over the multiple length scales needed to understand most materials.« less

  16. Soft computing in design and manufacturing of advanced materials

    NASA Technical Reports Server (NTRS)

    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.

  17. Composite panel development at JPL

    NASA Technical Reports Server (NTRS)

    Mcelroy, Paul; Helms, Rich

    1988-01-01

    Parametric computer studies can be use in a cost effective manner to determine optimized composite mirror panel designs. An InterDisciplinary computer Model (IDM) was created to aid in the development of high precision reflector panels for LDR. The materials properties, thermal responses, structural geometries, and radio/optical precision are synergistically analyzed for specific panel designs. Promising panels designs are fabricated and tested so that comparison with panel test results can be used to verify performance prediction models and accommodate design refinement. The iterative approach of computer design and model refinement with performance testing and materials optimization has shown good results for LDR panels.

  18. A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships

    PubMed Central

    Gronau, Greta; Krishnaji, Sreevidhya T.; Kinahan, Michelle E.; Giesa, Tristan; Wong, Joyce Y.; Kaplan, David L.; Buehler, Markus J.

    2013-01-01

    Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials – elastin, silk, and collagen – and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. PMID:22938765

  19. A review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationships.

    PubMed

    Gronau, Greta; Krishnaji, Sreevidhya T; Kinahan, Michelle E; Giesa, Tristan; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

    2012-11-01

    Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials - elastin, silk, and collagen - and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. Copyright © 2012 Elsevier Ltd. All rights reserved.

  20. Comptational Design Of Functional CA-S-H and Oxide Doped Alloy Systems

    NASA Astrophysics Data System (ADS)

    Yang, Shizhong; Chilla, Lokeshwar; Yang, Yan; Li, Kuo; Wicker, Scott; Zhao, Guang-Lin; Khosravi, Ebrahim; Bai, Shuju; Zhang, Boliang; Guo, Shengmin

    Computer aided functional materials design accelerates the discovery of novel materials. This presentation will cover our recent research advance on the Ca-S-H system properties prediction and oxide doped high entropy alloy property simulation and experiment validation. Several recent developed computational materials design methods were utilized to the two systems physical and chemical properties prediction. A comparison of simulation results to the corresponding experiment data will be introduced. This research is partially supported by NSF CIMM project (OIA-15410795 and the Louisiana BoR), NSF HBCU Supplement climate change and ecosystem sustainability subproject 3, and LONI high performance computing time allocation loni mat bio7.

  1. Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation.

    PubMed

    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.

  2. The Materials Genome Project

    NASA Astrophysics Data System (ADS)

    Aourag, H.

    2008-09-01

    In the past, the search for new and improved materials was characterized mostly by the use of empirical, trial- and-error methods. This picture of materials science has been changing as the knowledge and understanding of fundamental processes governing a material's properties and performance (namely, composition, structure, history, and environment) have increased. In a number of cases, it is now possible to predict a material's properties before it has even been manufactured thus greatly reducing the time spent on testing and development. The objective of modern materials science is to tailor a material (starting with its chemical composition, constituent phases, and microstructure) in order to obtain a desired set of properties suitable for a given application. In the short term, the traditional "empirical" methods for developing new materials will be complemented to a greater degree by theoretical predictions. In some areas, computer simulation is already used by industry to weed out costly or improbable synthesis routes. Can novel materials with optimized properties be designed by computers? Advances in modelling methods at the atomic level coupled with rapid increases in computer capabilities over the last decade have led scientists to answer this question with a resounding "yes'. The ability to design new materials from quantum mechanical principles with computers is currently one of the fastest growing and most exciting areas of theoretical research in the world. The methods allow scientists to evaluate and prescreen new materials "in silico" (in vitro), rather than through time consuming experimentation. The Materials Genome Project is to pursue the theory of large scale modeling as well as powerful methods to construct new materials, with optimized properties. Indeed, it is the intimate synergy between our ability to predict accurately from quantum theory how atoms can be assembled to form new materials and our capacity to synthesize novel materials atom-by-atom that gives to the Materials Genome Project its extraordinary intellectual vitality. Consequently, in designing new materials through computer simulation, our primary objective is to rapidly screen possible designs to find those few that will enhance the competitiveness of industries or have positive benefits to society. Examples include screening of cancer drugs, advances in catalysis for energy production, design of new alloys and multilayers and processing of semiconductors.

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

    PubMed

    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.

  4. Computationally guided discovery of thermoelectric materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gorai, Prashun; Stevanović, Vladan; Toberer, Eric S.

    The potential for advances in thermoelectric materials, and thus solid-state refrigeration and power generation, is immense. Progress so far has been limited by both the breadth and diversity of the chemical space and the serial nature of experimental work. In this Review, we discuss how recent computational advances are revolutionizing our ability to predict electron and phonon transport and scattering, as well as materials dopability, and we examine efficient approaches to calculating critical transport properties across large chemical spaces. When coupled with experimental feedback, these high-throughput approaches can stimulate the discovery of new classes of thermoelectric materials. Within smaller materialsmore » subsets, computations can guide the optimal chemical and structural tailoring to enhance materials performance and provide insight into the underlying transport physics. Beyond perfect materials, computations can be used for the rational design of structural and chemical modifications (such as defects, interfaces, dopants and alloys) to provide additional control on transport properties to optimize performance. Through computational predictions for both materials searches and design, a new paradigm in thermoelectric materials discovery is emerging.« less

  5. Computationally guided discovery of thermoelectric materials

    DOE PAGES

    Gorai, Prashun; Stevanović, Vladan; Toberer, Eric S.

    2017-08-22

    The potential for advances in thermoelectric materials, and thus solid-state refrigeration and power generation, is immense. Progress so far has been limited by both the breadth and diversity of the chemical space and the serial nature of experimental work. In this Review, we discuss how recent computational advances are revolutionizing our ability to predict electron and phonon transport and scattering, as well as materials dopability, and we examine efficient approaches to calculating critical transport properties across large chemical spaces. When coupled with experimental feedback, these high-throughput approaches can stimulate the discovery of new classes of thermoelectric materials. Within smaller materialsmore » subsets, computations can guide the optimal chemical and structural tailoring to enhance materials performance and provide insight into the underlying transport physics. Beyond perfect materials, computations can be used for the rational design of structural and chemical modifications (such as defects, interfaces, dopants and alloys) to provide additional control on transport properties to optimize performance. Through computational predictions for both materials searches and design, a new paradigm in thermoelectric materials discovery is emerging.« less

  6. Near-Resonant Thermomechanics of Energetic and Mock Energetic Composite Materials

    DTIC Science & Technology

    2016-11-01

    munition design . 15. SUBJECT TERMS Energetic Materials; Explosives; Mechanical Vibration; Thermomechanics; Damping; Plasticity 16. SECURITY...preliminary computational modeling tools, which can be used to predict material response during energetic material formulation and munition design . Key...which can be used to predict material response during energetic material formulation and munition design . More specifically, Task Order 0001

  7. Computational design of soft materials for the capture of Cs-137 in contaminated environments: From 2D covalent cucurbituril networks to 3D supramolecular materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pichierri, Fabio, E-mail: fabio@che.tohoku.ac.jp

    Using computational quantum chemistry methods we design novel 2D and 3D soft materials made of cucurbituril macrocycles covalently connected with each other via rigid linkers. Such covalent cucurbituril networks might be useful for the capture of radioactive Cs-137 (present as Cs{sup +}) in the contaminated environment.

  8. Design and evaluation of brushless electrical generators

    NASA Technical Reports Server (NTRS)

    Collins, F. A.; Ellis, J. N.

    1970-01-01

    Ten design manuals assembled and nine computer programs are developed for evaluation of proposed designs of brushless rotating electrical generators. Design manual package provides all information required for generator design, and computer programs permit calculation of performance of specific designs including effects of materials.

  9. Stochastic Analysis and Design of Heterogeneous Microstructural Materials System

    NASA Astrophysics Data System (ADS)

    Xu, Hongyi

    Advanced materials system refers to new materials that are comprised of multiple traditional constituents but complex microstructure morphologies, which lead to superior properties over the conventional materials. To accelerate the development of new advanced materials system, the objective of this dissertation is to develop a computational design framework and the associated techniques for design automation of microstructure materials systems, with an emphasis on addressing the uncertainties associated with the heterogeneity of microstructural materials. Five key research tasks are identified: design representation, design evaluation, design synthesis, material informatics and uncertainty quantification. Design representation of microstructure includes statistical characterization and stochastic reconstruction. This dissertation develops a new descriptor-based methodology, which characterizes 2D microstructures using descriptors of composition, dispersion and geometry. Statistics of 3D descriptors are predicted based on 2D information to enable 2D-to-3D reconstruction. An efficient sequential reconstruction algorithm is developed to reconstruct statistically equivalent random 3D digital microstructures. In design evaluation, a stochastic decomposition and reassembly strategy is developed to deal with the high computational costs and uncertainties induced by material heterogeneity. The properties of Representative Volume Elements (RVE) are predicted by stochastically reassembling SVE elements with stochastic properties into a coarse representation of the RVE. In design synthesis, a new descriptor-based design framework is developed, which integrates computational methods of microstructure characterization and reconstruction, sensitivity analysis, Design of Experiments (DOE), metamodeling and optimization the enable parametric optimization of the microstructure for achieving the desired material properties. Material informatics is studied to efficiently reduce the dimension of microstructure design space. This dissertation develops a machine learning-based methodology to identify the key microstructure descriptors that highly impact properties of interest. In uncertainty quantification, a comparative study on data-driven random process models is conducted to provide guidance for choosing the most accurate model in statistical uncertainty quantification. Two new goodness-of-fit metrics are developed to provide quantitative measurements of random process models' accuracy. The benefits of the proposed methods are demonstrated by the example of designing the microstructure of polymer nanocomposites. This dissertation provides material-generic, intelligent modeling/design methodologies and techniques to accelerate the process of analyzing and designing new microstructural materials system.

  10. Electronic Structure Theory | Materials Science | NREL

    Science.gov Websites

    design and discover materials for energy applications. This includes detailed studies of the physical computing. Key Research Areas Materials by Design NREL leads the U.S. Department of Energy's Center for Next Generation of Materials by Design, which incorporates metastability and synthesizability. Learn more about

  11. Apple IIe Computers and Appleworks Training Mini Course Materials.

    ERIC Educational Resources Information Center

    Schlenker, Richard M.

    The instructional materials included in this document are designed to introduce students to the Apple IIe computer and to the word processing and database portions of the AppleWorks program. The materials are intended for small groups of students, each of whom has use of a computer during class and for short periods between classes. The course…

  12. Alloy Design Workbench-Surface Modeling Package Developed

    NASA Technical Reports Server (NTRS)

    Abel, Phillip B.; Noebe, Ronald D.; Bozzolo, Guillermo H.; Good, Brian S.; Daugherty, Elaine S.

    2003-01-01

    NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

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

    NASA Astrophysics Data System (ADS)

    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.

  14. Computational discovery of extremal microstructure families

    PubMed Central

    Chen, Desai; Skouras, Mélina; Zhu, Bo; Matusik, Wojciech

    2018-01-01

    Modern fabrication techniques, such as additive manufacturing, can be used to create materials with complex custom internal structures. These engineered materials exhibit a much broader range of bulk properties than their base materials and are typically referred to as metamaterials or microstructures. Although metamaterials with extraordinary properties have many applications, designing them is very difficult and is generally done by hand. We propose a computational approach to discover families of microstructures with extremal macroscale properties automatically. Using efficient simulation and sampling techniques, we compute the space of mechanical properties covered by physically realizable microstructures. Our system then clusters microstructures with common topologies into families. Parameterized templates are eventually extracted from families to generate new microstructure designs. We demonstrate these capabilities on the computational design of mechanical metamaterials and present five auxetic microstructure families with extremal elastic material properties. Our study opens the way for the completely automated discovery of extremal microstructures across multiple domains of physics, including applications reliant on thermal, electrical, and magnetic properties. PMID:29376124

  15. Computer Literacy. A Co-Ser Project of Cortland-Madison BOCES, Summer 1983.

    ERIC Educational Resources Information Center

    Rausa, Tom; And Others

    This project was designed to prepare curriculum materials that can be used to teach general computer literacy and rudimentary programming for grades 7 and 8. The intended audience for these materials is the grade 7 and 8 teacher who is not experienced in computer literacy or programming. Materials provided include, in separate sections for the two…

  16. Efficient computation of photonic crystal waveguide modes with dispersive material.

    PubMed

    Schmidt, Kersten; Kappeler, Roman

    2010-03-29

    The optimization of PhC waveguides is a key issue for successfully designing PhC devices. Since this design task is computationally expensive, efficient methods are demanded. The available codes for computing photonic bands are also applied to PhC waveguides. They are reliable but not very efficient, which is even more pronounced for dispersive material. We present a method based on higher order finite elements with curved cells, which allows to solve for the band structure taking directly into account the dispersiveness of the materials. This is accomplished by reformulating the wave equations as a linear eigenproblem in the complex wave-vectors k. For this method, we demonstrate the high efficiency for the computation of guided PhC waveguide modes by a convergence analysis.

  17. 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

    ERIC Educational Resources Information Center

    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…

  18. Considerations for Explosively Driven Conical Shock Tube Design: Computations and Experiments

    DTIC Science & Technology

    2017-02-16

    ARL-TR-7953 ● FEB 2017 US Army Research Laboratory Considerations for Explosively Driven Conical Shock Tube Design : Computations...The findings in this report are not to be construed as an official Department of the Army position unless so designated by other authorized...Considerations for Explosively Driven Conical Shock Tube Designs : Computations and Experiments by Joel B Stewart Weapons and Materials Research Directorate

  19. Materials Databases Infrastructure Constructed by First Principles Calculations: A Review

    DOE PAGES

    Lin, Lianshan

    2015-10-13

    The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hotmore » applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.« less

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

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

    2017-01-01

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  5. Petascale supercomputing to accelerate the design of high-temperature alloys

    DOE PAGES

    Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; ...

    2017-10-25

    Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

  6. Petascale supercomputing to accelerate the design of high-temperature alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shin, Dongwon; Lee, Sangkeun; Shyam, Amit

    Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

  7. Petascale supercomputing to accelerate the design of high-temperature alloys

    NASA Astrophysics Data System (ADS)

    Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; Haynes, J. Allen

    2017-12-01

    Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ‧-Al2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviour of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. The approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.

  8. The Implementation of Blended Learning Using Android-Based Tutorial Video in Computer Programming Course II

    NASA Astrophysics Data System (ADS)

    Huda, C.; Hudha, M. N.; Ain, N.; Nandiyanto, A. B. D.; Abdullah, A. G.; Widiaty, I.

    2018-01-01

    Computer programming course is theoretical. Sufficient practice is necessary to facilitate conceptual understanding and encouraging creativity in designing computer programs/animation. The development of tutorial video in an Android-based blended learning is needed for students’ guide. Using Android-based instructional material, students can independently learn anywhere and anytime. The tutorial video can facilitate students’ understanding about concepts, materials, and procedures of programming/animation making in detail. This study employed a Research and Development method adapting Thiagarajan’s 4D model. The developed Android-based instructional material and tutorial video were validated by experts in instructional media and experts in physics education. The expert validation results showed that the Android-based material was comprehensive and very feasible. The tutorial video was deemed feasible as it received average score of 92.9%. It was also revealed that students’ conceptual understanding, skills, and creativity in designing computer program/animation improved significantly.

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

    ERIC Educational Resources Information Center

    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…

  10. Payroll. Computer Module for Use in a Mathematics Laboratory Setting.

    ERIC Educational Resources Information Center

    Barker, Karen; And Others

    This is one of a series of computer modules designed for use by secondary students who have access to a computer. The module, designed to help students understand various aspects of payroll calculation, includes a statement of objectives, a time schedule, a list of materials, an outline for each section, and several computer programs. (MK)

  11. Advances in computational design and analysis of airbreathing propulsion systems

    NASA Technical Reports Server (NTRS)

    Klineberg, John M.

    1989-01-01

    The development of commercial and military aircraft depends, to a large extent, on engine manufacturers being able to achieve significant increases in propulsion capability through improved component aerodynamics, materials, and structures. The recent history of propulsion has been marked by efforts to develop computational techniques that can speed up the propulsion design process and produce superior designs. The availability of powerful supercomputers, such as the NASA Numerical Aerodynamic Simulator, and the potential for even higher performance offered by parallel computer architectures, have opened the door to the use of multi-dimensional simulations to study complex physical phenomena in propulsion systems that have previously defied analysis or experimental observation. An overview of several NASA Lewis research efforts is provided that are contributing toward the long-range goal of a numerical test-cell for the integrated, multidisciplinary design, analysis, and optimization of propulsion systems. Specific examples in Internal Computational Fluid Mechanics, Computational Structural Mechanics, Computational Materials Science, and High Performance Computing are cited and described in terms of current capabilities, technical challenges, and future research directions.

  12. 2-d and 1-d Nanomaterials Construction through Peptide Computational Design and Solution Assembly

    NASA Astrophysics Data System (ADS)

    Pochan, Darrin

    Self-assembly of molecules is an attractive materials construction strategy due to its simplicity in application. By considering peptidic molecules in the bottom-up materials self-assembly design process, one can take advantage of inherently biomolecular attributes; intramolecular folding events, secondary structure, and electrostatic/H-bonding/hydrophobic interactions to define hierarchical material structure and consequent properties. Importantly, while biomimicry has been a successful strategy for the design of new peptide molecules for intermolecular assembly, computational tools have been developed to de novo design peptide molecules required for construction of pre-determined, desired nanostructures and materials. A new system comprised of coiled coil bundle motifs theoretically designed to assemble into designed, one and two-dimensional nanostructures will be introduced. The strategy provides the opportunity for arbitrary nanostructure formation, i.e. structures not observed in nature, with peptide molecules. Importantly, the desired nanostructure was chosen first while the peptides needed for coiled coil formation and subsequent nanomaterial formation were determined computationally. Different interbundle, two-dimensional nanostructures are stabilized by differences in amino acid composition exposed on the exterior of the coiled coil bundles. Computation was able to determine molecules required for different interbundle symmetries within two-dimensional sheets stabilized by subtle differences in amino acid composition of the inherent peptides. Finally, polymers were also created through covalent interactions between bundles that allowed formation of architectures spanning flexible network forming chains to ultra-stiff polymers, all with the same building block peptides. The success of the computational design strategy is manifested in the nanomaterial results as characterized by electron microscopy, scattering methods, and biophysical techniques. Support from NSF DMREF program under awards DMR-1234161 and DMR-1235084.

  13. Pattern recognition with "materials that compute".

    PubMed

    Fang, Yan; Yashin, Victor V; Levitan, Steven P; Balazs, Anna C

    2016-09-01

    Driven by advances in materials and computer science, researchers are attempting to design systems where the computer and material are one and the same entity. Using theoretical and computational modeling, we design a hybrid material system that can autonomously transduce chemical, mechanical, and electrical energy to perform a computational task in a self-organized manner, without the need for external electrical power sources. Each unit in this system integrates a self-oscillating gel, which undergoes the Belousov-Zhabotinsky (BZ) reaction, with an overlaying piezoelectric (PZ) cantilever. The chemomechanical oscillations of the BZ gels deflect the PZ layer, which consequently generates a voltage across the material. When these BZ-PZ units are connected in series by electrical wires, the oscillations of these units become synchronized across the network, where the mode of synchronization depends on the polarity of the PZ. We show that the network of coupled, synchronizing BZ-PZ oscillators can perform pattern recognition. The "stored" patterns are set of polarities of the individual BZ-PZ units, and the "input" patterns are coded through the initial phase of the oscillations imposed on these units. The results of the modeling show that the input pattern closest to the stored pattern exhibits the fastest convergence time to stable synchronization behavior. In this way, networks of coupled BZ-PZ oscillators achieve pattern recognition. Further, we show that the convergence time to stable synchronization provides a robust measure of the degree of match between the input and stored patterns. Through these studies, we establish experimentally realizable design rules for creating "materials that compute."

  14. NASA Tech Briefs, June 2000. Volume 24, No. 6

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Computers and Peripherals;

  15. Cognitive Aging and Computer-Based Instructional Design: Where Do We Go from Here?

    ERIC Educational Resources Information Center

    Van Gerven, Pascal W. M.; Paas, Fred; Tabbers, Huib K.

    2006-01-01

    In this article, the most relevant literature on cognitive aging and instructional design is merged to formulate recommendations for designing computer-based training material aimed at elderly learners. The core message is that researchers and instructional designers do not need to develop special computerized instruction for older adults. Rather,…

  16. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    NASA Astrophysics Data System (ADS)

    Matouš, Karel; Geers, Marc G. D.; Kouznetsova, Varvara G.; Gillman, Andrew

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  17. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Matouš, Karel, E-mail: kmatous@nd.edu; Geers, Marc G.D.; Kouznetsova, Varvara G.

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platformmore » in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.« less

  18. First-Principles Design of Novel Catalytic and Chemoresponsive Materials

    NASA Astrophysics Data System (ADS)

    Roling, Luke T.

    An emerging trend in materials design is the use of computational chemistry tools to accelerate materials discovery and implementation. In particular, the parallel nature of computational models enables high-throughput screening approaches that would be laborious and time-consuming with experiments alone, and can be useful for identifying promising candidate materials for experimental synthesis and evaluation. Additionally, atomic-scale modeling allows researchers to obtain a detailed understanding of phenomena invisible to many current experimental techniques. In this thesis, we highlight mechanistic studies and successes in catalyst design for heterogeneous electrochemical reactions, discussing both anode and cathode chemistries. In particular, we evaluate the properties of a new class of Pd-Pt core-shell and hollow nanocatalysts toward the oxygen reduction reaction. We do not limit our study to electrochemical reactivity, but also consider these catalysts in a broader context by performing in-depth studies of their stability at elevated temperatures as well as investigating the mechanisms by which they are able to form. We also present fundamental surface science studies, investigating graphene formation and H2 dissociation, which are processes of both fundamental and practical interest in many catalytic applications. Finally, we extend our materials design paradigm outside the field of catalysis to develop and apply a model for the detection of small chemical analytes by chemoresponsive liquid crystals, and offer several predictions for improving the detection of small chemicals. A close connection between computation, synthesis, and experimental evaluation is essential to the work described herein, as computations are used to gain fundamental insight into experimental observations, and experiments and synthesis are in turn used to validate predictions of material activities from computational models.

  19. NASA Tech Briefs, August 2000. Volume 24, No. 8

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics include: Simulation/Virtual Reality; Test and Measurement; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Medical Design.

  20. Application of the Materials-by-Design Methodology to Redesign a New Grade of the High-Strength Low-Alloy Class of Steels with Improved Mechanical Properties and Processability

    NASA Astrophysics Data System (ADS)

    Grujicic, M.; Snipes, J. S.; Ramaswami, S.

    2016-01-01

    An alternative to the traditional trial-and-error empirical approach for the development of new materials is the so-called materials-by-design approach. Within the latter approach, a material is treated as a complex system and its design and optimization is carried out by employing computer-aided engineering analyses, predictive tools, and available material databases. In the present work, the materials-by-design approach is utilized to redesign a grade of high-strength low-alloy (HSLA) class of steels with improved mechanical properties (primarily strength and fracture toughness), processability (e.g., castability, hot formability, and weldability), and corrosion resistance. Toward that end, a number of material thermodynamics, kinetics of phase transformations, and physics of deformation and fracture computational models and databases have been developed/assembled and utilized within a multi-disciplinary, two-level material-by-design optimization scheme. To validate the models, their prediction is compared against the experimental results for the related steel HSLA100. Then the optimization procedure is employed to determine the optimal chemical composition and the tempering schedule for a newly designed grade of the HSLA class of steels with enhanced mechanical properties, processability, and corrosion resistance.

  1. Meta-Analysis of the Minimalist Training Model

    ERIC Educational Resources Information Center

    Ginns, Paul; Hollender, Nina; Reimann, Peter

    2006-01-01

    This article reviews research on the Minimalist instructional design model, a learner-centred approach to the design of instructional materials such as computer program manuals or on-line help. Studies in this paradigm have typically compared minimalist materials against traditional "system-centred" materials. Additionally, some studies have…

  2. A Methodology for Evaluating the Hygroscopic Behavior of Wood in Adaptive Building Skins using Motion Grammar

    NASA Astrophysics Data System (ADS)

    El-Dabaa, Rana; Abdelmohsen, Sherif

    2018-05-01

    The challenge in designing kinetic architecture lies in the lack of applying computational design and human computer interaction to successfully design intelligent and interactive interfaces. The use of ‘programmable materials’ as specifically fabricated composite materials that afford motion upon stimulation is promising for low-cost low-tech systems for kinetic facades in buildings. Despite efforts to develop working prototypes, there has been no clear methodological framework for understanding and controlling the behavior of programmable materials or for using them for such purposes. This paper introduces a methodology for evaluating the motion acquired from programmed material – resulting from the hygroscopic behavior of wood – through ‘motion grammar’. Motion grammar typically allows for the explanation of desired motion control in a computationally tractable method. The paper analyzed and evaluated motion parameters related to the hygroscopic properties and behavior of wood, and introduce a framework for tracking and controlling wood as a programmable material for kinetic architecture.

  3. Computational Screening of 2D Materials for Photocatalysis.

    PubMed

    Singh, Arunima K; Mathew, Kiran; Zhuang, Houlong L; Hennig, Richard G

    2015-03-19

    Two-dimensional (2D) materials exhibit a range of extraordinary electronic, optical, and mechanical properties different from their bulk counterparts with potential applications for 2D materials emerging in energy storage and conversion technologies. In this Perspective, we summarize the recent developments in the field of solar water splitting using 2D materials and review a computational screening approach to rapidly and efficiently discover more 2D materials that possess properties suitable for solar water splitting. Computational tools based on density-functional theory can predict the intrinsic properties of potential photocatalyst such as their electronic properties, optical absorbance, and solubility in aqueous solutions. Computational tools enable the exploration of possible routes to enhance the photocatalytic activity of 2D materials by use of mechanical strain, bias potential, doping, and pH. We discuss future research directions and needed method developments for the computational design and optimization of 2D materials for photocatalysis.

  4. Advanced Aerospace Materials by Design

    NASA Technical Reports Server (NTRS)

    Srivastava, Deepak; Djomehri, Jahed; Wei, Chen-Yu

    2004-01-01

    The advances in the emerging field of nanophase thermal and structural composite materials; materials with embedded sensors and actuators for morphing structures; light-weight composite materials for energy and power storage; and large surface area materials for in-situ resource generation and waste recycling, are expected to :revolutionize the capabilities of virtually every system comprising of future robotic and :human moon and mars exploration missions. A high-performance multiscale simulation platform, including the computational capabilities and resources of Columbia - the new supercomputer, is being developed to discover, validate, and prototype next generation (of such advanced materials. This exhibit will describe the porting and scaling of multiscale 'physics based core computer simulation codes for discovering and designing carbon nanotube-polymer composite materials for light-weight load bearing structural and 'thermal protection applications.

  5. Adhesive Bonding to Hybrid Materials: An Overview of Materials and Recommendations.

    PubMed

    Spitznagel, Frank A; Vuck, Alexander; Gierthmühlen, Petra C; Blatz, Markus B; Horvath, Sebastian D

    2016-10-01

    Recently, hybrid materials have been introduced to the dental market. Together with computer-assisted design/computer-assisted manufacturing (CAD/CAM) composite resins, they form a new class of dental CAD/CAM materials that combine the positive effects of ceramics and composites. As bonding is essential for their clinical longevity, it is crucial to have a good understanding of their material properties and cementation protocols. This review offers clinicians an overview of available hybrid materials and recommendations for their respective adhesive placements.

  6. The Mechanization of Design and Manufacturing.

    ERIC Educational Resources Information Center

    Gunn, Thomas G.

    1982-01-01

    Describes changes in the design of products and in planning, managing, and coordinating their manufacture. Focuses on discrete-products manufacturing industries, encompassing the fabrication and assembly of automobiles, aircraft, computers and microelectric components of computers, furniture, appliances, foods, clothing, building materials, and…

  7. Pattern recognition with “materials that compute”

    PubMed Central

    Fang, Yan; Yashin, Victor V.; Levitan, Steven P.; Balazs, Anna C.

    2016-01-01

    Driven by advances in materials and computer science, researchers are attempting to design systems where the computer and material are one and the same entity. Using theoretical and computational modeling, we design a hybrid material system that can autonomously transduce chemical, mechanical, and electrical energy to perform a computational task in a self-organized manner, without the need for external electrical power sources. Each unit in this system integrates a self-oscillating gel, which undergoes the Belousov-Zhabotinsky (BZ) reaction, with an overlaying piezoelectric (PZ) cantilever. The chemomechanical oscillations of the BZ gels deflect the PZ layer, which consequently generates a voltage across the material. When these BZ-PZ units are connected in series by electrical wires, the oscillations of these units become synchronized across the network, where the mode of synchronization depends on the polarity of the PZ. We show that the network of coupled, synchronizing BZ-PZ oscillators can perform pattern recognition. The “stored” patterns are set of polarities of the individual BZ-PZ units, and the “input” patterns are coded through the initial phase of the oscillations imposed on these units. The results of the modeling show that the input pattern closest to the stored pattern exhibits the fastest convergence time to stable synchronization behavior. In this way, networks of coupled BZ-PZ oscillators achieve pattern recognition. Further, we show that the convergence time to stable synchronization provides a robust measure of the degree of match between the input and stored patterns. Through these studies, we establish experimentally realizable design rules for creating “materials that compute.” PMID:27617290

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

    PubMed

    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.

  9. Microstructure-Property-Design Relationships in the Simulation Era: An Introduction (PREPRINT)

    DTIC Science & Technology

    2010-01-01

    Astronautics (AIAA) paper #1026. 20. Dimiduk DM (1998) Systems engineering of gamma titanium aluminides : impact of fundamentals on development strategy...microstructure-sensitive design tools for single-crystal turbine blades provides an accessible glimpse into future computational tools and their data...requirements. 15. SUBJECT TERMS single-crystal turbine blades , computational methods, integrated computational materials 16. SECURITY

  10. Multi-Scale Hierarchical and Topological Design of Structures for Failure Resistance

    DTIC Science & Technology

    2013-10-04

    materials, simulation, 3D printing , advanced manufacturing, design, fracture Markus J. Buehler Massachusetts Institute of Technology (MIT) 77...by Mineralized Natural Materials: Computation, 3D printing , and Testing, Advanced Functional Materials, (09 2013): 0. doi: 10.1002/adfm.201300215 10...have made substantial progress. Recent work focuses on the analysis of topological effects of composite design, 3D printing of bioinspired and

  11. Towards Zero-Waste Furniture Design.

    PubMed

    Koo, Bongjin; Hergel, Jean; Lefebvre, Sylvain; Mitra, Niloy J

    2017-12-01

    In traditional design, shapes are first conceived, and then fabricated. While this decoupling simplifies the design process, it can result in unwanted material wastage, especially where off-cut pieces are hard to reuse. In absence of explicit feedback on material usage, the designer remains helpless to effectively adapt the design - even when design variabilities exist. We investigate waste minimizing furniture design wherein based on the current design, the user is presented with design variations that result in less wastage of materials. Technically, we dynamically analyze material space layout to determine which parts to change and how , while maintaining original design intent specified in the form of design constraints. We evaluate the approach on various design scenarios, and demonstrate effective material usage that is difficult, if not impossible, to achieve without computational support.

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

    NASA Astrophysics Data System (ADS)

    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.

  13. View of MISSE-8 taken during a session of EVA

    NASA Image and Video Library

    2011-07-12

    ISS028-E-016111 (12 July 2011) --- This close-up image, recorded during a July 12 spacewalk, shows the Materials on International Space Station Experiment - 8 (MISSE-8). The experiment package is a test bed for materials and computing elements attached to the outside of the orbiting complex. These materials and computing elements are being evaluated for the effects of atomic oxygen, ultraviolet, direct sunlight, radiation, and extremes of heat and cold. This experiment allows the development and testing of new materials and computing elements that can better withstand the rigors of space environments. Results will provide a better understanding of the durability of various materials and computing elements when they are exposed to the space environment, with applications in the design of future spacecraft.

  14. NASA Tech Briefs, February 2000. Volume 24, No. 2

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics covered include: Test and Measurement; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Bio-Medical; Mathematics and Information Sciences; Computers and Peripherals.

  15. Mini-Computers and the Building Trades: A Guide for Teachers of Vocational Education. Final Report.

    ERIC Educational Resources Information Center

    Asplen, Donald; And Others

    These training materials are designed to help vocational education teachers introduce students to the utilization and installation of mini- and microcomputers in residential and small business buildings. It consists of two chapters. Chapter 1 contains general materials, designed to promote awareness, and chapter 2 contains materials which are…

  16. Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Maitra, Neepa

    2016-07-14

    This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

  17. Accelerating the design of solar thermal fuel materials through high throughput simulations.

    PubMed

    Liu, Yun; Grossman, Jeffrey C

    2014-12-10

    Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastable structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.

  18. Computational protein design: a review

    NASA Astrophysics Data System (ADS)

    Coluzza, Ivan

    2017-04-01

    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.

  19. Towards computational materials design from first principles using alchemical changes and derivatives.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    von Lilienfeld-Toal, Otto Anatole

    2010-11-01

    The design of new materials with specific physical, chemical, or biological properties is a central goal of much research in materials and medicinal sciences. Except for the simplest and most restricted cases brute-force computational screening of all possible compounds for interesting properties is beyond any current capacity due to the combinatorial nature of chemical compound space (set of stoichiometries and configurations). Consequently, when it comes to computationally optimizing more complex systems, reliable optimization algorithms must not only trade-off sufficient accuracy and computational speed of the models involved, they must also aim for rapid convergence in terms of number of compoundsmore » 'visited'. I will give an overview on recent progress on alchemical first principles paths and gradients in compound space that appear to be promising ingredients for more efficient property optimizations. Specifically, based on molecular grand canonical density functional theory an approach will be presented for the construction of high-dimensional yet analytical property gradients in chemical compound space. Thereafter, applications to molecular HOMO eigenvalues, catalyst design, and other problems and systems shall be discussed.« less

  20. Computational Electromagnetic Modeling of SansEC(Trade Mark) Sensors

    NASA Technical Reports Server (NTRS)

    Smith, Laura J.; Dudley, Kenneth L.; Szatkowski, George N.

    2011-01-01

    This paper describes the preliminary effort to apply computational design tools to aid in the development of an electromagnetic SansEC resonant sensor composite materials damage detection system. The computational methods and models employed on this research problem will evolve in complexity over time and will lead to the development of new computational methods and experimental sensor systems that demonstrate the capability to detect, diagnose, and monitor the damage of composite materials and structures on aerospace vehicles.

  1. A Bridge for Accelerating Materials by Design

    DOE PAGES

    Sumpter, Bobby G.; Vasudevan, Rama K.; Potok, Thomas E.; ...

    2015-11-25

    Recent technical advances in the area of nanoscale imaging, spectroscopy, and scattering/diffraction have led to unprecedented capabilities for investigating materials structural, dynamical and functional characteristics. In addition, recent advances in computational algorithms and computer capacities that are orders of magnitude larger/faster have enabled large-scale simulations of materials properties starting with nothing but the identity of the atomic species and the basic principles of quantum- and statistical-mechanics and thermodynamics. Along with these advances, an explosion of high-resolution data has emerged. This confluence of capabilities and rise of big data offer grand opportunities for advancing materials sciences but also introduce several challenges.more » In this editorial we identify challenges impeding progress towards advancing materials by design (e.g., the design/discovery of materials with improved properties/performance), possible solutions, and provide examples of scientific issues that can be addressed by using a tightly integrated approach where theory and experiments are linked through big-deep data.« less

  2. A novel method for NDT applications using NXCT system at the Missouri University of Science & Technology

    NASA Astrophysics Data System (ADS)

    Sinha, Vaibhav; Srivastava, Anjali; Koo Lee, Hyoung

    2014-06-01

    A novel method for non-destructive analysis has been developed using a neutron/X-ray combined computed tomography (NXCT) system at the Missouri University of Science and Technology Reactor (MSTR). This imaging system takes advantage of the fact that neutrons and X-rays have characteristically different interactions with same materials. NXCT fuses the imaging capabilities of both systems at one location and allows instant evaluation for nondestructive testing (NDT) applications. This technique promises viable advances in the field of NDT. In this paper, the complete design criteria and procedures are provided. The described design criteria and procedures can effectively be utilized to design and develop advanced combined computed tomography system. The successful operation of the high resolution X-ray and neutron computed tomography has been demonstrated in this paper. The utility and importance of the NXCT system has been shown by nondestructive evaluation of various phantoms constituting different materials, geometrical, structural and compositional information. The concept of NXCT can be useful for concealed material detection, material characterization, investigation of complex geometries involving different atomic number materials and real time imaging for in-situ studies.

  3. View of MISSE-8 taken during a session of EVA

    NASA Image and Video Library

    2011-07-12

    ISS028-E-016107 (12 July 2011) --- This medium close-up image, recorded during a July 12 spacewalk, shows the Materials on International Space Station Experiment - 8 (MISSE-8). The experiment package is a test bed for materials and computing elements attached to the outside of the orbiting complex. These materials and computing elements are being evaluated for the effects of atomic oxygen, ultraviolet, direct sunlight, radiation, and extremes of heat and cold. This experiment allows the development and testing of new materials and computing elements that can better withstand the rigors of space environments. Results will provide a better understanding of the durability of various materials and computing elements when they are exposed to the space environment, with applications in the design of future spacecraft.

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

    PubMed

    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 < .05). The mean torques at failure ranged from 3467 g.mm for Mark II to 11,902 g.mm for YZ. The mean torsion angles at failure ranged from 15.3° to 40.9°. Zirconia had the highest torsional strength among the tested esthetic brackets. Resistance of MZ100 and Lava Ultimate composite resin brackets to archwire torsion was comparable to commercially available alumina ceramic brackets.

  5. MaRIE theory, modeling and computation roadmap executive summary

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lookman, Turab

    The confluence of MaRIE (Matter-Radiation Interactions in Extreme) and extreme (exascale) computing timelines offers a unique opportunity in co-designing the elements of materials discovery, with theory and high performance computing, itself co-designed by constrained optimization of hardware and software, and experiments. MaRIE's theory, modeling, and computation (TMC) roadmap efforts have paralleled 'MaRIE First Experiments' science activities in the areas of materials dynamics, irradiated materials and complex functional materials in extreme conditions. The documents that follow this executive summary describe in detail for each of these areas the current state of the art, the gaps that exist and the road mapmore » to MaRIE and beyond. Here we integrate the various elements to articulate an overarching theme related to the role and consequences of heterogeneities which manifest as competing states in a complex energy landscape. MaRIE experiments will locate, measure and follow the dynamical evolution of these heterogeneities. Our TMC vision spans the various pillar science and highlights the key theoretical and experimental challenges. We also present a theory, modeling and computation roadmap of the path to and beyond MaRIE in each of the science areas.« less

  6. Making Ceramic/Polymer Parts By Extrusion Stereolithography

    NASA Technical Reports Server (NTRS)

    Stuffle, Kevin; Mulligan, A.; Creegan, P.; Boulton, J. M.; Lombardi, J. L.; Calvert, P. D.

    1996-01-01

    Extrusion stereolithography developmental method of computer-controlled manufacturing of objects out of ceramic/polymer composite materials. Computer-aided design/computer-aided manufacturing (CAD/CAM) software used to create image of desired part and translate image into motion commands for combination of mechanisms moving resin dispenser. Extrusion performed in coordination with motion of dispenser so buildup of extruded material takes on size and shape of desired part. Part thermally cured after deposition.

  7. NASA Tech Briefs, May 2000. Volume 24, No. 5

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics include: Sensors: Test and Measurement; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Composites and Plastics; Materials; Computer Programs; Mechanics;

  8. Design and implementation of a Windows NT network to support CNC activities

    NASA Technical Reports Server (NTRS)

    Shearrow, C. A.

    1996-01-01

    The Manufacturing, Materials, & Processes Technology Division is undergoing dramatic changes to bring it's manufacturing practices current with today's technological revolution. The Division is developing Computer Automated Design and Computer Automated Manufacturing (CAD/CAM) abilities. The development of resource tracking is underway in the form of an accounting software package called Infisy. These two efforts will bring the division into the 1980's in relationship to manufacturing processes. Computer Integrated Manufacturing (CIM) is the final phase of change to be implemented. This document is a qualitative study and application of a CIM application capable of finishing the changes necessary to bring the manufacturing practices into the 1990's. The documentation provided in this qualitative research effort includes discovery of the current status of manufacturing in the Manufacturing, Materials, & Processes Technology Division including the software, hardware, network and mode of operation. The proposed direction of research included a network design, computers to be used, software to be used, machine to computer connections, estimate a timeline for implementation, and a cost estimate. Recommendation for the division's improvement include action to be taken, software to utilize, and computer configurations.

  9. Additive manufacturing: Toward holistic design

    DOE PAGES

    Jared, Bradley H.; Aguilo, Miguel A.; Beghini, Lauren L.; ...

    2017-03-18

    Here, additive manufacturing offers unprecedented opportunities to design complex structures optimized for performance envelopes inaccessible under conventional manufacturing constraints. Additive processes also promote realization of engineered materials with microstructures and properties that are impossible via traditional synthesis techniques. Enthused by these capabilities, optimization design tools have experienced a recent revival. The current capabilities of additive processes and optimization tools are summarized briefly, while an emerging opportunity is discussed to achieve a holistic design paradigm whereby computational tools are integrated with stochastic process and material awareness to enable the concurrent optimization of design topologies, material constructs and fabrication processes.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Modeling and additive manufacturing of bio-inspired composites with tunable fracture mechanical properties.

    PubMed

    Dimas, Leon S; Buehler, Markus J

    2014-07-07

    Flaws, imperfections and cracks are ubiquitous in material systems and are commonly the catalysts of catastrophic material failure. As stresses and strains tend to concentrate around cracks and imperfections, structures tend to fail far before large regions of material have ever been subjected to significant loading. Therefore, a major challenge in material design is to engineer systems that perform on par with pristine structures despite the presence of imperfections. In this work we integrate knowledge of biological systems with computational modeling and state of the art additive manufacturing to synthesize advanced composites with tunable fracture mechanical properties. Supported by extensive mesoscale computer simulations, we demonstrate the design and manufacturing of composites that exhibit deformation mechanisms characteristic of pristine systems, featuring flaw-tolerant properties. We analyze the results by directly comparing strain fields for the synthesized composites, obtained through digital image correlation (DIC), and the computationally tested composites. Moreover, we plot Ashby diagrams for the range of simulated and experimental composites. Our findings show good agreement between simulation and experiment, confirming that the proposed mechanisms have a significant potential for vastly improving the fracture response of composite materials. We elucidate the role of stiffness ratio variations of composite constituents as an important feature in determining the composite properties. Moreover, our work validates the predictive ability of our models, presenting them as useful tools for guiding further material design. This work enables the tailored design and manufacturing of composites assembled from inferior building blocks, that obtain optimal combinations of stiffness and toughness.

  12. Comparative Evaluation of a Four-Implant-Supported Polyetherketoneketone Framework Prosthesis: A Three-Dimensional Finite Element Analysis Based on Cone Beam Computed Tomography and Computer-Aided Design.

    PubMed

    Lee, Ki-Sun; Shin, Sang-Wan; Lee, Sang-Pyo; Kim, Jong-Eun; Kim, Jee-Hwan; Lee, Jeong-Yol

    The purpose of this pilot study was to evaluate and compare polyetherketoneketone (PEKK) with different framework materials for implant-supported prostheses by means of a three-dimensional finite element analysis (3D-FEA) based on cone beam computed tomography (CBCT) and computer-aided design (CAD) data. A geometric model that consisted of four maxillary implants supporting a prosthesis framework was constructed from CBCT and CAD data of a treated patient. Three different materials (zirconia, titanium, and PEKK) were selected, and their material properties were simulated using FEA software in the generated geometric model. In the PEKK framework (ie, low elastic modulus) group, the stress transferred to the implant and simulated adjacent tissue was reduced when compressive stress was dominant, but increased when tensile stress was dominant. This study suggests that the shock-absorbing effects of a resilient implant-supported framework are limited in some areas and that rigid framework material shows a favorable stress distribution and safety of overall components of the prosthesis.

  13. Computational Nanotechnology at NASA Ames Research Center, 1996

    NASA Technical Reports Server (NTRS)

    Globus, Al; Bailey, David; Langhoff, Steve; Pohorille, Andrew; Levit, Creon; Chancellor, Marisa K. (Technical Monitor)

    1996-01-01

    Some forms of nanotechnology appear to have enormous potential to improve aerospace and computer systems; computational nanotechnology, the design and simulation of programmable molecular machines, is crucial to progress. NASA Ames Research Center has begun a computational nanotechnology program including in-house work, external research grants, and grants of supercomputer time. Four goals have been established: (1) Simulate a hypothetical programmable molecular machine replicating itself and building other products. (2) Develop molecular manufacturing CAD (computer aided design) software and use it to design molecular manufacturing systems and products of aerospace interest, including computer components. (3) Characterize nanotechnologically accessible materials of aerospace interest. Such materials may have excellent strength and thermal properties. (4) Collaborate with experimentalists. Current in-house activities include: (1) Development of NanoDesign, software to design and simulate a nanotechnology based on functionalized fullerenes. Early work focuses on gears. (2) A design for high density atomically precise memory. (3) Design of nanotechnology systems based on biology. (4) Characterization of diamonoid mechanosynthetic pathways. (5) Studies of the laplacian of the electronic charge density to understand molecular structure and reactivity. (6) Studies of entropic effects during self-assembly. Characterization of properties of matter for clusters up to sizes exhibiting bulk properties. In addition, the NAS (NASA Advanced Supercomputing) supercomputer division sponsored a workshop on computational molecular nanotechnology on March 4-5, 1996 held at NASA Ames Research Center. Finally, collaborations with Bill Goddard at CalTech, Ralph Merkle at Xerox Parc, Don Brenner at NCSU (North Carolina State University), Tom McKendree at Hughes, and Todd Wipke at UCSC are underway.

  14. PREFACE: Proceedings of the 2nd International Conference on Quantum Simulators and Design (Tokyo, Japan, 31 May-3 June 2008) Proceedings of the 2nd International Conference on Quantum Simulators and Design (Tokyo, Japan, 31 May-3 June 2008)

    NASA Astrophysics Data System (ADS)

    Akai, Hisazumi; Tsuneyuki, Shinji

    2009-02-01

    This special issue of Journal of Physics: Condensed Matter comprises selected papers from the proceedings of the 2nd International Conference on Quantum Simulators and Design (QSD2008) held in Tokyo, Japan, between 31 May and 3 June 2008. This conference was organized under the auspices of the Development of New Quantum Simulators and Quantum Design Grant-in-Aid for Scientific Research on Priority Areas, Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). The conference focused on the development of first principles electronic structure calculations and their applications. The aim was to provide an opportunity for discussion on the progress in computational materials design and, in particular, the development of quantum simulators and quantum design. Computational materials design is a computational approach to the development of new materials. The essential ingredient is the use of quantum simulators to design a material that meets a given specification of properties and functionalities. For this to be successful, the quantum simulator should be very reliable and be applicable to systems of realistic size. During the conference, new methods of quantum simulation and quantum design were discussed including methods beyond the local density approximation of density functional theory, order-N methods, methods dealing with excitations and reactions, and the application of these methods to the design of novel materials, devices and systems. The conference provided an international forum for experimental and theoretical researchers to exchange ideas. A total of 220 delegates from eight countries participated in the conference. There were 13 invited talks, ten oral presentations and 120 posters. The 3rd International Conference on Quantum Simulators and Design will be held in Germany in the autumn of 2011.

  15. Improved Computer-Aided Instruction by the Use of Interfaced Random-Access Audio-Visual Equipment. Report on Research Project No. P/24/1.

    ERIC Educational Resources Information Center

    Bryce, C. F. A.; Stewart, A. M.

    A brief review of the characteristics of computer assisted instruction and the attributes of audiovisual media introduces this report on a project designed to improve the effectiveness of computer assisted learning through the incorporation of audiovisual materials. A discussion of the implications of research findings on the design and layout of…

  16. An integrated computational tool for precipitation simulation

    NASA Astrophysics Data System (ADS)

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

    2011-07-01

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

  17. Artificial Intelligence Methods: Challenge in Computer Based Polymer Design

    NASA Astrophysics Data System (ADS)

    Rusu, Teodora; Pinteala, Mariana; Cartwright, Hugh

    2009-08-01

    This paper deals with the use of Artificial Intelligence Methods (AI) in the design of new molecules possessing desired physical, chemical and biological properties. This is an important and difficult problem in the chemical, material and pharmaceutical industries. Traditional methods involve a laborious and expensive trial-and-error procedure, but computer-assisted approaches offer many advantages in the automation of molecular design.

  18. Computer-Aided Authoring of Programmed Instruction for Teaching Symbol Recognition. Final Report.

    ERIC Educational Resources Information Center

    Braby, Richard; And Others

    This description of AUTHOR, a computer program for the automated authoring of programmed texts designed to teach symbol recognition, includes discussions of the learning strategies incorporated in the design of the instructional materials, hardware description and the algorithm for the software, and current and future developments. Appendices…

  19. [IDEAS For Equitable Computer Learning.

    ERIC Educational Resources Information Center

    Schubert, Jane G.; And Others

    Designed to assist educators in improving computer learning opportunities for students, this packet of materials presents practical strategies that address 12 barriers to equitable instruction: (1) lack of encouragement for females and minority students to use computers; (2) potential value of computer learning more apparent to males than females;…

  20. Harnessing the Big Data Paradigm for ICME: Shifting from Materials Selection to Materials Enabled Design

    NASA Astrophysics Data System (ADS)

    Broderick, Scott R.; Santhanam, Ganesh Ram; Rajan, Krishna

    2016-08-01

    As the size of databases has significantly increased, whether through high throughput computation or through informatics-based modeling, the challenge of selecting the optimal material for specific design requirements has also arisen. Given the multiple, and often conflicting, design requirements, this selection process is not as trivial as sorting the database for a given property value. We suggest that the materials selection process should minimize selector bias, as well as take data uncertainty into account. For this reason, we discuss and apply decision theory for identifying chemical additions to Ni-base alloys. We demonstrate and compare results for both a computational array of chemistries and standard commercial superalloys. We demonstrate how we can use decision theory to select the best chemical additions for enhancing both property and processing, which would not otherwise be easily identifiable. This work is one of the first examples of introducing the mathematical framework of set theory and decision analysis into the domain of the materials selection process.

  1. Biological materials by design.

    PubMed

    Qin, Zhao; Dimas, Leon; Adler, David; Bratzel, Graham; Buehler, Markus J

    2014-02-19

    In this topical review we discuss recent advances in the use of physical insight into the way biological materials function, to design novel engineered materials 'from scratch', or from the level of fundamental building blocks upwards and by using computational multiscale methods that link chemistry to material function. We present studies that connect advances in multiscale hierarchical material structuring with material synthesis and testing, review case studies of wood and other biological materials, and illustrate how engineered fiber composites and bulk materials are designed, modeled, and then synthesized and tested experimentally. The integration of experiment and simulation in multiscale design opens new avenues to explore the physics of materials from a fundamental perspective, and using complementary strengths from models and empirical techniques. Recent developments in this field illustrate a new paradigm by which complex material functionality is achieved through hierarchical structuring in spite of simple material constituents.

  2. Composite structural materials. [aircraft applications

    NASA Technical Reports Server (NTRS)

    Ansell, G. S.; Loewy, R. G.; Wiberley, S. E.

    1981-01-01

    The development of composite materials for aircraft applications is addressed with specific consideration of physical properties, structural concepts and analysis, manufacturing, reliability, and life prediction. The design and flight testing of composite ultralight gliders is documented. Advances in computer aided design and methods for nondestructive testing are also discussed.

  3. Wiki-Based Rapid Prototyping for Teaching-Material Design in E-Learning Grids

    ERIC Educational Resources Information Center

    Shih, Wen-Chung; Tseng, Shian-Shyong; Yang, Chao-Tung

    2008-01-01

    Grid computing environments with abundant resources can support innovative e-Learning applications, and are promising platforms for e-Learning. To support individualized and adaptive learning, teachers are encouraged to develop various teaching materials according to different requirements. However, traditional methodologies for designing teaching…

  4. Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

    NASA Technical Reports Server (NTRS)

    Gates, Thomas S.; Hinkley, Jeffrey A.

    2003-01-01

    The paper provides details on the structure and implementation of the Computational Materials program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA's broad mission objectives.

  5. Accelerating the Design of Solar Thermal Fuel Materials through High Throughput Simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Y; Grossman, JC

    2014-12-01

    Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastablemore » structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.« less

  6. Design and implementation of practical bidirectional texture function measurement devices focusing on the developments at the University of Bonn.

    PubMed

    Schwartz, Christopher; Sarlette, Ralf; Weinmann, Michael; Rump, Martin; Klein, Reinhard

    2014-04-28

    Understanding as well as realistic reproduction of the appearance of materials play an important role in computer graphics, computer vision and industry. They enable applications such as digital material design, virtual prototyping and faithful virtual surrogates for entertainment, marketing, education or cultural heritage documentation. A particularly fruitful way to obtain the digital appearance is the acquisition of reflectance from real-world material samples. Therefore, a great variety of devices to perform this task has been proposed. In this work, we investigate their practical usefulness. We first identify a set of necessary attributes and establish a general categorization of different designs that have been realized. Subsequently, we provide an in-depth discussion of three particular implementations by our work group, demonstrating advantages and disadvantages of different system designs with respect to the previously established attributes. Finally, we survey the existing literature to compare our implementation with related approaches.

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

    PubMed

    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.

  8. Probabilistic Analysis of a SiC/SiC Ceramic Matrix Composite Turbine Vane

    NASA Technical Reports Server (NTRS)

    Murthy, Pappu L. N.; Nemeth, Noel N.; Brewer, David N.; Mital, Subodh

    2004-01-01

    To demonstrate the advanced composite materials technology under development within the Ultra-Efficient Engine Technology (UEET) Program, it was planned to fabricate, test, and analyze a turbine vane made entirely of silicon carbide-fiber-reinforced silicon carbide matrix composite (SiC/SiC CMC) material. The objective was to utilize a five-harness satin weave melt-infiltrated (MI) SiC/SiC composite material developed under this program to design and fabricate a stator vane that can endure 1000 hours of engine service conditions. The vane was designed such that the expected maximum stresses were kept within the proportional limit strength of the material. Any violation of this design requirement was considered as the failure. This report presents results of a probabilistic analysis and reliability assessment of the vane. Probability of failure to meet the design requirements was computed. In the analysis, material properties, strength, and pressure loading were considered as random variables. The pressure loads were considered normally distributed with a nominal variation. A temperature profile on the vane was obtained by performing a computational fluid dynamics (CFD) analysis and was assumed to be deterministic. The results suggest that for the current vane design, the chance of not meeting design requirements is about 1.6 percent.

  9. From Interfaces to Bulk: Experimental-Computational Studies Across Time and Length Scales of Multi-Functional Ionic Polymers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Perahia, Dvora; Grest, Gary S.

    Neutron experiments coupled with computational components have resulted in unprecedented understanding of the factors that impact the behavior of ionic structured polymers. Additionally, new computational tools to study macromolecules, were developed. In parallel, this DOE funding have enabled the education of the next generation of material researchers who are able to take the advantage neutron tools offer to the understanding and design of advanced materials. Our research has provided unprecedented insight into one of the major factors that limits the use of ionizable polymers, combining the macroscopic view obtained from the experimental techniques with molecular insight extracted from computational studiesmore » leading to transformative knowledge that will impact the design of nano-structured, materials. With the focus on model systems, of broad interest to the scientific community and to industry, the research addressed challenges that cut across a large number of polymers, independent of the specific chemical structure or the transported species.« less

  10. Computational Materials Program for Alloy Design

    NASA Technical Reports Server (NTRS)

    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 detailed later in this Report.

  11. Computing Aspects of Interactive Video.

    ERIC Educational Resources Information Center

    Butcher, P. G.

    1986-01-01

    Describes design and production of the award-winning software used to control Great Britain's Open University Materials Science videodisc, the Teddy Bear Disc, which is used to teach undergraduate students about materials engineering. The disc is designed for use in one-week sessions, which students attend in July or August. (MBR)

  12. Instructional Design Considerations in Converting Non-CBT Materials into CBT Courses.

    ERIC Educational Resources Information Center

    Ng, Raymond

    Instructional designers who are asked to convert existing training materials into computer-based training (CBT) must take special precautions to avoid making the product into a sophisticated page turner. Although conversion may save considerable time on subject research and analysis, courses to be delivered through microcomputers may require…

  13. Stablization of Nanotwinned Microstructures in Stainless Steels Through Alloying and Microstructural Design

    DTIC Science & Technology

    2013-08-23

    REPORT Stablization of Nanotwinned Microstructures in Stainless Steels Through Alloying and Microstructural Design 14. ABSTRACT 16. SECURITY...15. SUBJECT TERMS materials design, stainless steels , plastic deformation by twinning, computational materials science, experimental characterization...Standard Form 298 (Rev 8/98) Prescribed by ANSI Std. Z39.18 - 30-Jun-2013 Stablization of Nanotwinned Microstructures in Stainless Steels Through

  14. Computer Simulation For Design Of TWT's

    NASA Technical Reports Server (NTRS)

    Bartos, Karen F.; Fite, E. Brian; Shalkhauser, Kurt A.; Sharp, G. Richard

    1992-01-01

    A three-dimensional finite-element analytical technique facilitates design and fabrication of traveling-wave-tube (TWT) slow-wave structures. Used to perform thermal and mechanical analyses of TWT designed with variety of configurations, geometries, and materials. Using three-dimensional computer analysis, designer able to simulate building and testing of TWT, with consequent substantial saving of time and money. Technique enables detailed look into operation of traveling-wave tubes to help improve performance for future communications systems.

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

    NASA Technical Reports Server (NTRS)

    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.

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

    NASA Astrophysics Data System (ADS)

    Xiao, Jie

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

  17. NASA Tech Briefs, March 1996. Volume 20, No. 3

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics: Computer-Aided Design and Engineering; Electronic Components and Cicuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information; Books and Reports.

  18. NASA Tech Briefs, September 1999. Volume 23, No. 9

    NASA Technical Reports Server (NTRS)

    1999-01-01

    Topics discussed include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences;

  19. NASA Tech Briefs, March 1993. Volume 17, No. 3

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences;

  20. Physics-based Entry, Descent and Landing Risk Model

    NASA Technical Reports Server (NTRS)

    Gee, Ken; Huynh, Loc C.; Manning, Ted

    2014-01-01

    A physics-based risk model was developed to assess the risk associated with thermal protection system failures during the entry, descent and landing phase of a manned spacecraft mission. In the model, entry trajectories were computed using a three-degree-of-freedom trajectory tool, the aerothermodynamic heating environment was computed using an engineering-level computational tool and the thermal response of the TPS material was modeled using a one-dimensional thermal response tool. The model was capable of modeling the effect of micrometeoroid and orbital debris impact damage on the TPS thermal response. A Monte Carlo analysis was used to determine the effects of uncertainties in the vehicle state at Entry Interface, aerothermodynamic heating and material properties on the performance of the TPS design. The failure criterion was set as a temperature limit at the bondline between the TPS and the underlying structure. Both direct computation and response surface approaches were used to compute the risk. The model was applied to a generic manned space capsule design. The effect of material property uncertainty and MMOD damage on risk of failure were analyzed. A comparison of the direct computation and response surface approach was undertaken.

  1. Computational predictions of energy materials using density functional theory

    NASA Astrophysics Data System (ADS)

    Jain, Anubhav; Shin, Yongwoo; Persson, Kristin A.

    2016-01-01

    In the search for new functional materials, quantum mechanics is an exciting starting point. The fundamental laws that govern the behaviour of electrons have the possibility, at the other end of the scale, to predict the performance of a material for a targeted application. In some cases, this is achievable using density functional theory (DFT). In this Review, we highlight DFT studies predicting energy-related materials that were subsequently confirmed experimentally. The attributes and limitations of DFT for the computational design of materials for lithium-ion batteries, hydrogen production and storage materials, superconductors, photovoltaics and thermoelectric materials are discussed. In the future, we expect that the accuracy of DFT-based methods will continue to improve and that growth in computing power will enable millions of materials to be virtually screened for specific applications. Thus, these examples represent a first glimpse of what may become a routine and integral step in materials discovery.

  2. Computer-Aided Design in Further Education.

    ERIC Educational Resources Information Center

    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…

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

    ERIC Educational Resources Information Center

    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)…

  4. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jared, Bradley H.; Aguilo, Miguel A.; Beghini, Lauren L.

    Here, additive manufacturing offers unprecedented opportunities to design complex structures optimized for performance envelopes inaccessible under conventional manufacturing constraints. Additive processes also promote realization of engineered materials with microstructures and properties that are impossible via traditional synthesis techniques. Enthused by these capabilities, optimization design tools have experienced a recent revival. The current capabilities of additive processes and optimization tools are summarized briefly, while an emerging opportunity is discussed to achieve a holistic design paradigm whereby computational tools are integrated with stochastic process and material awareness to enable the concurrent optimization of design topologies, material constructs and fabrication processes.

  5. NASA Tech Briefs, November 1999. Volume 23, No. 11

    NASA Technical Reports Server (NTRS)

    1999-01-01

    Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Materials; Computer Programs; Mechanics; Machinery/Automation; Physical Sciences; Mathematics and Information Sciences; Books and Reports.

  6. Basic materials and structures aspects for hypersonic transport vehicles (HTV)

    NASA Astrophysics Data System (ADS)

    Steinheil, E.; Uhse, W.

    A Mach 5 transport design is used to illustrate structural concepts and criteria for materials selections and also key technologies that must be followed in the areas of computational methods, materials and construction methods. Aside from the primary criteria of low weight, low costs, and conceivable risks, a number of additional requirements must be met, including stiffness and strength, corrosion resistance, durability, and a construction adequate for inspection, maintenance and repair. Current aircraft construction requirements are significantly extended for hypersonic vehicles. Additional consideration is given to long-duration temperature resistance of the airframe structure, the integration of large-volume cryogenic fuel tanks, computational tools, structural design, polymer matrix composites, and advanced manufacturing technologies.

  7. Stepping into the omics era: Opportunities and challenges for biomaterials science and engineering.

    PubMed

    Groen, Nathalie; Guvendiren, Murat; Rabitz, Herschel; Welsh, William J; Kohn, Joachim; de Boer, Jan

    2016-04-01

    The research paradigm in biomaterials science and engineering is evolving from using low-throughput and iterative experimental designs towards high-throughput experimental designs for materials optimization and the evaluation of materials properties. Computational science plays an important role in this transition. With the emergence of the omics approach in the biomaterials field, referred to as materiomics, high-throughput approaches hold the promise of tackling the complexity of materials and understanding correlations between material properties and their effects on complex biological systems. The intrinsic complexity of biological systems is an important factor that is often oversimplified when characterizing biological responses to materials and establishing property-activity relationships. Indeed, in vitro tests designed to predict in vivo performance of a given biomaterial are largely lacking as we are not able to capture the biological complexity of whole tissues in an in vitro model. In this opinion paper, we explain how we reached our opinion that converging genomics and materiomics into a new field would enable a significant acceleration of the development of new and improved medical devices. The use of computational modeling to correlate high-throughput gene expression profiling with high throughput combinatorial material design strategies would add power to the analysis of biological effects induced by material properties. We believe that this extra layer of complexity on top of high-throughput material experimentation is necessary to tackle the biological complexity and further advance the biomaterials field. In this opinion paper, we postulate that converging genomics and materiomics into a new field would enable a significant acceleration of the development of new and improved medical devices. The use of computational modeling to correlate high-throughput gene expression profiling with high throughput combinatorial material design strategies would add power to the analysis of biological effects induced by material properties. We believe that this extra layer of complexity on top of high-throughput material experimentation is necessary to tackle the biological complexity and further advance the biomaterials field. Copyright © 2016. Published by Elsevier Ltd.

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

    NASA Technical Reports Server (NTRS)

    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.

  9. NASA Tech Briefs, January 2000. Volume 24, No. 1

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics include: Data Acquisition; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Bio-Medical; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Information Sciences; Books and reports.

  10. Robot Design

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Martin Marietta Aero and Naval Systems has advanced the CAD art to a very high level at its Robotics Laboratory. One of the company's major projects is construction of a huge Field Material Handling Robot for the Army's Human Engineering Lab. Design of FMR, intended to move heavy and dangerous material such as ammunition, was a triumph in CAD Engineering. Separate computer problems modeled the robot's kinematics and dynamics, yielding such parameters as the strength of materials required for each component, the length of the arms, their degree of freedom and power of hydraulic system needed. The Robotics Lab went a step further and added data enabling computer simulation and animation of the robot's total operational capability under various loading and unloading conditions. NASA computer program (IAC), integrated Analysis Capability Engineering Database was used. Program contains a series of modules that can stand alone or be integrated with data from sensors or software tools.

  11. Creation and application of three-dimensional computer-graphic animations for introduction to radiological physics and technology.

    PubMed

    Hasegawa, Tomoyuki; Kojima, Haruna; Masu, Chisato; Fukushima, Yasuhiro; Kojima, Hironori; Konokawa, Kiminori; Isobe, Tomonori; Sato, Eisuke; Murayama, Hideo; Maruyama, Koichi; Umeda, Tokuo

    2010-01-01

    Physics-related subjects are important in the educational fields of radiological physics and technology. However, conventional teaching tools, for example texts, equations, and two-dimensional figures, are not very effective in attracting the interest of students. Therefore, we have created several multimedia educational materials covering radiological physics and technology. Each educational presentation includes several segments of high-quality computer-graphic animations designed to attract students' interest. We used personal computers (PCs) and commercial software to create and compile these. Undergraduate and graduate students and teachers and related professionals contributed to the design and creation of the educational materials as part of student research. The educational materials can be displayed on a PC monitor and manipulated with popular free software. Opinion surveys conducted in undergraduate courses at Kitasato University support the effectiveness of our educational tools in helping students gain a better understanding of the subjects offered and in raising their interest.

  12. The development of the ICME supply-chain: Route to ICME implementation and sustainment

    NASA Astrophysics Data System (ADS)

    Furrer, David; Schirra, John

    2011-04-01

    Over the past twenty years, integrated computational materials engineering (ICME) has emerged as a key engineering field with great promise. Models simulating materials-related phenomena have been developed and are being validated for industrial application. The integration of computational methods into material, process and component design has been a challenge, however, in part due to the complexities in the development of an ICME "supply-chain" that supports, sustains and delivers this emerging technology. ICME touches many disciplines, which results in a requirement for many types of computational-based technology organizations to be involved to provide tools that can be rapidly developed, validated, deployed and maintained for industrial applications. The need for, and the current state of an ICME supply-chain along with development and future requirements for the continued pace of introduction of ICME into industrial design practices will be reviewed within this article.

  13. Optimizing a reconfigurable material via evolutionary computation

    NASA Astrophysics Data System (ADS)

    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.

  14. Integrated Computational Materials Engineering Development of Alternative Cu-Be Alloys

    DTIC Science & Technology

    2012-08-01

    Be alloy replacement in highly loaded wear applications . ● Development bushing designs for the enhancement of dynamic wear performance...Material Properties and Tribological Characterization Cu-Based and Co- Based Alloy Concept Selection Requirements Definition Bushing Design and...properties and cost for highly loaded bushing applications ● QuesTek’s NAVAIR-funded SBIR Phase II program demonstrated the feasibility of designing Be-free

  15. A decision-based perspective for the design of methods for systems design

    NASA Technical Reports Server (NTRS)

    Mistree, Farrokh; Muster, Douglas; Shupe, Jon A.; Allen, Janet K.

    1989-01-01

    Organization of material, a definition of decision based design, a hierarchy of decision based design, the decision support problem technique, a conceptual model design that can be manufactured and maintained, meta-design, computer-based design, action learning, and the characteristics of decisions are among the topics covered.

  16. The Effectiveness of Interactive Computer Assisted Modeling in Teaching Study Strategies and Concept Mapping of College Textbook Material.

    ERIC Educational Resources Information Center

    Mikulecky, Larry

    A study evaluated the effectiveness of a series of print materials and interactive computer-guided study programs designed to lead undergraduate students to apply basic textbook reading and concept mapping strategies to the study of science and social science textbooks. Following field testing with 25 learning skills students, 50 freshman biology…

  17. NASA Tech Briefs, March 1994. Volume 18, No. 3

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports

  18. NASA Tech Briefs, March 2000. Volume 24, No. 3

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  19. NASA Tech Briefs, March 1997. Volume 21, No. 3

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  20. High-throughput search for caloric materials: the CaloriCool approach

    NASA Astrophysics Data System (ADS)

    Zarkevich, N. A.; Johnson, D. D.; Pecharsky, V. K.

    2018-01-01

    The high-throughput search paradigm adopted by the newly established caloric materials consortium—CaloriCool®—with the goal to substantially accelerate discovery and design of novel caloric materials is briefly discussed. We begin with describing material selection criteria based on known properties, which are then followed by heuristic fast estimates, ab initio calculations, all of which has been implemented in a set of automated computational tools and measurements. We also demonstrate how theoretical and computational methods serve as a guide for experimental efforts by considering a representative example from the field of magnetocaloric materials.

  1. High-throughput search for caloric materials: the CaloriCool approach

    DOE PAGES

    Zarkevich, Nikolai A.; Johnson, Duane D.; Pecharsky, V. K.

    2017-12-13

    The high-throughput search paradigm adopted by the newly established caloric materials consortium—CaloriCool ®—with the goal to substantially accelerate discovery and design of novel caloric materials is briefly discussed. Here, we begin with describing material selection criteria based on known properties, which are then followed by heuristic fast estimates, ab initio calculations, all of which has been implemented in a set of automated computational tools and measurements. We also demonstrate how theoretical and computational methods serve as a guide for experimental efforts by considering a representative example from the field of magnetocaloric materials.

  2. Help Options and Multimedia Listening: Students' Use of Subtitles and the Transcript

    ERIC Educational Resources Information Center

    Grgurovic, Maja; Hegelheimer, Volker

    2007-01-01

    As multimedia language learning materials become prevalent in foreign and second language classrooms, their design is an important avenue of research in Computer-Assisted Language Learning (CALL). Some argue that the design of the pedagogical materials should be informed by theory such as the interactionist SLA theory, which suggests that input…

  3. Materials for Digital Optical Design:. a Survey Study

    NASA Astrophysics Data System (ADS)

    Ismail, Ayman Abdel Khader; Ismail, Imane Aly Saroit; Ahmed, S. H.

    2010-04-01

    In the last few years digital optical design had major attention in research fields. Many researches were published in the fields of optical materials, instruments, circuit design and devices. This is considered to be the most multidisciplinary field and requires for its success collaborative efforts of many disciplines, ranging from device and optical engineers to computer architects, chemists, material scientists, and optical physicists. In this study we will introduce a survey of the latest papers in the field of optical materials and its properties for light; this paper is organized in three major sections, optical glasses, compound materials and nonlinear absorption (multi photon absorption) and up-conversion.

  4. A Computer-Based Laboratory Project for the Study of Stimulus Generalization and Peak Shift

    ERIC Educational Resources Information Center

    Derenne, Adam; Loshek, Eevett

    2009-01-01

    This paper describes materials designed for classroom projects on stimulus generalization and peak shift. A computer program (originally written in QuickBASIC) is used for data collection and a Microsoft Excel file with macros organizes the raw data on a spreadsheet and creates generalization gradients. The program is designed for use with human…

  5. Human Factors in the Design of a Computer-Assisted Instruction System. Technical Progress Report.

    ERIC Educational Resources Information Center

    Mudge, J. C.

    A research project built an author-controlled computer-assisted instruction (CAI) system to study ease-of-use factors in student-system, author-system, and programer-system interfaces. Interfaces were designed and observed in use and systematically revised. Development of course material by authors, use by students, and administrative tasks were…

  6. Materials Science Research | Materials Science | NREL

    Science.gov Websites

    Structure Theory We use high-performance computing to design and discover materials for energy, and to study structure of surfaces and critical interfaces. Images of red and yellow particles Materials Discovery Our by traditional targeted experiments. Photo of a stainless steel piece of equipment with multiple

  7. Computer control of a scanning electron microscope for digital image processing of thermal-wave images

    NASA Technical Reports Server (NTRS)

    Gilbert, Percy; Jones, Robert E.; Kramarchuk, Ihor; Williams, Wallace D.; Pouch, John J.

    1987-01-01

    Using a recently developed technology called thermal-wave microscopy, NASA Lewis Research Center has developed a computer controlled submicron thermal-wave microscope for the purpose of investigating III-V compound semiconductor devices and materials. This paper describes the system's design and configuration and discusses the hardware and software capabilities. Knowledge of the Concurrent 3200 series computers is needed for a complete understanding of the material presented. However, concepts and procedures are of general interest.

  8. Turned on to Language Arts: Computer Literacy in the Primary Grades.

    ERIC Educational Resources Information Center

    Guthrie, Larry F.; Richardson, Susan

    1995-01-01

    Describes Apple Computer's Early Language Connections (ELC) program. Designed for K-2 grades, ELC integrates Macintosh computers, children's literature, instructional software, and other curriculum materials, including sample lessons constructed around thematic units. The literature-based product uses a whole-language approach (with phonics…

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Crabtree, George; Glotzer, Sharon; McCurdy, Bill

    This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. Newmore » materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of 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 brought together 160 experts in materials science, chemistry, and computational science representing more than 65 universities, laboratories, and industries, and four agencies. The workshop examined seven foundational challenge areas in materials science and chemistry: materials for extreme conditions, self-assembly, light harvesting, chemical reactions, designer fluids, thin films and interfaces, and electronic structure. Each of these challenge areas is critical to the development of advanced energy systems, and each can be accelerated by the integrated application of predictive capability with theory and experiment. The workshop concluded that emerging capabilities in predictive modeling and simulation have the potential to revolutionize the development of new materials and chemical processes. Coupled with world-leading materials characterization and nanoscale science facilities, this predictive capability provides the foundation for an innovation ecosystem that can accelerate the discovery, development, and deployment of new technologies, including advanced energy systems. Delivering on the promise of this innovation ecosystem requires the following: Integration of synthesis, processing, characterization, theory, and simulation and modeling. Many of the newly established Energy Frontier Research Centers and Energy Hubs are exploiting this integration. Achieving/strengthening predictive capability in foundational challenge areas. Predictive capability in the seven foundational challenge areas described in this report is critical to the development of advanced energy technologies. Developing validated computational approaches that span vast differences in time and length scales. This fundamental computational challenge crosscuts all of the foundational challenge areas. Similarly challenging is coupling of analytical data from multiple instruments and techniques that are required to link these length and time scales. Experimental validation and quantification of uncertainty in simulation and modeling. Uncertainty quantification becomes increasingly challenging as simulations become more complex. Robust and sustainable computational infrastructure, including software and applications. For modeling and simulation, software equals infrastructure. To validate the computational tools, software is critical infrastructure that effectively translates huge arrays of experimental data into useful scientific understanding. An integrated approach for managing this infrastructure is essential. Efficient transfer and incorporation of simulation-based engineering and science in industry. Strategies for bridging the gap between research and industrial applications and for widespread industry adoption of integrated computational materials engineering are needed.« less

  10. NASA Tech Briefs, July 1994. Volume 18, No. 7

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports

  11. NASA Tech Briefs, November 2000. Volume 24, No. 11

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Data Acquisition.

  12. NASA Tech Briefs, April 1996. Volume 20, No. 4

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics covered include: Advanced Composites and Plastics; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information; Books and Reports.

  13. NASA Tech Briefs, October 1994. Volume 18, No. 10

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics: Data Acquisition and Analysis; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports

  14. A novel design solution to the fraenal notch of maxillary dentures.

    PubMed

    White, J A P; Bond, I P; Jagger, D C

    2013-09-01

    This study investigates a novel design feature for the fraenal notch of maxillary dentures, using computational and experimental methods, and shows that its use could significantly increase the longevity of the prosthesis. A two-step process can be used to create the design feature with current denture base materials, but would be highly dependent on the individual skill of the dental technician. Therefore, an alternative form of manufacture, multi-material additive layer manufacture (or '3D printing'), has been proposed as a future method for the direct production of complete dentures with multi-material design features.

  15. Computer aided flexible envelope designs

    NASA Technical Reports Server (NTRS)

    Resch, R. D.

    1975-01-01

    Computer aided design methods are presented for the design and construction of strong, lightweight structures which require complex and precise geometric definition. The first, flexible structures, is a unique system of modeling folded plate structures and space frames. It is possible to continuously vary the geometry of a space frame to produce large, clear spans with curvature. The second method deals with developable surfaces, where both folding and bending are explored with the observed constraint of available building materials, and what minimal distortion result in maximum design capability. Alternative inexpensive fabrication techniques are being developed to achieve computer defined enclosures which are extremely lightweight and mathematically highly precise.

  16. NREL to Lead New Consortium to Develop Advanced Water Splitting Materials

    Science.gov Websites

    said. "Our research strategy integrates computational tools and modeling, material synthesis needs, such as high-throughput synthesis techniques and auxiliary component design. HydroGEN is the

  17. Design and Implementation of Practical Bidirectional Texture Function Measurement Devices Focusing on the Developments at the University of Bonn

    PubMed Central

    Schwartz, Christopher; Sarlette, Ralf; Weinmann, Michael; Rump, Martin; Klein, Reinhard

    2014-01-01

    Understanding as well as realistic reproduction of the appearance of materials play an important role in computer graphics, computer vision and industry. They enable applications such as digital material design, virtual prototyping and faithful virtual surrogates for entertainment, marketing, education or cultural heritage documentation. A particularly fruitful way to obtain the digital appearance is the acquisition of reflectance from real-world material samples. Therefore, a great variety of devices to perform this task has been proposed. In this work, we investigate their practical usefulness. We first idey a set of necessary attributes and establish a general categorization of different designs that have been realized. Subsequently, we provide an in-depth discussion of three particular implementations by our work group, demonstrating advantages and disadvantages of different system designs with respect to the previously established attributes. Finally, we survey the existing literature to compare our implementation with related approaches. PMID:24787638

  18. Giga-voxel computational morphogenesis for structural design

    NASA Astrophysics Data System (ADS)

    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.

  19. Giga-voxel computational morphogenesis for structural design.

    PubMed

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

    2017-10-04

    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.

  20. Surgical Tooth Implants, Combat and Field.

    DTIC Science & Technology

    1979-12-01

    conventional dental materials, usually gold. Roots are produced by grinding bisque fired alumina stock on a computer controlled milling machine. This...post and core and crown) are conventional dental materials, usually gold. Roots are produced by grinding bisque fired alumina stock on a computer...of dental implants have evolved. These devices are designed to be rigidly affixed by bone ingrowth and provide minimization of stress usually by

  1. Elementary Computer Literacy. Student Activity Handbook.

    ERIC Educational Resources Information Center

    Sather, Ruth; And Others

    This workbook of ideas and activities is designed for use in correlation with the curriculum guide "Elementary Computer Literacy," which contains the answer key and suggestions for use. The Apple II microcomputer is used as an example, but the material is adaptable to other computer models. Varied activities provide practice in drawing,…

  2. Computer Art--A New Tool in Advertising Graphics.

    ERIC Educational Resources Information Center

    Wassmuth, Birgit L.

    Using computers to produce art began with scientists, mathematicians, and individuals with strong technical backgrounds who used the graphic material as visualizations of data in technical fields. People are using computer art in advertising, as well as in painting; sculpture; music; textile, product, industrial, and interior design; architecture;…

  3. System for Computer Automated Typesetting (SCAT) of Computer Authored Texts.

    ERIC Educational Resources Information Center

    Keeler, F. Laurence

    This description of the System for Automated Typesetting (SCAT), an automated system for typesetting text and inserting special graphic symbols in programmed instructional materials created by the computer aided authoring system AUTHOR, provides an outline of the design architecture of the system and an overview including the component…

  4. Efficacy of CM-Wire, M-Wire, and Nickel-Titanium Instruments for Removing Filling Material from Curved Root Canals: A Micro-Computed Tomography Study.

    PubMed

    Rodrigues, Clarissa Teles; Duarte, Marco Antonio Hungaro; de Almeida, Marcela Milanezi; de Andrade, Flaviana Bombarda; Bernardineli, Norberti

    2016-11-01

    The aim of this ex vivo study was to evaluate the removal of filling material after using CM-wire, M-wire, and nickel-titanium instruments in both reciprocating and rotary motions in curved canals. Thirty maxillary lateral incisors were divided into 9 groups according to retreatment procedures: Reciproc R25 followed by Mtwo 40/.04 and ProDesign Logic 50/.01 files; ProDesign R 25/.06 followed by ProDesign Logic 40/.05 and ProDesign Logic 50/.01 files; and Gates-Glidden drills, Hedström files, and K-files up to apical size 30 followed by K-file 40 and K-file 50 up to the working length. Micro-computed tomography scans were performed before and after each reinstrumentation procedure to evaluate root canal filling removal. Statistical analysis was performed with Kruskal-Wallis, Friedman, and Wilcoxon tests (P < .05). No significant differences in filling material removal were found in the 3 groups of teeth. The use of Mtwo and ProDesign Logic 40/.05 rotary files did not enhance filling material removal after the use of reciprocating files. The use of ProDesign Logic 50/.01 files significantly reduced the amount of filling material at the apical levels compared with the use of reciprocating files. Association of reciprocating and rotary files was capable of removing a large amount of filling material in the retreatment of curved canals, irrespective of the type of alloy of the instruments. The use of a ProDesign Logic 50/.01 file for apical preparation significantly reduced the amount of remnant material in the apical portion when compared with reciprocating instruments. Copyright © 2016 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  5. A computational workflow for designing silicon donor qubits

    DOE PAGES

    Humble, Travis S.; Ericson, M. Nance; Jakowski, Jacek; ...

    2016-09-19

    Developing devices that can reliably and accurately demonstrate the principles of superposition and entanglement is an on-going challenge for the quantum computing community. Modeling and simulation offer attractive means of testing early device designs and establishing expectations for operational performance. However, the complex integrated material systems required by quantum device designs are not captured by any single existing computational modeling method. We examine the development and analysis of a multi-staged computational workflow that can be used to design and characterize silicon donor qubit systems with modeling and simulation. Our approach integrates quantum chemistry calculations with electrostatic field solvers to performmore » detailed simulations of a phosphorus dopant in silicon. We show how atomistic details can be synthesized into an operational model for the logical gates that define quantum computation in this particular technology. In conclusion, the resulting computational workflow realizes a design tool for silicon donor qubits that can help verify and validate current and near-term experimental devices.« less

  6. Combining density functional theory calculations, supercomputing, and data-driven methods to design new materials (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Jain, Anubhav

    2017-04-01

    Density functional theory (DFT) simulations solve for the electronic structure of materials starting from the Schrödinger equation. Many case studies have now demonstrated that researchers can often use DFT to design new compounds in the computer (e.g., for batteries, catalysts, and hydrogen storage) before synthesis and characterization in the lab. In this talk, I will focus on how DFT calculations can be executed on large supercomputing resources in order to generate very large data sets on new materials for functional applications. First, I will briefly describe the Materials Project, an effort at LBNL that has virtually characterized over 60,000 materials using DFT and has shared the results with over 17,000 registered users. Next, I will talk about how such data can help discover new materials, describing how preliminary computational screening led to the identification and confirmation of a new family of bulk AMX2 thermoelectric compounds with measured zT reaching 0.8. I will outline future plans for how such data-driven methods can be used to better understand the factors that control thermoelectric behavior, e.g., for the rational design of electronic band structures, in ways that are different from conventional approaches.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Weizhao; Ren, Huaqing; Wang, Zequn

    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 characterizemore » 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.« less

  8. Computer-aided design comparisons of monolithic and hybrid MEM-tunable VCSELs

    NASA Astrophysics Data System (ADS)

    Ochoa, Edward M.; Nelson, Thomas R., Jr.; Blum-Spahn, Olga; Lott, James A.

    2003-07-01

    We report and use our micro-electro-mechanically tunable vertical cavity surface emitting laser (MEM-TVCSEL) computer-aided design methodology to investigate the resonant frequency design space for monolithic and hybrid MEM-TVCSELs. For various initial optical air gap thickness, we examine the sensitivity of monolithic or hybrid MEM-TVCSEL resonant frequency by simulating zero, two, and four percent variations in III-V material growth thickness. As expected, as initial optical airgap increases, tuning range decreases due to less coupling between the active region and the tuning mirror. However, each design has different resonant frequency sensitivity to variations in III-V growth parameters. In particular, since the monolithic design is comprised of III-V material, the shift in all growth thicknesses significantly shifts the resonant frequency response. However, for hybrid MEMTVCSELs, less shift results, since the lower reflector is an Au mirror with reflectivity independent of III-V growth variations. Finally, since the hybrid design is comprised of a MUMPS polysilicon mechanical actuator, pull-in voltage remains independent of the initial optical airgap between the tuning reflector and the III-V material. Conversely, as the initial airgap increases in the monolithic design, the pull-in voltage significantly increases.

  9. Advances on the constitutive characterization of composites via multiaxial robotic testing and design optimization

    Treesearch

    John G. Michopoulos; John Hermanson; Athanasios Iliopoulos

    2014-01-01

    The research areas of mutiaxial robotic testing and design optimization have been recently utilized for the purpose of data-driven constitutive characterization of anisotropic material systems. This effort has been enabled by both the progress in the areas of computers and information in engineering as well as the progress in computational automation. Although our...

  10. NASA Tech Briefs, March 1998. Volume 22, No. 3

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Topics include: special coverage of computer aided design and engineering, electronic components and circuits, electronic systems, physical sciences, materials, computer software, special coverage on mechanical technology, machinery/automation, manufacturing/fabrication, mathematics and information sciences, book and reports, and a special section of Electronics Tech Briefs. Profiles of the exhibitors at the National Design Engineering show are also included in this issue.

  11. The Use of Instructional Simulations to Support Classroom Teaching: A Crisis Communication Case Study

    ERIC Educational Resources Information Center

    Shifflet, Mark; Brown, Jane

    2006-01-01

    The purpose of this study was to investigate how exposure to classroom instruction affected the use of a computer simulation that was designed to provide students an opportunity to apply material presented in class. The study involved an analysis of a computer-based crisis communication case study designed for a college-level public relations…

  12. Engineering Technology Education Bibliography, 1990.

    ERIC Educational Resources Information Center

    Dyrud, Marilyn A.

    1991-01-01

    Lists over 340 materials published in 1990 related to engineering technology education and grouped under the following headings: administration; architectural; computer-assisted design/management (CAD/CAM); civil; computers; curriculum; electrical/electronics; industrial; industry/government/employers; instructional technology; laboratories;…

  13. A polymer dataset for accelerated property prediction and design.

    PubMed

    Huan, Tran Doan; Mannodi-Kanakkithodi, Arun; Kim, Chiho; Sharma, Vinit; Pilania, Ghanshyam; Ramprasad, Rampi

    2016-03-01

    Emerging computation- and data-driven approaches are particularly useful for rationally designing materials with targeted properties. Generally, these approaches rely on identifying structure-property relationships by learning from a dataset of sufficiently large number of relevant materials. The learned information can then be used to predict the properties of materials not already in the dataset, thus accelerating the materials design. Herein, we develop a dataset of 1,073 polymers and related materials and make it available at http://khazana.uconn.edu/. This dataset is uniformly prepared using first-principles calculations with structures obtained either from other sources or by using structure search methods. Because the immediate target of this work is to assist the design of high dielectric constant polymers, it is initially designed to include the optimized structures, atomization energies, band gaps, and dielectric constants. It will be progressively expanded by accumulating new materials and including additional properties calculated for the optimized structures provided.

  14. Analysis of multiple activity manual materials handling tasks using A Guide to Manual Materials Handling.

    PubMed

    Mital, A

    1999-01-01

    Manual handling of materials continues to be a hazardous activity, leading to a very significant number of severe overexertion injuries. Designing jobs that are within the physical capabilities of workers is one approach ergonomists have adopted to redress this problem. As a result, several job design procedures have been developed over the years. However, these procedures are limited to designing or evaluating only pure lifting jobs or only the lifting aspect of a materials handling job. This paper describes a general procedure that may be used to design or analyse materials handling jobs that involve several different kinds of activities (e.g. lifting, lowering, carrying, pushing, etc). The job design/analysis procedure utilizes an elemental approach (breaking the job into elements) and relies on databases provided in A Guide to Manual Materials Handling to compute associated risk factors. The use of the procedure is demonstrated with the help of two case studies.

  15. Applying ``intelligent`` materials for materials education: The Labless Lab{trademark}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Andrade, J.D.; Scheer, R.

    1994-12-31

    A very large number of science and engineering courses taught in colleges and universities today do not involve laboratories. Although good instructors incorporate class demonstrations, hands on homework, and various teaching aids, including computer simulations, the fact is that students in such courses often accept key concepts and experimental results without discovering them for themselves. The only partial solution to this problem has been increasing use of class demonstrations and computer simulations. The authors feel strongly that many complex concepts can be observed and assimilated through experimentation with properly designed materials. They propose the development of materials and specimens designedmore » specifically for education purposes. Intelligent and communicative materials are ideal for this purpose. Specimens which respond in an observable fashion to new environments and situations provided by the students/experimenter provide a far more effective materials science and engineering experience than readouts and data generated by complex and expensive machines, particularly in an introductory course. Modern materials can be designed to literally communicate with the observer. The authors embarked on a project to develop a series of Labless Labs{trademark} utilizing various degrees and levels of intelligence in materials. It is expected that such Labless Labs{trademark} would be complementary to textbooks and computer simulations and to be used to provide a reality for students in courses and other learning situations where access to a laboratory is non-existent or limited.« less

  16. Analysing and Rationalising Molecular and Materials Databases Using Machine-Learning

    NASA Astrophysics Data System (ADS)

    de, Sandip; Ceriotti, Michele

    Computational materials design promises to greatly accelerate the process of discovering new or more performant materials. Several collaborative efforts are contributing to this goal by building databases of structures, containing between thousands and millions of distinct hypothetical compounds, whose properties are computed by high-throughput electronic-structure calculations. The complexity and sheer amount of information has made manual exploration, interpretation and maintenance of these databases a formidable challenge, making it necessary to resort to automatic analysis tools. Here we will demonstrate how, starting from a measure of (dis)similarity between database items built from a combination of local environment descriptors, it is possible to apply hierarchical clustering algorithms, as well as dimensionality reduction methods such as sketchmap, to analyse, classify and interpret trends in molecular and materials databases, as well as to detect inconsistencies and errors. Thanks to the agnostic and flexible nature of the underlying metric, we will show how our framework can be applied transparently to different kinds of systems ranging from organic molecules and oligopeptides to inorganic crystal structures as well as molecular crystals. Funded by National Center for Computational Design and Discovery of Novel Materials (MARVEL) and Swiss National Science Foundation.

  17. Alloy design for aircraft engines

    NASA Astrophysics Data System (ADS)

    Pollock, Tresa M.

    2016-08-01

    Metallic materials are fundamental to advanced aircraft engines. While perceived as mature, emerging computational, experimental and processing innovations are expanding the scope for discovery and implementation of new metallic materials for future generations of advanced propulsion systems.

  18. Novel tools for accelerated materials discovery in the AFLOWLIB.ORG repository: breakthroughs and challenges in the mapping of the materials genome

    NASA Astrophysics Data System (ADS)

    Buongiorno Nardelli, Marco

    2015-03-01

    High-Throughput Quantum-Mechanics computation of materials properties by ab initio methods has become the foundation of an effective approach to materials design, discovery and characterization. This data driven approach to materials science currently presents the most promising path to the development of advanced technological materials that could solve or mitigate important social and economic challenges of the 21st century. In particular, the rapid proliferation of computational data on materials properties presents the possibility to complement and extend materials property databases where the experimental data is lacking and difficult to obtain. Enhanced repositories such as AFLOWLIB, open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various properties. The practical realization of these opportunities depends on the the design effcient algorithms for electronic structure simulations of realistic material systems, the systematic compilation and classification of the generated data, and its presentation in easily accessed form to the materials science community, the primary mission of the AFLOW consortium. This work was supported by ONR-MURI under Contract N00014-13-1-0635 and the Duke University Center for Materials Genomics.

  19. Stepping into the omics era: Opportunities and challenges for biomaterials science and engineering☆

    PubMed Central

    Rabitz, Herschel; Welsh, William J.; Kohn, Joachim; de Boer, Jan

    2016-01-01

    The research paradigm in biomaterials science and engineering is evolving from using low-throughput and iterative experimental designs towards high-throughput experimental designs for materials optimization and the evaluation of materials properties. Computational science plays an important role in this transition. With the emergence of the omics approach in the biomaterials field, referred to as materiomics, high-throughput approaches hold the promise of tackling the complexity of materials and understanding correlations between material properties and their effects on complex biological systems. The intrinsic complexity of biological systems is an important factor that is often oversimplified when characterizing biological responses to materials and establishing property-activity relationships. Indeed, in vitro tests designed to predict in vivo performance of a given biomaterial are largely lacking as we are not able to capture the biological complexity of whole tissues in an in vitro model. In this opinion paper, we explain how we reached our opinion that converging genomics and materiomics into a new field would enable a significant acceleration of the development of new and improved medical devices. The use of computational modeling to correlate high-throughput gene expression profiling with high throughput combinatorial material design strategies would add power to the analysis of biological effects induced by material properties. We believe that this extra layer of complexity on top of high-throughput material experimentation is necessary to tackle the biological complexity and further advance the biomaterials field. PMID:26876875

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

    NASA Astrophysics Data System (ADS)

    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.

  1. The vehicle design evaluation program - A computer-aided design procedure for transport aircraft

    NASA Technical Reports Server (NTRS)

    Oman, B. H.; Kruse, G. S.; Schrader, O. E.

    1977-01-01

    The vehicle design evaluation program is described. This program is a computer-aided design procedure that provides a vehicle synthesis capability for vehicle sizing, external load analysis, structural analysis, and cost evaluation. The vehicle sizing subprogram provides geometry, weight, and balance data for aircraft using JP, hydrogen, or methane fuels. The structural synthesis subprogram uses a multistation analysis for aerodynamic surfaces and fuselages to develop theoretical weights and geometric dimensions. The parts definition subprogram uses the geometric data from the structural analysis and develops the predicted fabrication dimensions, parts material raw stock buy requirements, and predicted actual weights. The cost analysis subprogram uses detail part data in conjunction with standard hours, realization factors, labor rates, and material data to develop the manufacturing costs. The program is used to evaluate overall design effects on subsonic commercial type aircraft due to parameter variations.

  2. Probabilistic design of fibre concrete structures

    NASA Astrophysics Data System (ADS)

    Pukl, R.; Novák, D.; Sajdlová, T.; Lehký, D.; Červenka, J.; Červenka, V.

    2017-09-01

    Advanced computer simulation is recently well-established methodology for evaluation of resistance of concrete engineering structures. The nonlinear finite element analysis enables to realistically predict structural damage, peak load, failure, post-peak response, development of cracks in concrete, yielding of reinforcement, concrete crushing or shear failure. The nonlinear material models can cover various types of concrete and reinforced concrete: ordinary concrete, plain or reinforced, without or with prestressing, fibre concrete, (ultra) high performance concrete, lightweight concrete, etc. Advanced material models taking into account fibre concrete properties such as shape of tensile softening branch, high toughness and ductility are described in the paper. Since the variability of the fibre concrete material properties is rather high, the probabilistic analysis seems to be the most appropriate format for structural design and evaluation of structural performance, reliability and safety. The presented combination of the nonlinear analysis with advanced probabilistic methods allows evaluation of structural safety characterized by failure probability or by reliability index respectively. Authors offer a methodology and computer tools for realistic safety assessment of concrete structures; the utilized approach is based on randomization of the nonlinear finite element analysis of the structural model. Uncertainty of the material properties or their randomness obtained from material tests are accounted in the random distribution. Furthermore, degradation of the reinforced concrete materials such as carbonation of concrete, corrosion of reinforcement, etc. can be accounted in order to analyze life-cycle structural performance and to enable prediction of the structural reliability and safety in time development. The results can serve as a rational basis for design of fibre concrete engineering structures based on advanced nonlinear computer analysis. The presented methodology is illustrated on results from two probabilistic studies with different types of concrete structures related to practical applications and made from various materials (with the parameters obtained from real material tests).

  3. Propulsion/flight control integration technology (PROFIT) software system definition

    NASA Technical Reports Server (NTRS)

    Carlin, C. M.; Hastings, W. J.

    1978-01-01

    The Propulsion Flight Control Integration Technology (PROFIT) program is designed to develop a flying testbed dedicated to controls research. The control software for PROFIT is defined. Maximum flexibility, needed for long term use of the flight facility, is achieved through a modular design. The Host program, processes inputs from the telemetry uplink, aircraft central computer, cockpit computer control and plant sensors to form an input data base for use by the control algorithms. The control algorithms, programmed as application modules, process the input data to generate an output data base. The Host program formats the data for output to the telemetry downlink, the cockpit computer control, and the control effectors. Two applications modules are defined - the bill of materials F-100 engine control and the bill of materials F-15 inlet control.

  4. NASA Tech Briefs, July 2000. Volume 24, No. 7

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics covered include: Data Acquisition; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  5. Computer-Enriched Instruction (CEI) Is Better for Preview Material Instead of Review Material: An Example of a Biostatistics Chapter, the Central Limit Theorem

    ERIC Educational Resources Information Center

    See, Lai-Chu; Huang, Yu-Hsun; Chang, Yi-Hu; Chiu, Yeo-Ju; Chen, Yi-Fen; Napper, Vicki S.

    2010-01-01

    This study examines the timing using computer-enriched instruction (CEI), before or after a traditional lecture to determine cross-over effect, period effect, and learning effect arising from sequencing of instruction. A 2 x 2 cross-over design was used with CEI to teach central limit theorem (CLT). Two sequences of graduate students in nursing…

  6. Stochastic Multiscale Analysis and Design of Engine Disks

    DTIC Science & Technology

    2010-07-28

    shown recently to fail when used with data-driven non-linear stochastic input models (KPCA, IsoMap, etc.). Need for scalable exascale computing algorithms Materials Process Design and Control Laboratory Cornell University

  7. Academic Computing at Florida A&M University. A Case Study.

    ERIC Educational Resources Information Center

    Hunter, Beverly; Kearsley, Greg

    This case study is one of a series on academic computing at minority institutions which is designed to assist educators at other such institutions in identifying academic computing needs, establishing realistic goals, organizing a staff, and selecting materials. Following a brief description of the purpose and background of the overall study, the…

  8. Computer Education Curriculum. Connecticut Vocational Technical School System. Version 4.

    ERIC Educational Resources Information Center

    Kittell, Linda; Walczak, Joseph

    This computer education curriculum is designed specifically for Connecticut's Regional Vocational Technical Schools' grade 9 computer education course. Each of the 24 lessons is expected to cover at least one class period of 50 minutes. Introductory materials include a listing of course goals and objectives, an outline of sequence and scope via…

  9. Learning Disabilities and the Auditory and Visual Matching Computer Program

    ERIC Educational Resources Information Center

    Tormanen, Minna R. K.; Takala, Marjatta; Sajaniemi, Nina

    2008-01-01

    This study examined whether audiovisual computer training without linguistic material had a remedial effect on different learning disabilities, like dyslexia and ADD (Attention Deficit Disorder). This study applied a pre-test-intervention-post-test design with students (N = 62) between the ages of 7 and 19. The computer training lasted eight weeks…

  10. Multi-paradigm simulation at nanoscale: Methodology and application to functional carbon material

    NASA Astrophysics Data System (ADS)

    Su, Haibin

    2012-12-01

    Multiparadigm methods to span the scales from quantum mechanics to practical issues of functional nanoassembly and nanofabrication are enabling first principles predictions to guide and complement the experimental developments by designing and optimizing computationally the materials compositions and structures to assemble nanoscale systems with the requisite properties. In this talk, we employ multi-paradigm approaches to investigate functional carbon materials with versatile character, including fullerene, carbon nanotube (CNT), graphene, and related hybrid structures, which have already created an enormous impact on next generation nano devices. The topics will cover the reaction dynamics of C60 dimerization and the more challenging complex tubular fullerene formation process in the peapod structures; the computational design of a new generation of peapod nano-oscillators, the predicted magnetic state in Nano Buds; opto-electronic properties of graphene nanoribbons; and disorder / vibronic effects on transport in carbonrich materials.

  11. Design of advanced beams considering elasto-plastic behaviour of material

    NASA Astrophysics Data System (ADS)

    Tolun, S.

    1992-10-01

    The paper proposes a computational procedure for precise calculation of limit and ultimate or design loads, which must be carried by an advanced aviation beam, without permanent distortion and without rupture. Among several stress-strain curve representations, one that is suitable for a particular material is chosen for applied loads, yield, and failure load calculations, and then nonlinear analysis is performed.

  12. Computer Assisted Educational Material Preparation for Fourth Grade Primary School Students' English Language Class in Teaching Numbers

    ERIC Educational Resources Information Center

    Yüzen, Abdulkadir; Karamete, Aysen

    2016-01-01

    In this study, using ADDIE instructional design model, it is aimed to prepare English language educational material for 4th grade primary students to teach them numbers. At the same time, ARCS model of motivation's attention, relevance and satisfaction phases are also taken into consideration. This study also comprises of Design Based Research…

  13. Active Control Technology at NASA Langley Research Center

    NASA Technical Reports Server (NTRS)

    Antcliff, Richard R.; McGowan, Anna-Marie R.

    2000-01-01

    NASA Langley has a long history of attacking important technical opportunities from a broad base of supporting disciplines. The research and development at Langley in this subject area range from the test tube to the test flight. The information covered here will range from the development of innovative new materials, sensors and actuators, to the incorporation of smart sensors and actuators in practical devices, to the optimization of the location of these devices, to, finally, a wide variety of applications of these devices utilizing Langley's facilities and expertise. Advanced materials are being developed for sensors and actuators, as well as polymers for integrating smart devices into composite structures. Contributions reside in three key areas: computational materials; advanced piezoelectric materials; and integrated composite structures. The computational materials effort is focused on developing predictive tools for the efficient design of new materials with the appropriate combination of properties for next generation smart airframe systems. Research in the area of advanced piezoelectrics includes optimizing the efficiency, force output, use temperature, and energy transfer between the structure and device for both ceramic and polymeric materials. For structural health monitoring, advanced non-destructive techniques including fiber optics are being developed for detection of delaminations, cracks and environmental deterioration in aircraft structures. The computational materials effort is focused on developing predictive tools for the efficient design of new materials with the appropriate combination of properties for next generation smart airframe system. Innovative fabrication techniques processing structural composites with sensor and actuator integration are being developed.

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

    NASA Astrophysics Data System (ADS)

    Christian, Wolfgang

    2017-01-01

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

  15. Perspective: Evolutionary design of granular media and block copolymer patterns

    NASA Astrophysics Data System (ADS)

    Jaeger, Heinrich M.; de Pablo, Juan J.

    2016-05-01

    The creation of new materials "by design" is a process that starts from desired materials properties and proceeds to identify requirements for the constituent components. Such process is challenging because it inverts the typical modeling approach, which starts from given micro-level components to predict macro-level properties. We describe how to tackle this inverse problem using concepts from evolutionary computation. These concepts have widespread applicability and open up new opportunities for design as well as discovery. Here we apply them to design tasks involving two very different classes of soft materials, shape-optimized granular media and nanopatterned block copolymer thin films.

  16. Computer Aided Instruction for a Course in Boolean Algebra and Logic Design. Final Report (Revised).

    ERIC Educational Resources Information Center

    Roy, Rob

    The use of computers to prepare deficient college and graduate students for courses that build upon previously acquired information would solve the growing problem of professors who must spend up to one third of their class time in review of material. But examination of students who were taught Boolean Algebra and Logic Design by means of Computer…

  17. Computer Aided Design in FE. Some Suggestions on the Inclusion of CAD Topics in Mechanical Engineering Courses. An Occasional Paper.

    ERIC Educational Resources Information Center

    Ingham, P. C.

    This report investigates the feasibility of including computer aided design (CAD) materials in engineering courses. Section 1 briefly discusses the inevitability of CAD being adopted widely by British industry and the consequent need for its inclusion in engineering syllabi at all levels. A short description of what is meant by CAD follows in…

  18. Efficiently mapping structure-property relationships of gas adsorption in porous materials: application to Xe adsorption.

    PubMed

    Kaija, A R; Wilmer, C E

    2017-09-08

    Designing better porous materials for gas storage or separations applications frequently leverages known structure-property relationships. Reliable structure-property relationships, however, only reveal themselves when adsorption data on many porous materials are aggregated and compared. Gathering enough data experimentally is prohibitively time consuming, and even approaches based on large-scale computer simulations face challenges. Brute force computational screening approaches that do not efficiently sample the space of porous materials may be ineffective when the number of possible materials is too large. Here we describe a general and efficient computational method for mapping structure-property spaces of porous materials that can be useful for adsorption related applications. We describe an algorithm that generates random porous "pseudomaterials", for which we calculate structural characteristics (e.g., surface area, pore size and void fraction) and also gas adsorption properties via molecular simulations. Here we chose to focus on void fraction and Xe adsorption at 1 bar, 5 bar, and 10 bar. The algorithm then identifies pseudomaterials with rare combinations of void fraction and Xe adsorption and mutates them to generate new pseudomaterials, thereby selectively adding data only to those parts of the structure-property map that are the least explored. Use of this method can help guide the design of new porous materials for gas storage and separations applications in the future.

  19. Computational predictions of zinc oxide hollow structures

    NASA Astrophysics Data System (ADS)

    Tuoc, Vu Ngoc; Huan, Tran Doan; Thao, Nguyen Thi

    2018-03-01

    Nanoporous materials are emerging as potential candidates for a wide range of technological applications in environment, electronic, and optoelectronics, to name just a few. Within this active research area, experimental works are predominant while theoretical/computational prediction and study of these materials face some intrinsic challenges, one of them is how to predict porous structures. We propose a computationally and technically feasible approach for predicting zinc oxide structures with hollows at the nano scale. The designed zinc oxide hollow structures are studied with computations using the density functional tight binding and conventional density functional theory methods, revealing a variety of promising mechanical and electronic properties, which can potentially find future realistic applications.

  20. Deterministic Computer-Controlled Polishing Process for High-Energy X-Ray Optics

    NASA Technical Reports Server (NTRS)

    Khan, Gufran S.; Gubarev, Mikhail; Speegle, Chet; Ramsey, Brian

    2010-01-01

    A deterministic computer-controlled polishing process for large X-ray mirror mandrels is presented. Using tool s influence function and material removal rate extracted from polishing experiments, design considerations of polishing laps and optimized operating parameters are discussed

  1. Lotus-on-chip: computer-aided design and 3D direct laser writing of bioinspired surfaces for controlling the wettability of materials and devices.

    PubMed

    Lantada, Andrés Díaz; Hengsbach, Stefan; Bade, Klaus

    2017-10-16

    In this study we present the combination of a math-based design strategy with direct laser writing as high-precision technology for promoting solid free-form fabrication of multi-scale biomimetic surfaces. Results show a remarkable control of surface topography and wettability properties. Different examples of surfaces inspired on the lotus leaf, which to our knowledge are obtained for the first time following a computer-aided design with this degree of precision, are presented. Design and manufacturing strategies towards microfluidic systems whose fluid driving capabilities are obtained just by promoting a design-controlled wettability of their surfaces, are also discussed and illustrated by means of conceptual proofs. According to our experience, the synergies between the presented computer-aided design strategy and the capabilities of direct laser writing, supported by innovative writing strategies to promote final size while maintaining high precision, constitute a relevant step forward towards materials and devices with design-controlled multi-scale and micro-structured surfaces for advanced functionalities. To our knowledge, the surface geometry of the lotus leaf, which has relevant industrial applications thanks to its hydrophobic and self-cleaning behavior, has not yet been adequately modeled and manufactured in an additive way with the degree of precision that we present here.

  2. CCARES: A computer algorithm for the reliability analysis of laminated CMC components

    NASA Technical Reports Server (NTRS)

    Duffy, Stephen F.; Gyekenyesi, John P.

    1993-01-01

    Structural components produced from laminated CMC (ceramic matrix composite) materials are being considered for a broad range of aerospace applications that include various structural components for the national aerospace plane, the space shuttle main engine, and advanced gas turbines. Specifically, these applications include segmented engine liners, small missile engine turbine rotors, and exhaust nozzles. Use of these materials allows for improvements in fuel efficiency due to increased engine temperatures and pressures, which in turn generate more power and thrust. Furthermore, this class of materials offers significant potential for raising the thrust-to-weight ratio of gas turbine engines by tailoring directions of high specific reliability. The emerging composite systems, particularly those with silicon nitride or silicon carbide matrix, can compete with metals in many demanding applications. Laminated CMC prototypes have already demonstrated functional capabilities at temperatures approaching 1400 C, which is well beyond the operational limits of most metallic materials. Laminated CMC material systems have several mechanical characteristics which must be carefully considered in the design process. Test bed software programs are needed that incorporate stochastic design concepts that are user friendly, computationally efficient, and have flexible architectures that readily incorporate changes in design philosophy. The CCARES (Composite Ceramics Analysis and Reliability Evaluation of Structures) program is representative of an effort to fill this need. CCARES is a public domain computer algorithm, coupled to a general purpose finite element program, which predicts the fast fracture reliability of a structural component under multiaxial loading conditions.

  3. Rational design of novel cathode materials in solid oxide fuel cells using first-principles simulations

    NASA Astrophysics Data System (ADS)

    Choi, YongMan; Lin, M. C.; Liu, Meilin

    The search for clean and renewable sources of energy represents one of the most vital challenges facing us today. Solid oxide fuel cells (SOFCs) are among the most promising technologies for a clean and secure energy future due to their high energy efficiency and excellent fuel flexibility (e.g., direct utilization of hydrocarbons or renewable fuels). To make SOFCs economically competitive, however, development of new materials for low-temperature operation is essential. Here we report our results on a computational study to achieve rational design of SOFC cathodes with fast oxygen reduction kinetics and rapid ionic transport. Results suggest that surface catalytic properties are strongly correlated with the bulk transport properties in several material systems with the formula of La 0.5Sr 0.5BO 2.75 (where B = Cr, Mn, Fe, or Co). The predictions seem to agree qualitatively with available experimental results on these materials. This computational screening technique may guide us to search for high-efficiency cathode materials for a new generation of SOFCs.

  4. Design of high temperature ceramic components against fast fracture and time-dependent failure using cares/life

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jadaan, O.M.; Powers, L.M.; Nemeth, N.N.

    1995-08-01

    A probabilistic design methodology which predicts the fast fracture and time-dependent failure behavior of thermomechanically loaded ceramic components is discussed using the CARES/LIFE integrated design computer program. Slow crack growth (SCG) is assumed to be the mechanism responsible for delayed failure behavior. Inert strength and dynamic fatigue data obtained from testing coupon specimens (O-ring and C-ring specimens) are initially used to calculate the fast fracture and SCG material parameters as a function of temperature using the parameter estimation techniques available with the CARES/LIFE code. Finite element analysis (FEA) is used to compute the stress distributions for the tube as amore » function of applied pressure. Knowing the stress and temperature distributions and the fast fracture and SCG material parameters, the life time for a given tube can be computed. A stress-failure probability-time to failure (SPT) diagram is subsequently constructed for these tubes. Such a diagram can be used by design engineers to estimate the time to failure at a given failure probability level for a component subjected to a given thermomechanical load.« less

  5. Modifications of ORNL's computer programs MSF-21 and VTE-21 for the evaluation and rapid optimization of multistage flash and vertical tube evaporators

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Glueckstern, P.; Wilson, J.V.; Reed, S.A.

    1976-06-01

    Design and cost modifications were made to ORNL's Computer Programs MSF-21 and VTE-21 originally developed for the rapid calculation and design optimization of multistage flash (MSF) and multieffect vertical tube evaporator (VTE) desalination plants. The modifications include additional design options to make possible the evaluation of desalting plants based on current technology (the original programs were based on conceptual designs applying advanced and not yet proven technological developments and design features) and new materials and equipment costs updated to mid-1975.

  6. Evolution of a Materials Data Infrastructure

    NASA Astrophysics Data System (ADS)

    Warren, James A.; Ward, Charles H.

    2018-06-01

    The field of materials science and engineering is writing a new chapter in its evolution, one of digitally empowered materials discovery, development, and deployment. The 2008 Integrated Computational Materials Engineering (ICME) study report helped usher in this paradigm shift, making a compelling case and strong recommendations for an infrastructure supporting ICME that would enable access to precompetitive materials data for both scientific and engineering applications. With the launch of the Materials Genome Initiative in 2011, which drew substantial inspiration from the ICME study, digital data was highlighted as a core component of a Materials Innovation Infrastructure, along with experimental and computational tools. Over the past 10 years, our understanding of what it takes to provide accessible materials data has matured and rapid progress has been made in establishing a Materials Data Infrastructure (MDI). We are learning that the MDI is essential to eliminating the seams between experiment and computation by providing a means for them to connect effortlessly. Additionally, the MDI is becoming an enabler, allowing materials engineering to tie into a much broader model-based engineering enterprise for product design.

  7. Performance of a Light-Weight Ablative Thermal Protection Material for the Stardust Mission Sample Return Capsule

    NASA Technical Reports Server (NTRS)

    Covington, M. A.

    2005-01-01

    New tests and analyses are reported that were carried out to resolve testing uncertainties in the original development and qualification of a lightweight ablative material used for the Stardust spacecraft forebody heat shield. These additional arcjet tests and analyses confirmed the ablative and thermal performance of low density Phenolic Impregnated Carbon Ablator (PICA) material used for the Stardust design. Testing was done under conditions that simulate the peak convective heating conditions (1200 W/cm2 and 0.5 atm) expected during Earth entry of the Stardust Sample Return Capsule. Test data and predictions from an ablative material response computer code for the in-depth temperatures were compared to guide iterative adjustment of material thermophysical properties used in the code so that the measured and predicted temperatures agreed. The PICA recession rates and maximum internal temperatures were satisfactorily predicted by the computer code with the revised properties. Predicted recession rates were also in acceptable agreement with measured rates for heating conditions 37% greater than the nominal peak heating rate of 1200 W/sq cm. The measured in-depth temperature response data show consistent temperature rise deviations that may be caused by an undocumented endothermic process within the PICA material that is not accurately modeled by the computer code. Predictions of the Stardust heat shield performance based on the present evaluation provide evidence that the maximum adhesive bondline temperature will be much lower than the maximum allowable of 250 C and an earlier design prediction. The re-evaluation also suggests that even with a 25 percent increase in peak heating rates, the total recession of the heat shield would be a small fraction of the as-designed thickness. These results give confidence in the Stardust heat shield design and confirm the potential of PICA material for use in new planetary probe and sample return applications.

  8. Computer program to perform cost and weight analysis of transport aircraft. Volume 1: Summary

    NASA Technical Reports Server (NTRS)

    1973-01-01

    A digital computer program for evaluating the weight and costs of advanced transport designs was developed. The resultant program, intended for use at the preliminary design level, incorporates both batch mode and interactive graphics run capability. The basis of the weight and cost estimation method developed is a unique way of predicting the physical design of each detail part of a vehicle structure at a time when only configuration concept drawings are available. In addition, the technique relies on methods to predict the precise manufacturing processes and the associated material required to produce each detail part. Weight data are generated in four areas of the program. Overall vehicle system weights are derived on a statistical basis as part of the vehicle sizing process. Theoretical weights, actual weights, and the weight of the raw material to be purchased are derived as part of the structural synthesis and part definition processes based on the computed part geometry.

  9. Transitioning Rationally Designed Catalytic Materials to Real 'Working' Catalysts Produced at Commercial Scale: Nanoparticle Materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schaidle, Joshua A.; Habas, Susan E.; Baddour, Frederick G.

    Catalyst design, from idea to commercialization, requires multi-disciplinary scientific and engineering research and development over 10-20 year time periods. Historically, the identification of new or improved catalyst materials has largely been an empirical trial-and-error process. However, advances in computational capabilities (new tools and increased processing power) coupled with new synthetic techniques have started to yield rationally-designed catalysts with controlled nano-structures and tailored properties. This technological advancement represents an opportunity to accelerate the catalyst development timeline and to deliver new materials that outperform existing industrial catalysts or enable new applications, once a number of unique challenges associated with the scale-up ofmore » nano-structured materials are overcome.« less

  10. Particle Hydrodynamics with Material Strength for Multi-Layer Orbital Debris Shield Design

    NASA Technical Reports Server (NTRS)

    Fahrenthold, Eric P.

    1999-01-01

    Three dimensional simulation of oblique hypervelocity impact on orbital debris shielding places extreme demands on computer resources. Research to date has shown that particle models provide the most accurate and efficient means for computer simulation of shield design problems. In order to employ a particle based modeling approach to the wall plate impact portion of the shield design problem, it is essential that particle codes be augmented to represent strength effects. This report describes augmentation of a Lagrangian particle hydrodynamics code developed by the principal investigator, to include strength effects, allowing for the entire shield impact problem to be represented using a single computer code.

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

    ERIC Educational Resources Information Center

    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…

  12. Correlation Educational Model in Primary Education Curriculum of Mathematics and Computer Science

    ERIC Educational Resources Information Center

    Macinko Kovac, Maja; Eret, Lidija

    2012-01-01

    This article gives insight into methodical correlation model of teaching mathematics and computer science. The model shows the way in which the related areas of computer science and mathematics can be supplemented, if it transforms the way of teaching and creates a "joint" lessons. Various didactic materials are designed, in which all…

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

    NASA Astrophysics Data System (ADS)

    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.

  14. A new cognitive rehabilitation programme for patients with multiple sclerosis: the 'MS-line! Project'.

    PubMed

    Gich, Jordi; Freixenet, Jordi; Garcia, Rafael; Vilanova, Joan Carles; Genís, David; Silva, Yolanda; Montalban, Xavier; Ramió-Torrentà, Lluís

    2015-09-01

    Cognitive rehabilitation is often delayed in multiple sclerosis (MS). To develop a free and specific cognitive rehabilitation programme for MS patients to be used from early stages that does not interfere with daily living activities. MS-line!, cognitive rehabilitation materials consisting of written, manipulative and computer-based materials with difficulty levels developed by a multidisciplinary team. Mathematical, problem-solving and word-based exercises were designed. Physical materials included spatial, coordination and reasoning games. Computer-based material included logic and reasoning, working memory and processing speed games. Cognitive rehabilitation exercises that are specific for MS patients have been successfully developed. © The Author(s), 2014.

  15. Computational Chemistry Toolkit for Energetic Materials Design

    DTIC Science & Technology

    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

  16. A Pilot Study of the Naming Transaction Shell

    DTIC Science & Technology

    1991-06-01

    effective computer-based instructional design. AIDA will take established theories of knowledge, learning , and instruction and incorporate the theories...felt that anyone could learn to use the system both in design and delivery modes. Traditional course development (non- computer instruction) for the...students were studying and learning the material in the text. This often resulted in wasted effort in the simulator. By ensuring that the students knew the

  17. Development of a Design Supporting System for Nano-Materials based on a Framework for Integrated Knowledge of Functioning-Manufacturing Process

    NASA Astrophysics Data System (ADS)

    Tarumi, Shinya; Kozaki, Kouji; Kitamura, Yoshinobu; Mizoguchi, Riichiro

    In the recent materials research, much work aims at realization of ``functional materials'' by changing structure and/or manufacturing process with nanotechnology. However, knowledge about the relationship among function, structure and manufacturing process is not well organized. So, material designers have to consider a lot of things at the same time. It would be very helpful for them to support their design process by a computer system. In this article, we discuss a conceptual design supporting system for nano-materials. Firstly, we consider a framework for representing functional structures and manufacturing processes of nano-materials with relationships among them. We expand our former framework for representing functional knowledge based on our investigation through discussion with experts of nano-materials. The extended framework has two features: 1) it represents functional structures and manufacturing processes comprehensively, 2) it expresses parameters of function and ways with their dependencies because they are important for material design. Next, we describe a conceptual design support system we developed based on the framework with its functionalities. Lastly, we evaluate the utility of our system in terms of functionality for design supports. For this purpose, we tried to represent two real examples of material design. And then we did an evaluation experiment on conceptual design of material using our system with the collaboration of domain experts.

  18. 30 CFR 250.912 - What plans must I submit under the Platform Verification Program?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... computer programs used in the design process; and (3) A summary of the major design considerations and the...) Structural tolerances; (ii) Welding procedures; (iii) Material (concrete, gravel, or silt) placement methods...

  19. Robotics: Using Technology to Teach New Technologies.

    ERIC Educational Resources Information Center

    Cohen, Karen C.; Meyer, Carol D.

    1984-01-01

    Discusses the development of industrial robotics training materials, considering the need for such materials, preliminary curriculum design, the Piagetian approach followed, and the uses of computer assisted instruction. A list of robotics curriculum courses (with content and audience indicated) is included. (JN)

  20. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Morgan, O.B. Jr.; Berry, L.A.; Sheffield, J.

    This annual report on fusion energy discusses the progress on work in the following main topics: toroidal confinement experiments; atomic physics and plasma diagnostics development; plasma theory and computing; plasma-materials interactions; plasma technology; superconducting magnet development; fusion engineering design center; materials research and development; and neutron transport. (LSP)

  1. Finite Dimensional Approximations for Continuum Multiscale Problems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Berlyand, Leonid

    2017-01-24

    The completed research project concerns the development of novel computational techniques for modeling nonlinear multiscale physical and biological phenomena. Specifically, it addresses the theoretical development and applications of the homogenization theory (coarse graining) approach to calculation of the effective properties of highly heterogenous biological and bio-inspired materials with many spatial scales and nonlinear behavior. This theory studies properties of strongly heterogeneous media in problems arising in materials science, geoscience, biology, etc. Modeling of such media raises fundamental mathematical questions, primarily in partial differential equations (PDEs) and calculus of variations, the subject of the PI’s research. The focus of completed researchmore » was on mathematical models of biological and bio-inspired materials with the common theme of multiscale analysis and coarse grain computational techniques. Biological and bio-inspired materials offer the unique ability to create environmentally clean functional materials used for energy conversion and storage. These materials are intrinsically complex, with hierarchical organization occurring on many nested length and time scales. The potential to rationally design and tailor the properties of these materials for broad energy applications has been hampered by the lack of computational techniques, which are able to bridge from the molecular to the macroscopic scale. The project addressed the challenge of computational treatments of such complex materials by the development of a synergistic approach that combines innovative multiscale modeling/analysis techniques with high performance computing.« less

  2. Emerging Materials Technologies That Matter to Manufacturers

    NASA Technical Reports Server (NTRS)

    Misra, Ajay K.

    2015-01-01

    A brief overview of emerging materials technologies. Exploring the weight reduction benefit of replacing Carbon Fiber with Carbon Nanotube (CNT) in Polymer Composites. Review of the benign purification method developed for CNT sheets. The future of manufacturing will include the integration of computational material design and big data analytics, along with Nanomaterials as building blocks.

  3. Basic Research Plan.

    DTIC Science & Technology

    1996-05-01

    detection, catalysts for enhancing and controlling energetic reactions, synthesis of new compounds (e.g., narrow band-gap materials and non-linear...design for synthesis of advanced materials Fabricate porous lightweight and resilient structural materials with novel properties and uses Demonstrate...elements for 10 nm computer memory elements Demonstrate enhanced propellants and explosives with nanoparticle surface chemistry Demonstrate sensing of

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

    NASA Technical Reports Server (NTRS)

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

    2011-01-01

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

  5. Optimizing spectral CT parameters for material classification tasks

    NASA Astrophysics Data System (ADS)

    Rigie, D. S.; La Rivière, P. J.

    2016-06-01

    In this work, we propose a framework for optimizing spectral CT imaging parameters and hardware design with regard to material classification tasks. Compared with conventional CT, many more parameters must be considered when designing spectral CT systems and protocols. These choices will impact material classification performance in a non-obvious, task-dependent way with direct implications for radiation dose reduction. In light of this, we adapt Hotelling Observer formalisms typically applied to signal detection tasks to the spectral CT, material-classification problem. The result is a rapidly computable metric that makes it possible to sweep out many system configurations, generating parameter optimization curves (POC’s) that can be used to select optimal settings. The proposed model avoids restrictive assumptions about the basis-material decomposition (e.g. linearity) and incorporates signal uncertainty with a stochastic object model. This technique is demonstrated on dual-kVp and photon-counting systems for two different, clinically motivated material classification tasks (kidney stone classification and plaque removal). We show that the POC’s predicted with the proposed analytic model agree well with those derived from computationally intensive numerical simulation studies.

  6. Optimizing Spectral CT Parameters for Material Classification Tasks

    PubMed Central

    Rigie, D. S.; La Rivière, P. J.

    2017-01-01

    In this work, we propose a framework for optimizing spectral CT imaging parameters and hardware design with regard to material classification tasks. Compared with conventional CT, many more parameters must be considered when designing spectral CT systems and protocols. These choices will impact material classification performance in a non-obvious, task-dependent way with direct implications for radiation dose reduction. In light of this, we adapt Hotelling Observer formalisms typically applied to signal detection tasks to the spectral CT, material-classification problem. The result is a rapidly computable metric that makes it possible to sweep out many system configurations, generating parameter optimization curves (POC’s) that can be used to select optimal settings. The proposed model avoids restrictive assumptions about the basis-material decomposition (e.g. linearity) and incorporates signal uncertainty with a stochastic object model. This technique is demonstrated on dual-kVp and photon-counting systems for two different, clinically motivated material classification tasks (kidney stone classification and plaque removal). We show that the POC’s predicted with the proposed analytic model agree well with those derived from computationally intensive numerical simulation studies. PMID:27227430

  7. GVIPS Models and Software

    NASA Technical Reports Server (NTRS)

    Arnold, Steven M.; Gendy, Atef; Saleeb, Atef F.; Mark, John; Wilt, Thomas E.

    2007-01-01

    Two reports discuss, respectively, (1) the generalized viscoplasticity with potential structure (GVIPS) class of mathematical models and (2) the Constitutive Material Parameter Estimator (COMPARE) computer program. GVIPS models are constructed within a thermodynamics- and potential-based theoretical framework, wherein one uses internal state variables and derives constitutive equations for both the reversible (elastic) and the irreversible (viscoplastic) behaviors of materials. Because of the underlying potential structure, GVIPS models not only capture a variety of material behaviors but also are very computationally efficient. COMPARE comprises (1) an analysis core and (2) a C++-language subprogram that implements a Windows-based graphical user interface (GUI) for controlling the core. The GUI relieves the user of the sometimes tedious task of preparing data for the analysis core, freeing the user to concentrate on the task of fitting experimental data and ultimately obtaining a set of material parameters. The analysis core consists of three modules: one for GVIPS material models, an analysis module containing a specialized finite-element solution algorithm, and an optimization module. COMPARE solves the problem of finding GVIPS material parameters in the manner of a design-optimization problem in which the parameters are the design variables.

  8. Integrated aerodynamic-structural design of a forward-swept transport wing

    NASA Technical Reports Server (NTRS)

    Haftka, Raphael T.; Grossman, Bernard; Kao, Pi-Jen; Polen, David M.; Sobieszczanski-Sobieski, Jaroslaw

    1989-01-01

    The introduction of composite materials is having a profound effect on aircraft design. Since these materials permit the designer to tailor material properties to improve structural, aerodynamic and acoustic performance, they require an integrated multidisciplinary design process. Futhermore, because of the complexity of the design process, numerical optimization methods are required. The utilization of integrated multidisciplinary design procedures for improving aircraft design is not currently feasible because of software coordination problems and the enormous computational burden. Even with the expected rapid growth of supercomputers and parallel architectures, these tasks will not be practical without the development of efficient methods for cross-disciplinary sensitivities and efficient optimization procedures. The present research is part of an on-going effort which is focused on the processes of simultaneous aerodynamic and structural wing design as a prototype for design integration. A sequence of integrated wing design procedures has been developed in order to investigate various aspects of the design process.

  9. Multi-scale Material Appearance

    NASA Astrophysics Data System (ADS)

    Wu, Hongzhi

    Modeling and rendering the appearance of materials is important for a diverse range of applications of computer graphics - from automobile design to movies and cultural heritage. The appearance of materials varies considerably at different scales, posing significant challenges due to the sheer complexity of the data, as well the need to maintain inter-scale consistency constraints. This thesis presents a series of studies around the modeling, rendering and editing of multi-scale material appearance. To efficiently render material appearance at multiple scales, we develop an object-space precomputed adaptive sampling method, which precomputes a hierarchy of view-independent points that preserve multi-level appearance. To support bi-scale material appearance design, we propose a novel reflectance filtering algorithm, which rapidly computes the large-scale appearance from small-scale details, by exploiting the low-rank structures of Bidirectional Visible Normal Distribution Functions and pre-rotated Bidirectional Reflectance Distribution Functions in the matrix formulation of the rendering algorithm. This approach can guide the physical realization of appearance, as well as the modeling of real-world materials using very sparse measurements. Finally, we present a bi-scale-inspired high-quality general representation for material appearance described by Bidirectional Texture Functions. Our representation is at once compact, easily editable, and amenable to efficient rendering.

  10. A computer simulation of the turbocharged turbo compounded diesel engine system: A description of the thermodynamic and heat transfer models

    NASA Technical Reports Server (NTRS)

    Assanis, D. N.; Ekchian, J. E.; Frank, R. M.; Heywood, J. B.

    1985-01-01

    A computer simulation of the turbocharged turbocompounded direct-injection diesel engine system was developed in order to study the performance characteristics of the total system as major design parameters and materials are varied. Quasi-steady flow models of the compressor, turbines, manifolds, intercooler, and ducting are coupled with a multicylinder reciprocator diesel model, where each cylinder undergoes the same thermodynamic cycle. The master cylinder model describes the reciprocator intake, compression, combustion and exhaust processes in sufficient detail to define the mass and energy transfers in each subsystem of the total engine system. Appropriate thermal loading models relate the heat flow through critical system components to material properties and design details. From this information, the simulation predicts the performance gains, and assesses the system design trade-offs which would result from the introduction of selected heat transfer reduction materials in key system components, over a range of operating conditions.

  11. Computational design of high efficiency release targets for use at ISOL facilities

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Alton, G. D.; Middleton, J. W.

    1999-06-01

    This report describes efforts made at the Oak Ridge National Laboratory to design high-efficiency-release targets that simultaneously incorporate the short diffusion lengths, high permeabilities, controllable temperatures, and heat removal properties required for the generation of useful radioactive ion beam (RIB) intensities for nuclear physics and astrophysics research using the isotope separation on-line (ISOL) technique. Short diffusion lengths are achieved either by using thin fibrous target materials or by coating thin layers of selected target material onto low-density carbon fibers such as reticulated vitreous carbon fiber (RVCF) or carbon-bonded-carbon-fiber (CBCF) to form highly permeable composite target matrices. Computational studies which simulate the generation and removal of primary beam deposited heat from target materials have been conducted to optimize the design of target/heat-sink systems for generating RIBs. The results derived from diffusion release-rate simulation studies for selected targets and thermal analyses of temperature distributions within a prototype target/heat-sink system subjected to primary ion beam irradiation will be presented in this report.

  12. High-efficiency-release targets for use at ISOL facilities: computational design

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Alton, G. D.

    1999-12-01

    This report describes efforts made at the Oak Ridge National Laboratory to design high-efficiency-release targets that simultaneously incorporate the short diffusion lengths, high permeabilities, controllable temperatures, and heat-removal properties required for the generation of useful radioactive ion beam (RIB) intensities for nuclear physics and astrophysics research using the isotope separation on-line (ISOL) technique. Short diffusion lengths are achieved either by using thin fibrous target materials or by coating thin layers of selected target material onto low-density carbon fibers such as reticulated-vitreous-carbon fiber (RVCF) or carbon-bonded-carbon fiber (CBCF) to form highly permeable composite target matrices. Computational studies that simulate the generation and removal of primary beam deposited heat from target materials have been conducted to optimize the design of target/heat-sink systems for generating RIBs. The results derived from diffusion release-rate simulation studies for selected targets and thermal analyses of temperature distributions within a prototype target/heat-sink system subjected to primary ion beam irradiation are presented in this report.

  13. A polymer dataset for accelerated property prediction and design

    DOE PAGES

    Huan, Tran Doan; Mannodi-Kanakkithodi, Arun; Kim, Chiho; ...

    2016-03-01

    Emerging computation- and data-driven approaches are particularly useful for rationally designing materials with targeted properties. Generally, these approaches rely on identifying structure-property relationships by learning from a dataset of sufficiently large number of relevant materials. The learned information can then be used to predict the properties of materials not already in the dataset, thus accelerating the materials design. Herein, we develop a dataset of 1,073 polymers and related materials and make it available at http://khazana.uconn.edu/. This dataset is uniformly prepared using first-principles calculations with structures obtained either from other sources or by using structure search methods. Because the immediate targetmore » of this work is to assist the design of high dielectric constant polymers, it is initially designed to include the optimized structures, atomization energies, band gaps, and dielectric constants. As a result, it will be progressively expanded by accumulating new materials and including additional properties calculated for the optimized structures provided.« less

  14. School Libraries: A Design Recipe for the Future.

    ERIC Educational Resources Information Center

    Myerberg, Henry

    2002-01-01

    Discusses design elements of a 21st century school library, including space, books and shelving, seats, tables, technology (computers, scanners, projectors), building materials (wood, metal, plastic, paint, glass, fibers), and light and color. A sidebar describes the L!BRARY initiative to creatively design, professionally staff, and…

  15. An Automated Approach to Instructional Design Guidance.

    ERIC Educational Resources Information Center

    Spector, J. Michael; And Others

    This paper describes the Guided Approach to Instructional Design Advising (GAIDA), an automated instructional design tool that incorporates techniques of artificial intelligence. GAIDA was developed by the U.S. Air Force Armstrong Laboratory to facilitate the planning and production of interactive courseware and computer-based training materials.…

  16. The Materials Commons: A Collaboration Platform and Information Repository for the Global Materials Community

    NASA Astrophysics Data System (ADS)

    Puchala, Brian; Tarcea, Glenn; Marquis, Emmanuelle. A.; Hedstrom, Margaret; Jagadish, H. V.; Allison, John E.

    2016-08-01

    Accelerating the pace of materials discovery and development requires new approaches and means of collaborating and sharing information. To address this need, we are developing the Materials Commons, a collaboration platform and information repository for use by the structural materials community. The Materials Commons has been designed to be a continuous, seamless part of the scientific workflow process. Researchers upload the results of experiments and computations as they are performed, automatically where possible, along with the provenance information describing the experimental and computational processes. The Materials Commons website provides an easy-to-use interface for uploading and downloading data and data provenance, as well as for searching and sharing data. This paper provides an overview of the Materials Commons. Concepts are also outlined for integrating the Materials Commons with the broader Materials Information Infrastructure that is evolving to support the Materials Genome Initiative.

  17. Designing Radiation Resistance in Materials for Fusion Energy

    NASA Astrophysics Data System (ADS)

    Zinkle, S. J.; Snead, L. L.

    2014-07-01

    Proposed fusion and advanced (Generation IV) fission energy systems require high-performance materials capable of satisfactory operation up to neutron damage levels approaching 200 atomic displacements per atom with large amounts of transmutant hydrogen and helium isotopes. After a brief overview of fusion reactor concepts and radiation effects phenomena in structural and functional (nonstructural) materials, three fundamental options for designing radiation resistance are outlined: Utilize matrix phases with inherent radiation tolerance, select materials in which vacancies are immobile at the design operating temperatures, or engineer materials with high sink densities for point defect recombination. Environmental and safety considerations impose several additional restrictions on potential materials systems, but reduced-activation ferritic/martensitic steels (including thermomechanically treated and oxide dispersion-strengthened options) and silicon carbide ceramic composites emerge as robust structural materials options. Materials modeling (including computational thermodynamics) and advanced manufacturing methods are poised to exert a major impact in the next ten years.

  18. Phase change materials handbook

    NASA Technical Reports Server (NTRS)

    Hale, D. V.; Hoover, M. J.; Oneill, M. J.

    1971-01-01

    This handbook is intended to provide theory and data needed by the thermal design engineer to bridge the gap between research achievements and actual flight systems, within the limits of the current state of the art of phase change materials (PCM) technology. The relationship between PCM and more conventional thermal control techniques is described and numerous space and terrestrial applications of PCM are discussed. Material properties of the most promising PCMs are provided; the purposes and use of metallic filler materials in PCM composites are presented; and material compatibility considerations relevant to PCM design are included. The engineering considerations of PCM design are described, especially those pertaining to the thermodynamic and heat transfer phenomena peculiar to PCM design. Methods of obtaining data not currently available are presented. The special problems encountered in the space environment are described. Computational tools useful to the designer are discussed. In summary, each aspect of the PCM problem important to the design engineer is covered to the extent allowed by the scope of this effort and the state of the art.

  19. NASA aeronautics R&T - A resource for aircraft design

    NASA Technical Reports Server (NTRS)

    Olstad, W. B.

    1981-01-01

    This paper discusses the NASA aeronautics research and technology program from the viewpoint of the aircraft designer. The program spans the range from fundamental research to the joint validation with industry of technology for application into product development. Examples of recent developments in structures, materials, aerodynamics, controls, propulsion systems, and safety technology are presented as new additions to the designer's handbook. Finally, the major thrusts of NASA's current and planned programs which are keyed to revolutionary advances in materials science, electronics, and computer technology are addressed.

  20. Accounting & Computing Curriculum Guide.

    ERIC Educational Resources Information Center

    Avani, Nathan T.; And Others

    This curriculum guide consists of materials for use in teaching a competency-based accounting and computing course that is designed to prepare students for employability in the following occupational areas: inventory control clerk, invoice clerk, payroll clerk, traffic clerk, general ledger bookkeeper, accounting clerk, account information clerk,…

  1. Civil propulsion technology for the next twenty-five years

    NASA Technical Reports Server (NTRS)

    Rosen, Robert; Facey, John R.

    1987-01-01

    The next twenty-five years will see major advances in civil propulsion technology that will result in completely new aircraft systems for domestic, international, commuter and high-speed transports. These aircraft will include advanced aerodynamic, structural, and avionic technologies resulting in major new system capabilities and economic improvements. Propulsion technologies will include high-speed turboprops in the near term, very high bypass ratio turbofans, high efficiency small engines and advanced cycles utilizing high temperature materials for high-speed propulsion. Key fundamental enabling technologies include increased temperature capability and advanced design methods. Increased temperature capability will be based on improved composite materials such as metal matrix, intermetallics, ceramics, and carbon/carbon as well as advanced heat transfer techniques. Advanced design methods will make use of advances in internal computational fluid mechanics, reacting flow computation, computational structural mechanics and computational chemistry. The combination of advanced enabling technologies, new propulsion concepts and advanced control approaches will provide major improvements in civil aircraft.

  2. Multi-scale Material Parameter Identification Using LS-DYNA® and LS-OPT®

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stander, Nielen; Basudhar, Anirban; Basu, Ushnish

    2015-09-14

    Ever-tightening regulations on fuel economy, and the likely future regulation of carbon emissions, demand persistent innovation in vehicle design to reduce vehicle mass. Classical methods for computational mass reduction include sizing, shape and topology optimization. One of the few remaining options for weight reduction can be found in materials engineering and material design optimization. Apart from considering different types of materials, by adding material diversity and composite materials, an appealing option in automotive design is to engineer steel alloys for the purpose of reducing plate thickness while retaining sufficient strength and ductility required for durability and safety. A project tomore » develop computational material models for advanced high strength steel is currently being executed under the auspices of the United States Automotive Materials Partnership (USAMP) funded by the US Department of Energy. Under this program, new Third Generation Advanced High Strength Steel (i.e., 3GAHSS) are being designed, tested and integrated with the remaining design variables of a benchmark vehicle Finite Element model. The objectives of the project are to integrate atomistic, microstructural, forming and performance models to create an integrated computational materials engineering (ICME) toolkit for 3GAHSS. The mechanical properties of Advanced High Strength Steels (AHSS) are controlled by many factors, including phase composition and distribution in the overall microstructure, volume fraction, size and morphology of phase constituents as well as stability of the metastable retained austenite phase. The complex phase transformation and deformation mechanisms in these steels make the well-established traditional techniques obsolete, and a multi-scale microstructure-based modeling approach following the ICME [0]strategy was therefore chosen in this project. Multi-scale modeling as a major area of research and development is an outgrowth of the Comprehensive Test Ban Treaty of 1996 which banned surface testing of nuclear devices [1]. This had the effect that experimental work was reduced from large scale tests to multiscale experiments to provide material models with validation at different length scales. In the subsequent years industry realized that multi-scale modeling and simulation-based design were transferable to the design optimization of any structural system. Horstemeyer [1] lists a number of advantages of the use of multiscale modeling. Among these are: the reduction of product development time by alleviating costly trial-and-error iterations as well as the reduction of product costs through innovations in material, product and process designs. Multi-scale modeling can reduce the number of costly large scale experiments and can increase product quality by providing more accurate predictions. Research tends to be focussed on each particular length scale, which enhances accuracy in the long term. This paper serves as an introduction to the LS-OPT and LS-DYNA methodology for multi-scale modeling. It mainly focuses on an approach to integrate material identification using material models of different length scales. As an example, a multi-scale material identification strategy, consisting of a Crystal Plasticity (CP) material model and a homogenized State Variable (SV) model, is discussed and the parameter identification of the individual material models of different length scales is demonstrated. The paper concludes with thoughts on integrating the multi-scale methodology into the overall vehicle design.« less

  3. Computational electronics and electromagnetics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shang, C C

    The Computational Electronics and Electromagnetics thrust area serves as the focal point for Engineering R and D activities for developing computer-based design and analysis tools. Representative applications include design of particle accelerator cells and beamline components; design of transmission line components; engineering analysis and design of high-power (optical and microwave) components; photonics and optoelectronics circuit design; electromagnetic susceptibility analysis; and antenna synthesis. The FY-97 effort focuses on development and validation of (1) accelerator design codes; (2) 3-D massively parallel, time-dependent EM codes; (3) material models; (4) coupling and application of engineering tools for analysis and design of high-power components; andmore » (5) development of beam control algorithms coupled to beam transport physics codes. These efforts are in association with technology development in the power conversion, nondestructive evaluation, and microtechnology areas. The efforts complement technology development in Lawrence Livermore National programs.« less

  4. Computational Discovery of Materials Using the Firefly Algorithm

    NASA Astrophysics Data System (ADS)

    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.

  5. Wind turbine generator application places unique demands on tower design and materials

    NASA Technical Reports Server (NTRS)

    Kita, J. P.

    1978-01-01

    The most relevant contractual tower design requirements and goal for the Mod-1 tower are related to steel truss tower construction, cost-effective state-of-the-art design, a design life of 30 years, and maximum wind conditions of 120 mph at 30 feet elevation. The Mod-1 tower design approach was an iterative process. Static design loads were calculated and member sizes and overall geometry chosen with the use of finite element computer techniques. Initial tower dynamic characteristics were then combined with the dynamic properties of the other wind turbine components, and a series of complex dynamic computer programs were run to establish a dynamic load set and then a second tower design.

  6. In vitro Fracture strength and hardness of different computer-aided design/computer-aided manufacturing inlays.

    PubMed

    Sagsoz, O; Yildiz, M; Hojjat Ghahramanzadeh, A S L; Alsaran, A

    2018-03-01

    The purpose of this study was to examine the fracture strength and surface microhardness of computer-aided design/computer-aided manufacturing (CAD/CAM) materials in vitro. Mesial-occlusal-distal inlays were made from five different CAD/CAM materials (feldspathic ceramic, CEREC blocs; leucite-reinforced ceramic, IPS Empress CAD; resin nano ceramic, 3M ESPE Lava Ultimate; hybrid ceramic, VITA Enamic; and lithium disilicate ceramic, IPS e.max CAD) using CEREC 4 CAD/CAM system. Samples were adhesively cemented to metal analogs with a resin cement (3M ESPE, U200). The fracture tests were carried out with a universal testing machine. Furthermore, five samples were prepared from each CAD/CAM material for micro-Vickers hardness test. Data were analyzed with statistics software SPSS 20 (IBM Corp., New York, USA). Fracture strength of lithium disilicate inlays (3949 N) was found to be higher than other ceramic inlays (P < 0.05). There was no difference between other inlays statistically (P > 0.05). The highest micro-Vickers hardness was measured in lithium disilicate samples, and the lowest was in resin nano ceramic samples. Fracture strength results demonstrate that inlays can withstand the forces in the mouth. Statistical results showed that fracture strength and micro-Vickers hardness of feldspathic ceramic, leucite-reinforced ceramic, and lithium disilicate ceramic materials had a positive correlation.

  7. Designing the Very Small: Micro and Nanotechnology. Resources in Technology.

    ERIC Educational Resources Information Center

    Jacobs, James A.

    1996-01-01

    This learning activity is designed to increase knowledge of materials science; engineering; and technology design and the manufacture of the very small devices used in watches, computers, and calculators. It looks at possible innovations to come from micro- and nanotechnology. Includes a student quiz. (Author/JOW)

  8. Hollow glass for insulating layers

    NASA Astrophysics Data System (ADS)

    Merticaru, Andreea R.; Moagar-Poladian, Gabriel

    1999-03-01

    Common porous materials, some of which will be considered in the chapters of this book, include concrete, paper, ceramics, clays, porous semiconductors, chromotography materials, and natural materials like coral, bone, sponges, rocks and shells. Porous materials can also be reactive, such as in charcoal gasification, acid rock dissolution, catalyst deactivation and concrete. This study continues the investigations about the properties of, so-called, hollow glass. In this paper is presented a computer simulation approach in which the thermo-mechanical behavior of a 3D microstructure is directly computed. In this paper a computer modeling approach of porous glass is presented. One way to test the accuracy of the reconstructed microstructures is to computed their physical properties and compare to experimental measurement on equivalent systems. In this view, we imagine a new type of porous type of glass designed as buffer layer in multilayered printed boards in ICs. Our glass is a variable material with a variable pore size and surface area. The porosity could be tailored early from the deposition phases that permitting us to keep in a reasonable balance the dielectric constant and thermal conductivity.

  9. Coal conversion systems design and process modeling. Volume 1: Application of MPPR and Aspen computer models

    NASA Technical Reports Server (NTRS)

    1981-01-01

    The development of a coal gasification system design and mass and energy balance simulation program for the TVA and other similar facilities is described. The materials-process-product model (MPPM) and the advanced system for process engineering (ASPEN) computer program were selected from available steady state and dynamic models. The MPPM was selected to serve as the basis for development of system level design model structure because it provided the capability for process block material and energy balance and high-level systems sizing and costing. The ASPEN simulation serves as the basis for assessing detailed component models for the system design modeling program. The ASPEN components were analyzed to identify particular process blocks and data packages (physical properties) which could be extracted and used in the system design modeling program. While ASPEN physical properties calculation routines are capable of generating physical properties required for process simulation, not all required physical property data are available, and must be user-entered.

  10. Machine learning properties of binary wurtzite superlattices

    DOE PAGES

    Pilania, G.; Liu, X. -Y.

    2018-01-12

    The burgeoning paradigm of high-throughput computations and materials informatics brings new opportunities in terms of targeted materials design and discovery. The discovery process can be significantly accelerated and streamlined if one can learn effectively from available knowledge and past data to predict materials properties efficiently. Indeed, a very active area in materials science research is to develop machine learning based methods that can deliver automated and cross-validated predictive models using either already available materials data or new data generated in a targeted manner. In the present paper, we show that fast and accurate predictions of a wide range of propertiesmore » of binary wurtzite superlattices, formed by a diverse set of chemistries, can be made by employing state-of-the-art statistical learning methods trained on quantum mechanical computations in combination with a judiciously chosen numerical representation to encode materials’ similarity. These surrogate learning models then allow for efficient screening of vast chemical spaces by providing instant predictions of the targeted properties. Moreover, the models can be systematically improved in an adaptive manner, incorporate properties computed at different levels of fidelities and are naturally amenable to inverse materials design strategies. Finally, while the learning approach to make predictions for a wide range of properties (including structural, elastic and electronic properties) is demonstrated here for a specific example set containing more than 1200 binary wurtzite superlattices, the adopted framework is equally applicable to other classes of materials as well.« less

  11. Machine learning properties of binary wurtzite superlattices

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pilania, G.; Liu, X. -Y.

    The burgeoning paradigm of high-throughput computations and materials informatics brings new opportunities in terms of targeted materials design and discovery. The discovery process can be significantly accelerated and streamlined if one can learn effectively from available knowledge and past data to predict materials properties efficiently. Indeed, a very active area in materials science research is to develop machine learning based methods that can deliver automated and cross-validated predictive models using either already available materials data or new data generated in a targeted manner. In the present paper, we show that fast and accurate predictions of a wide range of propertiesmore » of binary wurtzite superlattices, formed by a diverse set of chemistries, can be made by employing state-of-the-art statistical learning methods trained on quantum mechanical computations in combination with a judiciously chosen numerical representation to encode materials’ similarity. These surrogate learning models then allow for efficient screening of vast chemical spaces by providing instant predictions of the targeted properties. Moreover, the models can be systematically improved in an adaptive manner, incorporate properties computed at different levels of fidelities and are naturally amenable to inverse materials design strategies. Finally, while the learning approach to make predictions for a wide range of properties (including structural, elastic and electronic properties) is demonstrated here for a specific example set containing more than 1200 binary wurtzite superlattices, the adopted framework is equally applicable to other classes of materials as well.« less

  12. Department of Defense Abstracts of Phase 2 Awards 1991

    DTIC Science & Technology

    1991-01-01

    the static stiffness of these materials as measured by comprcssiun testing indicated that the materials are too flexible to sustain submergence ...design, analysis and experiment has been iti) procduce a comlplete design’ l’or an improved MBR systems. This objective has been completely met in a...propoised toc fabhricate, assemble, test, deliver, and install a complete MBR system including computer, and sollwaire lfar ciperatimig the mnstrummiicm

  13. Reducing Vehicle Weight and Improving U.S. Energy Efficiency Using Integrated Computational Materials Engineering

    NASA Astrophysics Data System (ADS)

    Joost, William J.

    2012-09-01

    Transportation accounts for approximately 28% of U.S. energy consumption with the majority of transportation energy derived from petroleum sources. Many technologies such as vehicle electrification, advanced combustion, and advanced fuels can reduce transportation energy consumption by improving the efficiency of cars and trucks. Lightweight materials are another important technology that can improve passenger vehicle fuel efficiency by 6-8% for each 10% reduction in weight while also making electric and alternative vehicles more competitive. Despite the opportunities for improved efficiency, widespread deployment of lightweight materials for automotive structures is hampered by technology gaps most often associated with performance, manufacturability, and cost. In this report, the impact of reduced vehicle weight on energy efficiency is discussed with a particular emphasis on quantitative relationships determined by several researchers. The most promising lightweight materials systems are described along with a brief review of the most significant technical barriers to their implementation. For each material system, the development of accurate material models is critical to support simulation-intensive processing and structural design for vehicles; improved models also contribute to an integrated computational materials engineering (ICME) approach for addressing technical barriers and accelerating deployment. The value of computational techniques is described by considering recent ICME and computational materials science success stories with an emphasis on applying problem-specific methods.

  14. Predicting Silk Fiber Mechanical Properties through Multiscale Simulation and Protein Design.

    PubMed

    Rim, Nae-Gyune; Roberts, Erin G; Ebrahimi, Davoud; Dinjaski, Nina; Jacobsen, Matthew M; Martín-Moldes, Zaira; Buehler, Markus J; Kaplan, David L; Wong, Joyce Y

    2017-08-14

    Silk is a promising material for biomedical applications, and much research is focused on how application-specific, mechanical properties of silk can be designed synthetically through proper amino acid sequences and processing parameters. This protocol describes an iterative process between research disciplines that combines simulation, genetic synthesis, and fiber analysis to better design silk fibers with specific mechanical properties. Computational methods are used to assess the protein polymer structure as it forms an interconnected fiber network through shearing and how this process affects fiber mechanical properties. Model outcomes are validated experimentally with the genetic design of protein polymers that match the simulation structures, fiber fabrication from these polymers, and mechanical testing of these fibers. Through iterative feedback between computation, genetic synthesis, and fiber mechanical testing, this protocol will enable a priori prediction capability of recombinant material mechanical properties via insights from the resulting molecular architecture of the fiber network based entirely on the initial protein monomer composition. This style of protocol may be applied to other fields where a research team seeks to design a biomaterial with biomedical application-specific properties. This protocol highlights when and how the three research groups (simulation, synthesis, and engineering) should be interacting to arrive at the most effective method for predictive design of their material.

  15. Techno-economic requirements for automotive composites

    NASA Technical Reports Server (NTRS)

    Arnold, Scot

    1993-01-01

    New technology generally serves two main goals of the automotive industry: one is to enable vehicles to comply with various governmental regulations and the other is to provide a competitive edge in the market. The latter goal can either be served through improved manufacturing and design capabilities, such as computer aided design and computer aided manufacturing, or through improved product performance, such as anti-lock braking (ABS). Although safety features are sometimes customer driven, such as the increasing use of airbags and ABS, most are determined by regulations as outlined by the Federal Motor Vehicle Safety Standards (FMVSS). Other standards, set by the Environmental Protection Agency, determine acceptable levels of emissions and fuel consumption. State governments, such as in California, are also setting precedent standards, such as requiring manufacturers to offer zero-emission vehicles as a certain fraction of their sales in the state. The drive to apply new materials in the automobile stems from the need to reduce weight and improve fuel efficiency. Topics discussed include: new lightweight materials; types of automotive materials; automotive composite applications; the role for composite materials in automotive applications; advantages and disadvantages of composite materials; material substitution economics; economic perspective; production economics; and composite materials production economics.

  16. Advanced Design and Optimization of High Performance Combatant Craft: Material Testing and Computational Tools

    DTIC Science & Technology

    2012-05-31

    inherently shock-absorbent, and more durable than conventional materials. Despite these initial demonstration successes, there are still barriers that need...to deliver boats that are stronger, lighter, inherently shock‐absorbent, and more durable than those manufactured with conventional materials...and more durable than conventional materials (e.g. aluminum). Further, prior research by the University of Maine, Virginia Tech, and others has

  17. Resin-composite blocks for dental CAD/CAM applications.

    PubMed

    Ruse, N D; Sadoun, M J

    2014-12-01

    Advances in digital impression technology and manufacturing processes have led to a dramatic paradigm shift in dentistry and to the widespread use of computer-aided design/computer-aided manufacturing (CAD/CAM) in the fabrication of indirect dental restorations. Research and development in materials suitable for CAD/CAM applications are currently the most active field in dental materials. Two classes of materials are used in the production of CAD/CAM restorations: glass-ceramics/ceramics and resin composites. While glass-ceramics/ceramics have overall superior mechanical and esthetic properties, resin-composite materials may offer significant advantages related to their machinability and intra-oral reparability. This review summarizes recent developments in resin-composite materials for CAD/CAM applications, focusing on both commercial and experimental materials. © International & American Associations for Dental Research.

  18. Physics-based Modeling of Material Behavior and Damage Initiation in Nanoengineered Composites

    NASA Astrophysics Data System (ADS)

    Subramanian, Nithya

    Materials with unprecedented properties are necessary to make dramatic changes in current and future aerospace platforms. Hybrid materials and composites are increasingly being used in aircraft and spacecraft frames; however, future platforms will require an optimal design of novel materials that enable operation in a variety of environments and produce known/predicted damage mechanisms. Nanocomposites and nanoengineered composites with CNTs have the potential to make significant improvements in strength, stiffness, fracture toughness, flame retardancy and resistance to corrosion. Therefore, these materials have generated tremendous scientific and technical interest over the past decade and various architectures are being explored for applications to light-weight airframe structures. However, the success of such materials with significantly improved performance metrics requires careful control of the parameters during synthesis and processing. Their implementation is also limited due to the lack of complete understanding of the effects the nanoparticles impart to the bulk properties of composites. It is common for computational methods to be applied to explain phenomena measured or observed experimentally. Frequently, a given phenomenon or material property is only considered to be fully understood when the associated physics has been identified through accompanying calculations or simulations. The computationally and experimentally integrated research presented in this dissertation provides improved understanding of the mechanical behavior and response including damage and failure in CNT nanocomposites, enhancing confidence in their applications. The computations at the atomistic level helps to understand the underlying mechanochemistry and allow a systematic investigation of the complex CNT architectures and the material performance across a wide range of parameters. Simulation of the bond breakage phenomena and development of the interface to continuum scale damage captures the effects of applied loading and damage precursor and provides insight into the safety of nanoengineered composites under service loads. The validated modeling methodology is expected to be a step in the direction of computationally-assisted design and certification of novel materials, thus liberating the pace of their implementation in future applications.

  19. Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate).

    PubMed

    Barone, Vincenzo; Bellina, Fabio; Biczysko, Malgorzata; Bloino, Julien; Fornaro, Teresa; Latouche, Camille; Lessi, Marco; Marianetti, Giulia; Minei, Pierpaolo; Panattoni, Alessandro; Pucci, Andrea

    2015-10-28

    The possibilities offered by organic fluorophores in the preparation of advanced plastic materials have been increased by designing novel alkynylimidazole dyes, featuring different push and pull groups. This new family of fluorescent dyes was synthesized by means of a one-pot sequential bromination-alkynylation of the heteroaromatic core, and their optical properties were investigated in tetrahydrofuran and in poly(methyl methacrylate). An efficient in silico pre-screening scheme was devised as consisting of a step-by-step procedure employing computational methodologies by simulation of electronic spectra within simple vertical energy and more sophisticated vibronic approaches. Such an approach was also extended to efficiently simulate one-photon absorption and emission spectra of the dyes in the polymer environment for their potential application in luminescent solar concentrators. Besides the specific applications of this novel material, the integration of computational and experimental techniques reported here provides an efficient protocol that can be applied to make a selection among similar dye candidates, which constitute the essential responsive part of those fluorescent plastic materials.

  20. ICAN Computer Code Adapted for Building Materials

    NASA Technical Reports Server (NTRS)

    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.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hector, Jr., Louis G.; McCarty, Eric D.

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

  2. Machine-learned and codified synthesis parameters of oxide materials

    NASA Astrophysics Data System (ADS)

    Kim, Edward; Huang, Kevin; Tomala, Alex; Matthews, Sara; Strubell, Emma; Saunders, Adam; McCallum, Andrew; Olivetti, Elsa

    2017-09-01

    Predictive materials design has rapidly accelerated in recent years with the advent of large-scale resources, such as materials structure and property databases generated by ab initio computations. In the absence of analogous ab initio frameworks for materials synthesis, high-throughput and machine learning techniques have recently been harnessed to generate synthesis strategies for select materials of interest. Still, a community-accessible, autonomously-compiled synthesis planning resource which spans across materials systems has not yet been developed. In this work, we present a collection of aggregated synthesis parameters computed using the text contained within over 640,000 journal articles using state-of-the-art natural language processing and machine learning techniques. We provide a dataset of synthesis parameters, compiled autonomously across 30 different oxide systems, in a format optimized for planning novel syntheses of materials.

  3. Concurrent Probabilistic Simulation of High Temperature Composite Structural Response

    NASA Technical Reports Server (NTRS)

    Abdi, Frank

    1996-01-01

    A computational structural/material analysis and design tool which would meet industry's future demand for expedience and reduced cost is presented. This unique software 'GENOA' is dedicated to parallel and high speed analysis to perform probabilistic evaluation of high temperature composite response of aerospace systems. The development is based on detailed integration and modification of diverse fields of specialized analysis techniques and mathematical models to combine their latest innovative capabilities into a commercially viable software package. The technique is specifically designed to exploit the availability of processors to perform computationally intense probabilistic analysis assessing uncertainties in structural reliability analysis and composite micromechanics. The primary objectives which were achieved in performing the development were: (1) Utilization of the power of parallel processing and static/dynamic load balancing optimization to make the complex simulation of structure, material and processing of high temperature composite affordable; (2) Computational integration and synchronization of probabilistic mathematics, structural/material mechanics and parallel computing; (3) Implementation of an innovative multi-level domain decomposition technique to identify the inherent parallelism, and increasing convergence rates through high- and low-level processor assignment; (4) Creating the framework for Portable Paralleled architecture for the machine independent Multi Instruction Multi Data, (MIMD), Single Instruction Multi Data (SIMD), hybrid and distributed workstation type of computers; and (5) Market evaluation. The results of Phase-2 effort provides a good basis for continuation and warrants Phase-3 government, and industry partnership.

  4. Computational electronics and electromagnetics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shang, C. C.

    The Computational Electronics and Electromagnetics thrust area at Lawrence Livermore National Laboratory serves as the focal point for engineering R&D activities for developing computer-based design, analysis, and tools for theory. Key representative applications include design of particle accelerator cells and beamline components; engineering analysis and design of high-power components, photonics, and optoelectronics circuit design; EMI susceptibility analysis; and antenna synthesis. The FY-96 technology-base effort focused code development on (1) accelerator design codes; (2) 3-D massively parallel, object-oriented time-domain EM codes; (3) material models; (4) coupling and application of engineering tools for analysis and design of high-power components; (5) 3-D spectral-domainmore » CEM tools; and (6) enhancement of laser drilling codes. Joint efforts with the Power Conversion Technologies thrust area include development of antenna systems for compact, high-performance radar, in addition to novel, compact Marx generators. 18 refs., 25 figs., 1 tab.« less

  5. Determination of design allowable strength properties of elevated-temperature alloys. Part 1: Coated columbium alloys

    NASA Technical Reports Server (NTRS)

    Favor, R. J.; Maykuth, D. J.; Bartlett, E. S.; Mindlin, H.

    1972-01-01

    A program to determine the characteristics of two coated columbium alloy systems for spacecraft structures is discussed. The alloy was evaluated as coated base material, coated butt-welded material, and material thermal/pressure cycled prior to testing up to 30 cycles. Evaluation was by means of tensile tests covering the temperature range to 2400 F. Design allowables were computed and are presented as tables of data. The summary includes a room temperature property table, effect of temperature curves, and typical stress-strain curves.

  6. Adaptive strategies for materials design using uncertainties

    DOE PAGES

    Balachandran, Prasanna V.; Xue, Dezhen; Theiler, James; ...

    2016-01-21

    Here, we compare several adaptive design strategies using a data set of 223 M2AX family of compounds for which the elastic properties [bulk (B), shear (G), and Young’s (E) modulus] have been computed using density functional theory. The design strategies are decomposed into an iterative loop with two main steps: machine learning is used to train a regressor that predicts elastic properties in terms of elementary orbital radii of the individual components of the materials; and a selector uses these predictions and their uncertainties to choose the next material to investigate. The ultimate goal is to obtain a material withmore » desired elastic properties in as few iterations as possible. We examine how the choice of data set size, regressor and selector impact the design. We find that selectors that use information about the prediction uncertainty outperform those that don’t. Our work is a step in illustrating how adaptive design tools can guide the search for new materials with desired properties.« less

  7. Adaptive strategies for materials design using uncertainties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Balachandran, Prasanna V.; Xue, Dezhen; Theiler, James

    Here, we compare several adaptive design strategies using a data set of 223 M2AX family of compounds for which the elastic properties [bulk (B), shear (G), and Young’s (E) modulus] have been computed using density functional theory. The design strategies are decomposed into an iterative loop with two main steps: machine learning is used to train a regressor that predicts elastic properties in terms of elementary orbital radii of the individual components of the materials; and a selector uses these predictions and their uncertainties to choose the next material to investigate. The ultimate goal is to obtain a material withmore » desired elastic properties in as few iterations as possible. We examine how the choice of data set size, regressor and selector impact the design. We find that selectors that use information about the prediction uncertainty outperform those that don’t. Our work is a step in illustrating how adaptive design tools can guide the search for new materials with desired properties.« less

  8. The design of broadband radar absorbing surfaces

    NASA Astrophysics Data System (ADS)

    Suk, Go H.

    1990-09-01

    There has been a growing and widespread interest in radar absorbing material technology. As the name implies, radar absorbing materials or RAM's are coatings whose electric and magnetic properties have been selected to allow the absorption of microwave energy at discrete or broadband frequencies. In military applications low radar cross section (RCS) of a vehicle may be required in order to escape detection while a covert mission is being carried on. These requirements have led to the very low observable or stealth technology that reduces the probability of detection of an aircraft. The design of radar absorbing materials is limited by constraints on the allowable volume and weight of the surface coating, and it is difficult to design a broadband radar absorbing structure in limited volume. This thesis investigates the use of lossy dielectric materials of high dielectric permittivity in multilayer composites for the production of low radar cross section (RCS). The analysis is done by computing the plane wave reflection coefficient at the exterior surface of the composite coating by means of a computer program which selects layer parameters which determine low reflection coefficients for electromagnetic radiation under constraint of limited layer thickness as well as maximum frequency bandwidth.

  9. Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

    NASA Astrophysics Data System (ADS)

    Choudhary, Kamal; Congo, Faical Yannick P.; Liang, Tao; Becker, Chandler; Hennig, Richard G.; Tavazza, Francesca

    2017-01-01

    Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a systematic evaluation of materials properties using such potentials and, especially, an easy-to-use user-interface for their comparison is still lacking. To address this deficiency, we computed energetics and elastic properties of variety of materials such as metals and ceramics using a wide range of empirical potentials and compared them to density functional theory (DFT) as well as to experimental data, where available. The database currently consists of 3248 entries including energetics and elastic property calculations, and it is still increasing. We also include computational tools for convex-hull plots for DFT and FF calculations. The data covers 1471 materials and 116 force-fields. In addition, both the complete database and the software coding used in the process have been released for public use online (presently at http://www.ctcms.nist.gov/˜knc6/periodic.html) in a user-friendly way designed to enable further material design and discovery.

  10. Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

    PubMed Central

    Choudhary, Kamal; Congo, Faical Yannick P.; Liang, Tao; Becker, Chandler; Hennig, Richard G.; Tavazza, Francesca

    2017-01-01

    Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a systematic evaluation of materials properties using such potentials and, especially, an easy-to-use user-interface for their comparison is still lacking. To address this deficiency, we computed energetics and elastic properties of variety of materials such as metals and ceramics using a wide range of empirical potentials and compared them to density functional theory (DFT) as well as to experimental data, where available. The database currently consists of 3248 entries including energetics and elastic property calculations, and it is still increasing. We also include computational tools for convex-hull plots for DFT and FF calculations. The data covers 1471 materials and 116 force-fields. In addition, both the complete database and the software coding used in the process have been released for public use online (presently at http://www.ctcms.nist.gov/∼knc6/periodic.html) in a user-friendly way designed to enable further material design and discovery. PMID:28140407

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

    PubMed Central

    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

  12. The Relationship between Emotional Intelligence and Attitudes toward Computer-Based Instruction of Postsecondary Hospitality Students

    ERIC Educational Resources Information Center

    Behnke, Carl; Greenan, James P.

    2011-01-01

    This study examined the relationship between postsecondary students' emotional-social intelligence and attitudes toward computer-based instructional materials. Research indicated that emotions and emotional intelligence directly impact motivation, while instructional design has been shown to impact student attitudes and subsequent engagement with…

  13. The Relationship between Emotional Intelligence and Attitudes toward Computer-Based Instruction of Postsecondary Hospitality Students

    ERIC Educational Resources Information Center

    Behnke, Carl Alan

    2009-01-01

    The purpose of this study was to examine the relationship between postsecondary students' emotional-social intelligence and attitudes toward computer-based instructional materials. Research indicated that emotions and emotional intelligence directly impact motivation, while instructional design has been shown to impact student attitudes and…

  14. Computer Networking Strategies for Building Collaboration among Science Educators.

    ERIC Educational Resources Information Center

    Aust, Ronald

    The development and dissemination of science materials can be associated with technical delivery systems such as the Unified Network for Informatics in Teacher Education (UNITE). The UNITE project was designed to investigate ways for using computer networking to improve communications and collaboration among university schools of education and…

  15. NASA Tech Briefs, March 1995

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This issue contains articles with a special focus on Computer-Aided design and engineering amd a research report on the Ames Research Center. Other subjects in this issue are: Electronic Components and Circuits, Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Manufacturing/Fabrication, Mathematics and Information Sciences and Life Sciences

  16. Using Multimedia for E-Learning

    ERIC Educational Resources Information Center

    Mayer, R. E.

    2017-01-01

    This paper reviews 12 research-based principles for how to design computer-based multimedia instructional materials to promote academic learning, starting with the multimedia principle (yielding a median effect size of d = 1.67 based on five experimental comparisons), which holds that people learn better from computer-based instruction containing…

  17. Junior High Computer Studies: Teacher Resource Manual.

    ERIC Educational Resources Information Center

    Alberta Dept. of Education, Edmonton. Curriculum Branch.

    This manual is designed to help classroom teachers in Alberta, Canada implement the Junior High Computer Studies Program. The first eight sections cover the following material: (1) introduction to the teacher resource manual; (2) program rationale and philosophy; (3) general learner expectations; (4) program framework and flexibility; (5) program…

  18. Applied Nuclear Accountability Systems: A Case Study in the System Architecture and Development of NuMAC

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Campbell, Andrea Beth

    2004-07-01

    This is a case study of the NuMAC nuclear accountability system developed at a private fuel fabrication facility. This paper investigates nuclear material accountability and safeguards by researching expert knowledge applied in the system design and development. Presented is a system developed to detect and deter the theft of weapons grade nuclear material. Examined is the system architecture that includes: issues for the design and development of the system; stakeholder issues; how the system was built and evolved; software design, database design, and development tool considerations; security and computing ethics. (author)

  19. Optimal shielding design for minimum materials cost or mass

    DOE PAGES

    Woolley, Robert D.

    2015-12-02

    The mathematical underpinnings of cost optimal radiation shielding designs based on an extension of optimal control theory are presented, a heuristic algorithm to iteratively solve the resulting optimal design equations is suggested, and computational results for a simple test case are discussed. A typical radiation shielding design problem can have infinitely many solutions, all satisfying the problem's specified set of radiation attenuation requirements. Each such design has its own total materials cost. For a design to be optimal, no admissible change in its deployment of shielding materials can result in a lower cost. This applies in particular to very smallmore » changes, which can be restated using the calculus of variations as the Euler-Lagrange equations. Furthermore, the associated Hamiltonian function and application of Pontryagin's theorem lead to conditions for a shield to be optimal.« less

  20. Effects of Instructional Design with Mental Model Analysis on Learning.

    ERIC Educational Resources Information Center

    Hong, Eunsook

    This paper presents a model for systematic instructional design that includes mental model analysis together with the procedures used in developing computer-based instructional materials in the area of statistical hypothesis testing. The instructional design model is based on the premise that the objective for learning is to achieve expert-like…

  1. Developments in Cylindrical Shell Stability Analysis

    NASA Technical Reports Server (NTRS)

    Knight, Norman F., Jr.; Starnes, James H., Jr.

    1998-01-01

    Today high-performance computing systems and new analytical and numerical techniques enable engineers to explore the use of advanced materials for shell design. This paper reviews some of the historical developments of shell buckling analysis and design. The paper concludes by identifying key research directions for reliable and robust methods development in shell stability analysis and design.

  2. Review of the synergies between computational modeling and experimental characterization of materials across length scales

    DOE PAGES

    Dingreville, Rémi; Karnesky, Richard A.; Puel, Guillaume; ...

    2015-11-16

    With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends in which predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure–property relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanicsmore » community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to “simply” support experimental work. This is illustrated by examples from several application areas on structural materials. In conclusion this manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.« less

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

    DTIC Science & Technology

    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

  4. NANOSTRUCTURED MATERIAL DESIGN FOR HG, AS, AND SE CAPTURE

    EPA Science Inventory

    The goal of this research project is to identify potential materials that can be used as multipollutant sorbents using a hierarchy of computational modeling approaches. Palladium (Pd) and gold (Au) alloys were investigated and the results show that the addition of a small amou...

  5. Design and construction of a desktop AC susceptometer using an Arduino and a Bluetooth for serial interface

    NASA Astrophysics Data System (ADS)

    Pérez, Israel; Ángel Hernández Cuevas, José; Trinidad Elizalde Galindo, José

    2018-05-01

    We designed and developed a desktop AC susceptometer for the characterization of materials. The system consists of a lock-in amplifier, an AC function generator, a couple of coils, a sample holder, a computer system with a designed software in freeware C++ code, and an Arduino card coupled to a Bluetooth module. The Arduino/Bluetooth serial interface allows the user to have a connection to almost any computer and thus avoids the problem of connectivity between the computer and the peripherals, such as the lock-in amplifier and the function generator. The Bluetooth transmitter/receiver used is a commercial device which is robust and fast. These new features reduce the size and increase the versatility of the susceptometer, for it can be used with a simple laptop. To test our instrument, we performed measurements on magnetic materials and show that the system is reliable at both room temperature and cryogenic temperatures (77 K). The instrument is suitable for any physics or engineering laboratory either for research or academic purposes.

  6. Phase field benchmark problems for dendritic growth and linear elasticity

    DOE PAGES

    Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.; ...

    2018-03-26

    We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

  7. Phase field benchmark problems for dendritic growth and linear elasticity

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.

    We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

  8. The development of 3D food printer for printing fibrous meat materials

    NASA Astrophysics Data System (ADS)

    Liu, C.; Ho, C.; Wang, J.

    2018-01-01

    In this study, 3-D food printer was developed by integrating 3D printing technology with fibrous meat materials. With the help of computer-aided design and computer animation modeling software, users can model a desired pattern or shape, and then divide the model into layer-based sections. As the 3D food printer reads the design profile, food materials are extruded gradually through the nozzle to form the desired shape layer by layer. With the design of multiple nozzles, a wide variety of meat materials can be printed on the same product without the mixing of flavors. The technology can also extract the nutrients from the meat material to the food surface, allowing the freshness and sweetness of food to be tasted immediately upon eating it. This will also help the elderly’s eating experience since they often have bad teeth and poor taste sensing problems. Here, meat protein energy-type printing is used to solve the problem of currently available powder slurry calorie-type starch printing. The results show the novel technology development which uses pressurized tank with soft piping for material transport will improve the solid-liquid separation problem of fibrous meat material. In addition, the technology also allows amino acids from meat proteins as well as ketone body molecular substances from fatty acids to be substantially released, making ketogenic diet to be easier to accomplish. Moreover, time and volume controlled material feeding is made available by peristaltic pump to produce different food patterns and shapes with food materials of different viscosities, allowing food to be more eye-catching.

  9. Future requirements for advanced materials

    NASA Technical Reports Server (NTRS)

    Olstad, W. B.

    1980-01-01

    Recent advances and future trends in aerospace materials technology are reviewed with reference to metal alloys, high-temperature composites and adhesives, tungsten fiber-reinforced superalloys, hybrid materials, ceramics, new ablative materials, such as carbon-carbon composite and silica tiles used in the Shuttle Orbiter. The technologies of powder metallurgy coupled with hot isostatic pressing, near net forging, complex large shape casting, chopped fiber molding, superplastic forming, and computer-aided design and manufacture are emphasized.

  10. Design and analysis of a novel latch system implementing fiber-reinforced composite materials

    NASA Astrophysics Data System (ADS)

    Guevara Arreola, Francisco Javier

    The use of fiber-reinforced composite materials have increased in the last four decades in high technology applications due to their exceptional mechanical properties and low weight. In the automotive industry carbon fiber have become popular exclusively in luxury cars because of its high cost. However, Carbon-glass hybrid composites offer an effective alternative to designers to implement fiber-reinforced composites into several conventional applications without a considerable price increase maintaining most of their mechanical properties. A door latch system is a complex mechanism that is under high loading conditions during car accidents such as side impacts and rollovers. Therefore, the Department of Transportation in The United States developed a series of tests that every door latch system comply in order to be installed in a vehicle. The implementation of fiber-reinforced composite materials in a door latch system was studied by analyzing the material behavior during the FMVSS No. 206 transverse test using computational efforts and experimental testing. Firstly, a computational model of the current forkbolt and detent structure was developed. Several efforts were conducted in order to create an effective and time efficient model. Two simplified models were implemented with two different contact interaction approaches. 9 composite materials were studied in forkbolt and 5 in detent including woven carbon fiber, unidirectional carbon fiber, woven carbon-glass fiber hybrid composites and unidirectional carbon-glass fiber hybrid composites. The computational model results showed that woven fiber-reinforced composite materials were stiffer than the unidirectional fiber-reinforced composite materials. For instance, a forkbolt made of woven carbon fibers was 20% stiffer than a forkbolt made of unidirectional fibers symmetrically stacked in 0° and 90° alternating directions. Furthermore, Hybrid composite materials behaved as expected in forkbolt noticing a decline in the load-displacement slopes while the percentage of glass fiber increased. In the other hand, results showed that a detent made of only glass fiber layers was preferable than a carbon-glass fiber hybrid detent due to the high stresses shown in carbon fiber layers. Ultimately, forkbolt and detent were redesigned according to their functionality and test results. It was observed that the new design was stiffer than the original by showing a steeper load-displacement curve. Subsequently, an experimental procedure was performed in order to correlate computational model results. Fiber-reinforced composite forkbolt and detent were waterjet cut from a composite laminate manufactured by Vacuum Assisted Resin Transfer Molding (VART) process. Then, samples were tested according to the computational model. Six testing sample combinations of forkbolt and detent were tested including the top three woven iterations forkbolts from the computational model paired with woven and unidirectional glass fiber detents. Test results showed a stiffness drop of 15% when the carbon fiber percentage decreases from 100% to 75%. Also, it was observed that woven glass fiber detent was superior to the unidirectional glass fiber detent by presenting a forkbolt-detent stiffness 38% higher. Moreover, the new design of forkbolt and detent were tested showing a stiffness increment of 29%. Furthermore, it was observed that fiber-reinforced composite forkbolt and detent did not reach the desired load of 5000 N. However, the redesigned forkbolt made of 100% woven carbon fiber and the redesign detent made of 100% woven glass fiber were close to reach that load. The design review based on test results performed (DRBTR) showed that components did not fail where the computational model concluded to be the areas with the highest maximum principal stress. In contrast to the computational model, all samples failed at the contact area between forkbolt and detent.

  11. [Development of computer aided forming techniques in manufacturing scaffolds for bone tissue engineering].

    PubMed

    Wei, Xuelei; Dong, Fuhui

    2011-12-01

    To review recent advance in the research and application of computer aided forming techniques for constructing bone tissue engineering scaffolds. The literature concerning computer aided forming techniques for constructing bone tissue engineering scaffolds in recent years was reviewed extensively and summarized. Several studies over last decade have focused on computer aided forming techniques for bone scaffold construction using various scaffold materials, which is based on computer aided design (CAD) and bone scaffold rapid prototyping (RP). CAD include medical CAD, STL, and reverse design. Reverse design can fully simulate normal bone tissue and could be very useful for the CAD. RP techniques include fused deposition modeling, three dimensional printing, selected laser sintering, three dimensional bioplotting, and low-temperature deposition manufacturing. These techniques provide a new way to construct bone tissue engineering scaffolds with complex internal structures. With rapid development of molding and forming techniques, computer aided forming techniques are expected to provide ideal bone tissue engineering scaffolds.

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

    PubMed Central

    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

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

    PubMed

    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.

  14. [Computer assisted application of mandarin speech test materials].

    PubMed

    Zhang, Hua; Wang, Shuo; Chen, Jing; Deng, Jun-Min; Yang, Xiao-Lin; Guo, Lian-Sheng; Zhao, Xiao-Yan; Shao, Guang-Yu; Han, De-Min

    2008-06-01

    To design an intelligent speech test system with reliability and convenience using the computer software and to evaluate this system. First, the intelligent system was designed by the Delphi program language. Second, the seven monosyllabic word lists recorded on CD were separated by Cool Edit Pro v2.1 software and put into the system as test materials. Finally, the intelligent system was used to evaluate the equivalence of difficulty between seven lists. Fifty-five college students with normal hearing participated in the study. The seven monosyllabic word lists had equivalent difficulty (F = 1.582, P > 0.05) to the subjects between each other and the system was proved as reliability and convenience. The intelligent system has the feasibility in the clinical practice.

  15. Composite theory applied to elastomers

    NASA Technical Reports Server (NTRS)

    Clark, S. K.

    1986-01-01

    Reinforced elastomers form the basis for most of the structural or load carrying applications of rubber products. Computer based structural analysis in the form of finite element codes was highly successful in refining structural design in both isotropic materials and rigid composites. This has lead the rubber industry to attempt to make use of such techniques in the design of structural cord-rubber composites. While such efforts appear promising, they were not easy to achieve for several reasons. Among these is a distinct lack of a clearly defined set of material property descriptors suitable for computer analysis. There are substantial differences between conventional steel, aluminum, or even rigid composites such as graphite-epoxy, and textile-cord reinforced rubber. These differences which are both conceptual and practical are discussed.

  16. Feasibility studies on explosive detection and homeland security applications using a neutron and x-ray combined computed tomography system

    NASA Astrophysics Data System (ADS)

    Sinha, V.; Srivastava, A.; Lee, H. K.; Liu, X.

    2013-05-01

    The successful creation and operation of a neutron and X-ray combined computed tomography (NXCT) system has been demonstrated by researchers at the Missouri University of Science and Technology. The NXCT system has numerous applications in the field of material characterization and object identification in materials with a mixture of atomic numbers represented. Presently, the feasibility studies have been performed for explosive detection and homeland security applications, particularly in concealed material detection and determination of the light atomic number materials. These materials cannot be detected using traditional X-ray imaging. The new system has the capability to provide complete structural and compositional information due to the complementary nature of X-ray and neutron interactions with materials. The design of the NXCT system facilitates simultaneous and instantaneous imaging operation, promising enhanced detection capabilities of explosive materials, low atomic number materials and illicit materials for homeland security applications. In addition, a sample positioning system allowing the user to remotely and automatically manipulate the sample makes the system viable for commercial applications. Several explosives and weapon simulants have been imaged and the results are provided. The fusion algorithms which combine the data from the neutron and X-ray imaging produce superior images. This paper is a compete overview of the NXCT system for feasibility studies of explosive detection and homeland security applications. The design of the system, operation, algorithm development, and detection schemes are provided. This is the first combined neutron and X-ray computed tomography system in operation. Furthermore, the method of fusing neutron and X-ray images together is a new approach which provides high contrast images of the desired object. The system could serve as a standardized tool in nondestructive testing of many applications, especially in explosives detection and homeland security research.

  17. Ubiquitous computing to support co-located clinical teams: using the semiotics of physical objects in system design.

    PubMed

    Bang, Magnus; Timpka, Toomas

    2007-06-01

    Co-located teams often use material objects to communicate messages in collaboration. Modern desktop computing systems with abstract graphical user interface (GUIs) fail to support this material dimension of inter-personal communication. The aim of this study is to investigate how tangible user interfaces can be used in computer systems to better support collaborative routines among co-located clinical teams. The semiotics of physical objects used in team collaboration was analyzed from data collected during 1 month of observations at an emergency room. The resulting set of communication patterns was used as a framework when designing an experimental system. Following the principles of augmented reality, physical objects were mapped into a physical user interface with the goal of maintaining the symbolic value of those objects. NOSTOS is an experimental ubiquitous computing environment that takes advantage of interaction devices integrated into the traditional clinical environment, including digital pens, walk-up displays, and a digital desk. The design uses familiar workplace tools to function as user interfaces to the computer in order to exploit established cognitive and collaborative routines. Paper-based tangible user interfaces and digital desks are promising technologies for co-located clinical teams. A key issue that needs to be solved before employing such solutions in practice is associated with limited feedback from the passive paper interfaces.

  18. Basic Research Plan, February 2003

    DTIC Science & Technology

    2003-02-01

    consistent. This effort includes the nitration , crystallization, and coating of CL–20. Under Army sponsor- ship, a process for the nitration of CL–20 has...actuators • Multiscale computational design of structural materials with embedded functionality • Materials with embedded electrical/magnetic/optical...the innovative use of biology to produce unique materials and processes of mili- tary relevance; to increase economic and environmental affordability

  19. Computational screening of organic polymer dielectrics for novel accelerator technologies

    DOE PAGES

    Pilania, Ghanshyam; Weis, Eric; Walker, Ethan M.; ...

    2018-06-18

    The use of infrared lasers to power accelerating dielectric structures is a developing area of research. Within this technology, the choice of the dielectric material forming the accelerating structures, such as the photonic band gap (PBG) structures, is dictated by a range of interrelated factors including their dielectric and optical properties, amenability to photo-polymerization, thermochemical stability and other target performance metrics of the particle accelerator. In this direction, electronic structure theory aided computational screening and design of dielectric materials can play a key role in identifying potential candidate materials with the targeted functionalities to guide experimental synthetic efforts. In anmore » attempt to systematically understand the role of chemistry in controlling the electronic structure and dielectric properties of organic polymeric materials, here we employ empirical screening and density functional theory (DFT) computations, as a part of our multi-step hierarchal screening strategy. Our DFT based analysis focused on the bandgap, dielectric permittivity, and frequency-dependent dielectric losses due to lattice absorption as key properties to down-select promising polymer motifs. In addition to the specific application of dielectric laser acceleration, the general methodology presented here is deemed to be valuable in the design of new insulators with an attractive combination of dielectric properties.« less

  20. Report on the FY17 Development of Computer Program for ASME Section III, Division 5, Subsection HB, Subpart B Rules

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Swindeman, M. J.; Jetter, R. I.; Sham, T. -L.

    One of the objectives of the high temperature design methodology activities is to develop and validate both improvements and the basic features of ASME Boiler and Pressure Vessel Code, Section III, Rules for Construction of Nuclear Facility Components, Division 5, High Temperature Reactors, Subsection HB, Subpart B (HBB). The overall scope of this task is to develop a computer program to aid assessment procedures of components under specified loading conditions in accordance with the elevated temperature design requirements for Division 5 Class A components. There are many features and alternative paths of varying complexity in HBB. The initial focus ofmore » this computer program is a basic path through the various options for a single reference material, 316H stainless steel. However, the computer program is being structured for eventual incorporation all of the features and permitted materials of HBB. This report will first provide a description of the overall computer program, particular challenges in developing numerical procedures for the assessment, and an overall approach to computer program development. This is followed by a more comprehensive appendix, which is the draft computer program manual for the program development. The strain limits rules have been implemented in the computer program. The evaluation of creep-fatigue damage will be implemented in future work scope.« less

  1. Computational Design of Materials: Planetary Entry to Electric Aircraft and Beyond

    NASA Technical Reports Server (NTRS)

    Thompson, Alexander; Lawson, John W.

    2014-01-01

    NASA's projects and missions push the bounds of what is possible. To support the agency's work, materials development must stay on the cutting edge in order to keep pace. Today, researchers at NASA Ames Research Center perform multiscale modeling to aid the development of new materials and provide insight into existing ones. Multiscale modeling enables researchers to determine micro- and macroscale properties by connecting computational methods ranging from the atomic level (density functional theory, molecular dynamics) to the macroscale (finite element method). The output of one level is passed on as input to the next level, creating a powerful predictive model.

  2. Shape-matching soft mechanical metamaterials.

    PubMed

    Mirzaali, M J; Janbaz, S; Strano, M; Vergani, L; Zadpoor, A A

    2018-01-17

    Architectured materials with rationally designed geometries could be used to create mechanical metamaterials with unprecedented or rare properties and functionalities. Here, we introduce "shape-matching" metamaterials where the geometry of cellular structures comprising auxetic and conventional unit cells is designed so as to achieve a pre-defined shape upon deformation. We used computational models to forward-map the space of planar shapes to the space of geometrical designs. The validity of the underlying computational models was first demonstrated by comparing their predictions with experimental observations on specimens fabricated with indirect additive manufacturing. The forward-maps were then used to devise the geometry of cellular structures that approximate the arbitrary shapes described by random Fourier's series. Finally, we show that the presented metamaterials could match the contours of three real objects including a scapula model, a pumpkin, and a Delft Blue pottery piece. Shape-matching materials have potential applications in soft robotics and wearable (medical) devices.

  3. Preliminary design methods for fiber reinforced composite structures employing a personal computer

    NASA Technical Reports Server (NTRS)

    Eastlake, C. N.

    1986-01-01

    The objective of this project was to develop a user-friendly interactive computer program to be used as an analytical tool by structural designers. Its intent was to do preliminary, approximate stress analysis to help select or verify sizing choices for composite structural members. The approach to the project was to provide a subroutine which uses classical lamination theory to predict an effective elastic modulus for a laminate of arbitrary material and ply orientation. This effective elastic modulus can then be used in a family of other subroutines which employ the familiar basic structural analysis methods for isotropic materials. This method is simple and convenient to use but only approximate, as is appropriate for a preliminary design tool which will be subsequently verified by more sophisticated analysis. Additional subroutines have been provided to calculate laminate coefficient of thermal expansion and to calculate ply-by-ply strains within a laminate.

  4. Microgravity

    NASA Image and Video Library

    2004-04-15

    The Wake Shield Facility (WSF) is a free-flying research and development facility that is designed to use the pure vacuum of space to conduct scientific research in the development of new materials. The thin film materials technology developed by the WSF could some day lead to applications such as faster electronics components for computers.

  5. Web-Based Learning and Instruction Support System for Pneumatics

    ERIC Educational Resources Information Center

    Yen, Chiaming; Li, Wu-Jeng

    2003-01-01

    This research presents a Web-based learning and instructional system for Pneumatics. The system includes course material, remote data acquisition modules, and a pneumatic laboratory set. The course material is in the HTML format accompanied with text, still and animated images, simulation programs, and computer aided design tools. The data…

  6. MICHIGAN SOIL VAPOR EXTRACTION REMEDIATION (MISER) MODEL: A COMPUTER PROGRAM TO MODEL SOIL VAPORT EXTRACTION AND BIOVENTING OF ORGANIC MATERIALS IN UNSATURATED GEOLOGICAL MATERIAL

    EPA Science Inventory

    This report describes the formulation, numerical development, and use of a multiphase, multicomponent, biodegradation model designed to simulate physical, chemical, and biological interactions occurring primarily in field scale soil vapor extraction (SVE) and bioventing (B...

  7. Air Force Laboratory’s 2005 Technology Milestones

    DTIC Science & Technology

    2006-01-01

    Computational materials science methods can benefit the design and property prediction of complex real-world materials. With these models , scientists and...Warfighter Page Air High - Frequency Acoustic System...800) 203-6451 High - Frequency Acoustic System Payoff Scientists created the High - Frequency Acoustic Suppression Technology (HiFAST) airflow control

  8. CAI Programs and Macros for Formative Curriculum Evaluation.

    ERIC Educational Resources Information Center

    Dasenbrock, David; Teates, Thomas

    This technical memo is designed for persons who are interested in research with and development of curriculum material. Detailed information regarding computer programs, and program documentation used in the development and evaluation of ISCS curriculum materials is provided. The memo includes supplemental information to ISCS Technical Report I…

  9. Procedural research for reporting of material test data using computer systems : the MATT System : Volume 1 : user manual.

    DOT National Transportation Integrated Search

    1978-08-01

    The design and development of the MATT System was accomplished through task groups' approach. These task groups (one each for soil and base course, concrete, and hot mix) consisted of personnel from the Construction, Materials, Research and Developme...

  10. Heterocyclic energetic materials: Synthesis, characterization and computational design

    NASA Astrophysics Data System (ADS)

    Tsyshevsky, Roman; Pagoria, Philip; Smirnov, Aleksander; Kuklja, Maija

    2017-06-01

    Achievement of the tailored properties (high performance, low sensitivity, etc.) in targeted new energetic materials (EM) remains a great challenge. Recently, attention of researchers has shifted from conventional nitroester-, nitramine-, and nitroaromatic-based explosives to new heterocyclic EM with oxygen- and nitrogenrich molecular structures. They have increased densities and formation enthalpies complemented by attractive performance and high stability to external stimuli. We will demonstrate that oxadiazol-containing heterocycles offer a convenient playground to probe specific chemical functional groups as building blocks for design of EM. We discuss a joint experimental and computational approach for design, characterization, synthesis, and modeling of novel heterocyclic EM. Combinatorically, we comprehensively analyzed how overall stability and performance of each material in the family (BNFF, LLM-172, LLM-175, LLM-191, LLM-192, LLM-200) depends upon their chemical composition and details of the molecular structure (such as a substitution of a nitro group by an amino group and 1,2,5-oxadiazole fragment by 1,2,3- or 1,2,4-oxadiazol ring). We will also discuss proposed new EM with predicted superior chemical and physical properties. P. Pagoria, R. Tsyshevsky, A. Smirnov.

  11. Multiphysics Thermal-Fluid Design Analysis of a Non-Nuclear Tester for Hot-Hydrogen Materials and Component Development

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Foote, John; Litchford, Ron

    2006-01-01

    The objective of this effort is to perform design analyses for a non-nuclear hot-hydrogen materials tester, as a first step towards developing efficient and accurate multiphysics, thermo-fluid computational methodology to predict environments for hypothetical solid-core, nuclear thermal engine thrust chamber design and analysis. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, thermally radiating, unstructured-grid, and pressure-based formulation. The multiphysics invoked in this study include hydrogen dissociation kinetics and thermodynamics, turbulent flow, convective, and thermal radiative heat transfers. The goals of the design analyses are to maintain maximum hot-hydrogen jet impingement energy and to minimize chamber wall heating. The results of analyses on three test fixture configurations and the rationale for final selection are presented. The interrogation of physics revealed that reactions of hydrogen dissociation and recombination are highly correlated with local temperature and are necessary for accurate prediction of the hot-hydrogen jet temperature.

  12. Computational design of RNAs with complex energy landscapes.

    PubMed

    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.

  13. Materials engineering

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bramley, A.N.

    1985-01-01

    This book presents the Proceedings of the Second Materials Engineering Conference. This valuable collection of papers deal with the awareness, creative use, economics, reliability, selection, design, testing and warranty of materials. The papers address topics of both immediate and lasting industrial importance at a readily assimilated level and contain information which will lead speedily to improvements in industrial practice. Topics considered include recent developments in the science and technology of high modulus polymers; computer aided design of advanced composites; a systematic approach to materials testing in metal forming; new cold working tool steels; friction surfacing and its applications; fatigue lifemore » assessment and materials engineering; alternative materials for internal combustion engines; adhesives and the engineer; thermoplastic bearings; engineering applications of ZA alloys; and utility and complexity in the selection of polymeric materials.« less

  14. Digital optical computers at the optoelectronic computing systems center

    NASA Technical Reports Server (NTRS)

    Jordan, Harry F.

    1991-01-01

    The Digital Optical Computing Program within the National Science Foundation Engineering Research Center for Opto-electronic Computing Systems has as its specific goal research on optical computing architectures suitable for use at the highest possible speeds. The program can be targeted toward exploiting the time domain because other programs in the Center are pursuing research on parallel optical systems, exploiting optical interconnection and optical devices and materials. Using a general purpose computing architecture as the focus, we are developing design techniques, tools and architecture for operation at the speed of light limit. Experimental work is being done with the somewhat low speed components currently available but with architectures which will scale up in speed as faster devices are developed. The design algorithms and tools developed for a general purpose, stored program computer are being applied to other systems such as optimally controlled optical communication networks.

  15. Learning Computer Science Concepts with Scratch

    ERIC Educational Resources Information Center

    Meerbaum-Salant, Orni; Armoni, Michal; Ben-Ari, Mordechai

    2013-01-01

    Scratch is a visual programming environment that is widely used by young people. We investigated if Scratch can be used to teach concepts of computer science (CS). We developed learning materials for middle-school students that were designed according to the constructionist philosophy of Scratch and evaluated them in a few schools during two…

  16. Design and implementation of an inexpensive target scanner for the growth of thin films by the laser-ablation process

    NASA Astrophysics Data System (ADS)

    Rao, A. M.; Moodera, J. S.

    1991-04-01

    The design of a target scanner that is inexpensive and easy to construct is described. Our target scanner system does not require an expensive personal computer to raster the laser beam uniformily over the target material, unlike the computer driven target scanners that are currently being used in the thin-film industry. The main components of our target scanner comprise a bidirectional motor, a two-position switch, and a standard optical mirror mount.

  17. Topology and boundary shape optimization as an integrated design tool

    NASA Technical Reports Server (NTRS)

    Bendsoe, Martin Philip; Rodrigues, Helder Carrico

    1990-01-01

    The optimal topology of a two dimensional linear elastic body can be computed by regarding the body as a domain of the plane with a high density of material. Such an optimal topology can then be used as the basis for a shape optimization method that computes the optimal form of the boundary curves of the body. This results in an efficient and reliable design tool, which can be implemented via common FEM mesh generator and CAD type input-output facilities.

  18. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Smith, Kandler A; Santhanagopalan, Shriram; Yang, Chuanbo

    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.

  19. Proceedings of the NITINOL Heat Engine Conference, 26-27 September 1978, Silver Spring, Maryland

    DTIC Science & Technology

    1978-09-27

    allowed us to design, build, and test various engine designs, while exploring advanced concepts with computer modeling of motor dynamics and heat exchange ...exclude the effects of element geometi y and other material parameters which affect the heat exchange rate and kinetics of the SRP. 5-3...is in Rference 8. 13. In the present work we exclude the effects of element geometry and other material parameters which affect the heat exchange

  20. 2015 Army Science Planning and Strategy Meeting Series: Outcomes and Conclusions

    DTIC Science & Technology

    2017-12-21

    modeling and nanoscale characterization tools to enable efficient design of hybridized manufacturing ; realtime, multiscale computational capability...to enable predictive analytics for expeditionary on-demand manufacturing • Discovery of design principles to enable programming advanced genetic...goals, significant research is needed to mature the fundamental materials science, processing and manufacturing sciences, design methodologies, data

  1. Higher-Order Theory for Functionally Graded Materials

    NASA Technical Reports Server (NTRS)

    Aboudi, J.; Pindera, M. J.; Arnold, Steven M.

    2001-01-01

    Functionally graded materials (FGM's) are a new generation of engineered materials wherein the microstructural details are spatially varied through nonuniform distribution of the reinforcement phase(s). Engineers accomplish this by using reinforcements with different properties, sizes, and shapes, as well as by interchanging the roles of the reinforcement and matrix phases in a continuous manner (ref. 1). The result is a microstructure that produces continuously or discretely changing thermal and mechanical properties at the macroscopic or continuum scale. This new concept of engineering the material's microstructure marks the beginning of a revolution both in the materials science and mechanics of materials areas since it allows one, for the first time, to fully integrate the material and structural considerations into the final design of structural components. Functionally graded materials are ideal candidates for applications involving severe thermal gradients, ranging from thermal structures in advanced aircraft and aerospace engines to computer circuit boards. Owing to the many variables that control the design of functionally graded microstructures, full exploitation of the FGM's potential requires the development of appropriate modeling strategies for their response to combined thermomechanical loads. Previously, most computational strategies for the response of FGM's did not explicitly couple the material's heterogeneous microstructure with the structural global analysis. Rather, local effective or macroscopic properties at a given point within the FGM were first obtained through homogenization based on a chosen micromechanics scheme and then subsequently used in a global thermomechanical analysis.

  2. Ablative thermal management structural material on the hypersonic vehicles

    NASA Astrophysics Data System (ADS)

    Shortland, H.; Tsai, C.

    A hypersonic vehicle is designed to fly at high Mach number in the earth's atmosphere that will result in higher aerodynamic heating loads on specific areas of the vehicle. A thermal protection system is required for these areas that may exceed the operating temperature limit of structural materials. This paper delineates the application of ablative material as the passive type of thermal protection system for the nose or wing leading edges. A simplified quasi-steady-state one-dimensional computer model was developed to evaluate the performance and thermal design of a leading edge. The detailed description of the governing mathematical equations and results are presented. This model provides a quantitative information to support the design estimate, performance optimization, and assess preliminary feasibility of using ablation as a design approach.

  3. Parallel programming of industrial applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Heroux, M; Koniges, A; Simon, H

    1998-07-21

    In the introductory material, we overview the typical MPP environment for real application computing and the special tools available such as parallel debuggers and performance analyzers. Next, we draw from a series of real applications codes and discuss the specific challenges and problems that are encountered in parallelizing these individual applications. The application areas drawn from include biomedical sciences, materials processing and design, plasma and fluid dynamics, and others. We show how it was possible to get a particular application to run efficiently and what steps were necessary. Finally we end with a summary of the lessons learned from thesemore » applications and predictions for the future of industrial parallel computing. This tutorial is based on material from a forthcoming book entitled: "Industrial Strength Parallel Computing" to be published by Morgan Kaufmann Publishers (ISBN l-55860-54).« less

  4. Composite structural materials

    NASA Technical Reports Server (NTRS)

    Ansell, G. S.; Loewy, R. G.; Wiberley, S. E.

    1979-01-01

    A multifaceted program is described in which aeronautical, mechanical, and materials engineers interact to develop composite aircraft structures. Topics covered include: (1) the design of an advanced composite elevator and a proposed spar and rib assembly; (2) optimizing fiber orientation in the vicinity of heavily loaded joints; (3) failure mechanisms and delamination; (4) the construction of an ultralight sailplane; (5) computer-aided design; finite element analysis programs, preprocessor development, and array preprocessor for SPAR; (6) advanced analysis methods for composite structures; (7) ultrasonic nondestructive testing; (8) physical properties of epoxy resins and composites; (9) fatigue in composite materials, and (10) transverse thermal expansion of carbon/epoxy composites.

  5. NASA Tech Briefs, December 1997. Volume 21, No. 12

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics: Design and Analysis Software; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Manufacturing/Fabrication; Mathematics and Information Sciences; Books and Reports.

  6. Computational evidence for stable inorganic fullerene-like structures of ceramic and semiconductor materials

    NASA Astrophysics Data System (ADS)

    Chang, Ch; Patzer, A. B. C.; Sedlmayr, E.; Steinke, T.; Sülzle, D.

    2001-12-01

    Theoretical electronic structure techniques have become an indispensible and powerful means for predicting molecular properties and designing new materials. Based on a density functional approach and guided by geometric considerations we provide evidence for some specific inorganic fullerene-like cage molecules of ceramic and semiconductor materials which exhibit high energetic stability and point group symmetry as well as nearly perfect spherical shape.

  7. Game Design and Learning: A Conjectural Analysis of How Massively Multiple Online Role-Playing Games (MMORPGs) Foster Intrinsic Motivation

    ERIC Educational Resources Information Center

    Dickey, Michele D.

    2007-01-01

    During the past two decades, the popularity of computer and video games has prompted games to become a source of study for educational researchers and instructional designers investigating how various aspects of game design might be appropriated, borrowed, and re-purposed for the design of educational materials. The purpose of this paper is to…

  8. Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    King, Neil P.; Sheffler, William; Sawaya, Michael R.

    2015-09-17

    We describe a general computational method for designing proteins that self-assemble to a desired symmetric architecture. Protein building blocks are docked together symmetrically to identify complementary packing arrangements, and low-energy protein-protein interfaces are then designed between the building blocks in order to drive self-assembly. We used trimeric protein building blocks to design a 24-subunit, 13-nm diameter complex with octahedral symmetry and a 12-subunit, 11-nm diameter complex with tetrahedral symmetry. The designed proteins assembled to the desired oligomeric states in solution, and the crystal structures of the complexes revealed that the resulting materials closely match the design models. The method canmore » be used to design a wide variety of self-assembling protein nanomaterials.« less

  9. TEMPEST: A three-dimensional time-dependent computer program for hydrothermal analysis: Volume 1, Numerical methods and input instructions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Trent, D.S.; Eyler, L.L.; Budden, M.J.

    This document describes the numerical methods, current capabilities, and the use of the TEMPEST (Version L, MOD 2) computer program. TEMPEST is a transient, three-dimensional, hydrothermal computer program that is designed to analyze a broad range of coupled fluid dynamic and heat transfer systems of particular interest to the Fast Breeder Reactor thermal-hydraulic design community. The full three-dimensional, time-dependent equations of motion, continuity, and heat transport are solved for either laminar or turbulent fluid flow, including heat diffusion and generation in both solid and liquid materials. 10 refs., 22 figs., 2 tabs.

  10. Data mining technique for a secure electronic payment transaction using MJk-RSA in mobile computing

    NASA Astrophysics Data System (ADS)

    G. V., Ramesh Babu; Narayana, G.; Sulaiman, A.; Padmavathamma, M.

    2012-04-01

    Due to the evolution of the Electronic Learning (E-Learning), one can easily get desired information on computer or mobile system connected through Internet. Currently E-Learning materials are easily accessible on the desktop computer system, but in future, most of the information shall also be available on small digital devices like Mobile, PDA, etc. Most of the E-Learning materials are paid and customer has to pay entire amount through credit/debit card system. Therefore, it is very important to study about the security of the credit/debit card numbers. The present paper is an attempt in this direction and a security technique is presented to secure the credit/debit card numbers supplied over the Internet to access the E-Learning materials or any kind of purchase through Internet. A well known method i.e. Data Cube Technique is used to design the security model of the credit/debit card system. The major objective of this paper is to design a practical electronic payment protocol which is the safest and most secured mode of transaction. This technique may reduce fake transactions which are above 20% at the global level.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dam, Hieu Chi; Faculty of Physics, Vietnam National University, 334 Nguyen Trai, Hanoi; Pham, Tien Lam

    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 propertiesmore » 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.« less

  12. Experience with a sophisticated computer based authoring system

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gardner, P.R.

    1984-04-01

    In the November 1982 issue of ADCIS SIG CBT Newsletter the editor arrives at two conclusions regarding Computer Based Authoring Systems (CBAS): (1) CBAS drastically reduces programming time and the need for expert programmers, and (2) CBAS appears to have minimal impact on initial lesson design. Both of these comments have significant impact on any Cost-Benefit analysis for Computer-Based Training. The first tends to improve cost-effectiveness but only toward the limits imposed by the second. Westinghouse Hanford Company (WHC) recently purchased a sophisticated CBAS, the WISE/SMART system from Wicat (Orem, UT), for use in the Nuclear Power Industry. This reportmore » details our experience with this system relative to Items (1) and (2) above; lesson design time will be compared with lesson input time. Also provided will be the WHC experience in the use of subject matter experts (though computer neophytes) for the design and inputting of CBT materials.« less

  13. High-temperature behavior of advanced spacecraft TPS

    NASA Technical Reports Server (NTRS)

    Pallix, Joan

    1994-01-01

    The objective of this work has been to develop more efficient, lighter weight, and higher temperature thermal protection systems (TPS) for future reentry space vehicles. The research carried out during this funding period involved the design, analysis, testing, fabrication, and characterization of thermal protection materials to be used on future hypersonic vehicles. This work is important for the prediction of material performance at high temperature and aids in the design of thermal protection systems for a number of programs including programs such as the National Aerospace Plane (NASP), Pegasus and Pegasus/SWERVE, the Comet Rendezvous and Flyby Vehicle (CRAF), and the Mars mission entry vehicles. Research has been performed in two main areas including development and testing of thermal protection systems (TPS) and computational research. A variety of TPS materials and coatings have been developed during this funding period. Ceramic coatings were developed for flexible insulations as well as for low density ceramic insulators. Chemical vapor deposition processes were established for the fabrication of ceramic matrix composites. Experimental testing and characterization of these materials has been carried out in the NASA Ames Research Center Thermophysics Facilities and in the Ames time-of-flight mass spectrometer facility. By means of computation, we have been better able to understand the flow structure and properties of the TPS components and to estimate the aerothermal heating, stress, ablation rate, thermal response, and shape change on the surfaces of TPS. In addition, work for the computational surface thermochemistry project has included modification of existing computer codes and creating new codes to model material response and shape change on atmospheric entry vehicles in a variety of environments (e.g., earth and Mars atmospheres).

  14. High-temperature behavior of advanced spacecraft TPS

    NASA Astrophysics Data System (ADS)

    Pallix, Joan

    1994-05-01

    The objective of this work has been to develop more efficient, lighter weight, and higher temperature thermal protection systems (TPS) for future reentry space vehicles. The research carried out during this funding period involved the design, analysis, testing, fabrication, and characterization of thermal protection materials to be used on future hypersonic vehicles. This work is important for the prediction of material performance at high temperature and aids in the design of thermal protection systems for a number of programs including programs such as the National Aerospace Plane (NASP), Pegasus and Pegasus/SWERVE, the Comet Rendezvous and Flyby Vehicle (CRAF), and the Mars mission entry vehicles. Research has been performed in two main areas including development and testing of thermal protection systems (TPS) and computational research. A variety of TPS materials and coatings have been developed during this funding period. Ceramic coatings were developed for flexible insulations as well as for low density ceramic insulators. Chemical vapor deposition processes were established for the fabrication of ceramic matrix composites. Experimental testing and characterization of these materials has been carried out in the NASA Ames Research Center Thermophysics Facilities and in the Ames time-of-flight mass spectrometer facility. By means of computation, we have been better able to understand the flow structure and properties of the TPS components and to estimate the aerothermal heating, stress, ablation rate, thermal response, and shape change on the surfaces of TPS. In addition, work for the computational surface thermochemistry project has included modification of existing computer codes and creating new codes to model material response and shape change on atmospheric entry vehicles in a variety of environments (e.g., earth and Mars atmospheres).

  15. Ab initio density-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics.

    PubMed

    Hafner, Jürgen

    2010-09-29

    During the last 20 years computer simulations based on a quantum-mechanical description of the interactions between electrons and atomic nuclei have developed an increasingly important impact on materials science, not only in promoting a deeper understanding of the fundamental physical phenomena, but also enabling the computer-assisted design of materials for future technologies. The backbone of atomic-scale computational materials science is density-functional theory (DFT) which allows us to cast the intractable complexity of electron-electron interactions into the form of an effective single-particle equation determined by the exchange-correlation functional. Progress in DFT-based calculations of the properties of materials and of simulations of processes in materials depends on: (1) the development of improved exchange-correlation functionals and advanced post-DFT methods and their implementation in highly efficient computer codes, (2) the development of methods allowing us to bridge the gaps in the temperature, pressure, time and length scales between the ab initio calculations and real-world experiments and (3) the extension of the functionality of these codes, permitting us to treat additional properties and new processes. In this paper we discuss the current status of techniques for performing quantum-based simulations on materials and present some illustrative examples of applications to complex quasiperiodic alloys, cluster-support interactions in microporous acid catalysts and magnetic nanostructures.

  16. Computational Intelligence‐Assisted Understanding of Nature‐Inspired Superhydrophobic Behavior

    PubMed Central

    Zhang, Xia; Ding, Bei; Dixon, Sebastian C.

    2017-01-01

    Abstract In recent years, state‐of‐the‐art computational modeling of physical and chemical systems has shown itself to be an invaluable resource in the prediction of the properties and behavior of functional materials. However, construction of a useful computational model for novel systems in both academic and industrial contexts often requires a great depth of physicochemical theory and/or a wealth of empirical data, and a shortage in the availability of either frustrates the modeling process. In this work, computational intelligence is instead used, including artificial neural networks and evolutionary computation, to enhance our understanding of nature‐inspired superhydrophobic behavior. The relationships between experimental parameters (water droplet volume, weight percentage of nanoparticles used in the synthesis of the polymer composite, and distance separating the superhydrophobic surface and the pendant water droplet in adhesive force measurements) and multiple objectives (water droplet contact angle, sliding angle, and adhesive force) are built and weighted. The obtained optimal parameters are consistent with the experimental observations. This new approach to materials modeling has great potential to be applied more generally to aid design, fabrication, and optimization for myriad functional materials. PMID:29375975

  17. Computational Intelligence-Assisted Understanding of Nature-Inspired Superhydrophobic Behavior.

    PubMed

    Zhang, Xia; Ding, Bei; Cheng, Ran; Dixon, Sebastian C; Lu, Yao

    2018-01-01

    In recent years, state-of-the-art computational modeling of physical and chemical systems has shown itself to be an invaluable resource in the prediction of the properties and behavior of functional materials. However, construction of a useful computational model for novel systems in both academic and industrial contexts often requires a great depth of physicochemical theory and/or a wealth of empirical data, and a shortage in the availability of either frustrates the modeling process. In this work, computational intelligence is instead used, including artificial neural networks and evolutionary computation, to enhance our understanding of nature-inspired superhydrophobic behavior. The relationships between experimental parameters (water droplet volume, weight percentage of nanoparticles used in the synthesis of the polymer composite, and distance separating the superhydrophobic surface and the pendant water droplet in adhesive force measurements) and multiple objectives (water droplet contact angle, sliding angle, and adhesive force) are built and weighted. The obtained optimal parameters are consistent with the experimental observations. This new approach to materials modeling has great potential to be applied more generally to aid design, fabrication, and optimization for myriad functional materials.

  18. SOC-DS computer code provides tool for design evaluation of homogeneous two-material nuclear shield

    NASA Technical Reports Server (NTRS)

    Disney, R. K.; Ricks, L. O.

    1967-01-01

    SOC-DS Code /Shield Optimization Code-Direc Search/, selects a nuclear shield material of optimum volume, weight, or cost to meet the requirments of a given radiation dose rate or energy transmission constraint. It is applicable to evaluating neutron and gamma ray shields for all nuclear reactors.

  19. Text, Graphics, and Multimedia Materials Employed in Learning a Computer-Based Procedural Task

    ERIC Educational Resources Information Center

    Coffindaffer, Kari Christine Carlson

    2010-01-01

    The present research study investigated the interaction of graphic design students with different forms of software training materials. Four versions of the procedural task instructions were developed (A) Traditional Textbook with Still Images, (B) Modified Text with Integrated Still Images, (C) Onscreen Modified Text with Silent Onscreen Video…

  20. Simplified Application of Material Efficiency Green Metrics to Synthesis Plans: Pedagogical Case Studies Selected from "Organic Syntheses"

    ERIC Educational Resources Information Center

    Andraos, John

    2015-01-01

    This paper presents a simplified approach for the application of material efficiency metrics to linear and convergent synthesis plans encountered in organic synthesis courses. Computations are facilitated and automated using intuitively designed Microsoft Excel spreadsheets without invoking abstract mathematical formulas. The merits of this…

  1. Microbial load monitor

    NASA Technical Reports Server (NTRS)

    Holen, J. T.; Royer, E. R.

    1976-01-01

    A card configuration which combines the functions of identification, enumeration and antibiotic sensitivity into one card was developed. An instrument package was designed around the card to integrate the card filling, incubation reading, computation and decision making process into one compact unit. Support equipment was also designed to prepare the expandable material used in the MLM.

  2. (In)Forming: The Affordances of Digital Fabrication in Architectural Education

    ERIC Educational Resources Information Center

    Cabrinha, Mark Newell

    2010-01-01

    This research focuses on the effect of technology on the culture of architectural education through the lens of digital fabrication (CAD/CAM). As the computer was introduced into design education long before digital fabrication was accessible, design culture has prioritized image over material experience. Digital fabrication enables a material…

  3. Ten Design Points for the Human Interface to Instructional Multimedia.

    ERIC Educational Resources Information Center

    McFarland, Ronald D.

    1995-01-01

    Ten ways to design an effective Human-Computer Interface are explained. Highlights include material delivery that relates to user knowledge; appropriate screen presentations; attention value versus learning and recall; the relationship of packaging and message; the effectiveness of visuals and text; the use of color to enhance communication; the…

  4. X-ray Micro-Tomography of Ablative Heat Shield Materials

    NASA Technical Reports Server (NTRS)

    Panerai, Francesco; Ferguson, Joseph; Borner, Arnaud; Mansour, Nagi N.; Barnard, Harold S.; MacDowell, Alastair A.; Parkinson, Dilworth Y.

    2016-01-01

    X-ray micro-tomography is a non-destructive characterization technique that allows imaging of materials structures with voxel sizes in the micrometer range. This level of resolution makes the technique very attractive for imaging porous ablators used in hypersonic entry systems. Besides providing a high fidelity description of the material architecture, micro-tomography enables computations of bulk material properties and simulations of micro-scale phenomena. This presentation provides an overview of a collaborative effort between NASA Ames Research Center and Lawrence Berkeley National Laboratory, aimed at developing micro-tomography experiments and simulations for porous ablative materials. Measurements are carried using x-rays from the Advanced Light Source at Berkeley Lab on different classes of ablative materials used in NASA entry systems. Challenges, strengths and limitations of the technique for imaging materials such as lightweight carbon-phenolic systems and woven textiles are discussed. Computational tools developed to perform numerical simulations based on micro-tomography are described. These enable computations of material properties such as permeability, thermal and radiative conductivity, tortuosity and other parameters that are used in ablator response models. Finally, we present the design of environmental cells that enable imaging materials under simulated operational conditions, such as high temperature, mechanical loads and oxidizing atmospheres.Keywords: Micro-tomography, Porous media, Ablation

  5. CREW CHIEF: A computer graphics simulation of an aircraft maintenance technician

    NASA Technical Reports Server (NTRS)

    Aume, Nilss M.

    1990-01-01

    Approximately 35 percent of the lifetime cost of a military system is spent for maintenance. Excessive repair time is caused by not considering maintenance during design. Problems are usually discovered only after a mock-up has been constructed, when it is too late to make changes. CREW CHIEF will reduce the incidence of such problems by catching design defects in the early design stages. CREW CHIEF is a computer graphic human factors evaluation system interfaced to commercial computer aided design (CAD) systems. It creates a three dimensional man model, either male or female, large or small, with various types of clothing and in several postures. It can perform analyses for physical accessibility, strength capability with tools, visual access, and strength capability for manual materials handling. The designer would produce a drawing on his CAD system and introduce CREW CHIEF in it. CREW CHIEF's analyses would then indicate places where problems could be foreseen and corrected before the design is frozen.

  6. Theoretical design and discovery of the most-promising, previously overlooked hybrid perovskite compounds

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zunger, Alex; Kazmerski, Lawrence L.; Dalpian, Gustavo M.

    The material class of hybrid organic-inorganic perovskites (AMX3) has risen rapidly from a virtually unknown material in photovoltaic applications a short 8-years ago into 20-23% efficient thin-film solar cell devices. As promising as this class of materials is, however, there are limitations associated with its poor long-term stability, non-optimal band gap, and the presence of toxic Pb atom on the metalloid site. An Edisonian laboratory exploration (i.e., growth + characterization) via trial-and-error processes of all other candidate materials, is unpractical. Our approach uses high speed computational design and discovery to screen the ‘best of class” candidates based upon optimal functionalities.

  7. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wolverton, Christopher; Ozolins, Vidvuds; Kung, Harold H.

    The objective of the proposed program is to discover novel mixed hydrides for hydrogen storage, which enable the DOE 2010 system-level goals. Our goal is to find a material that desorbs 8.5 wt.% H 2 or more at temperatures below 85°C. The research program will combine first-principles calculations of reaction thermodynamics and kinetics with material and catalyst synthesis, testing, and characterization. We will combine materials from distinct categories (e.g., chemical and complex hydrides) to form novel multicomponent reactions. Systems to be studied include mixtures of complex hydrides and chemical hydrides [e.g. LiNH 2+NH 3BH 3] and nitrogen-hydrogen based borohydrides [e.g.more » Al(BH 4) 3(NH 3) 3]. The 2010 and 2015 FreedomCAR/DOE targets for hydrogen storage systems are very challenging, and cannot be met with existing materials. The vast majority of the work to date has delineated materials into various classes, e.g., complex and metal hydrides, chemical hydrides, and sorbents. However, very recent studies indicate that mixtures of storage materials, particularly mixtures between various classes, hold promise to achieve technological attributes that materials within an individual class cannot reach. Our project involves a systematic, rational approach to designing novel multicomponent mixtures of materials with fast hydrogenation/dehydrogenation kinetics and favorable thermodynamics using a combination of state-of-the-art scientific computing and experimentation. We will use the accurate predictive power of first-principles modeling to understand the thermodynamic and microscopic kinetic processes involved in hydrogen release and uptake and to design new material/catalyst systems with improved properties. Detailed characterization and atomic-scale catalysis experiments will elucidate the effect of dopants and nanoscale catalysts in achieving fast kinetics and reversibility. And, state-of-the-art storage experiments will give key storage attributes of the investigated reactions, validate computational predictions, and help guide and improve computational methods. In sum, our approach involves a powerful blend of: 1) H2 Storage measurements and characterization, 2) State-of-the-art computational modeling, 3) Detailed catalysis experiments, 4) In-depth automotive perspective.« less

  8. Problem Manual for Instructional Decision-Making Module; Volume 2: A Computer Assisted Instruction Module. Document Number 4.

    ERIC Educational Resources Information Center

    Bessent, E. Wailand; And Others

    Provided in the manual are background material, problems, and worksheets designed for graduate students involved in a computer assisted instruction (CAI) approach to supervisor training. Included are a faculty handbook for a simulated school in a mythical community, a practice problem to familiarize the student with terminal operation, and eight…

  9. The Effects of Different Feedback Strategies Using Computer-Administered Multiple-Choice Questions as Instruction.

    ERIC Educational Resources Information Center

    Clariana, Roy B.; And Others

    The present study investigated the effects of using different forms of material with 100 eleventh grade students enrolled in a 5-week CBI (computer based instruction) summer enrichment program in Memphis, Tennessee. The basic design consisted of two conditions of instructional support (text and questions vs. questions only), two testings…

  10. Sets, Probability and Statistics: The Mathematics of Life Insurance. [Computer Program.] Second Edition.

    ERIC Educational Resources Information Center

    King, James M.; And Others

    The materials described here represent the conversion of a highly popular student workbook "Sets, Probability and Statistics: The Mathematics of Life Insurance" into a computer program. The program is designed to familiarize students with the concepts of sets, probability, and statistics, and to provide practice using real life examples. It also…

  11. CNC Turning Center Advanced Operations. Computer Numerical Control Operator/Programmer. 444-332.

    ERIC Educational Resources Information Center

    Skowronski, Steven D.; Tatum, Kenneth

    This student guide provides materials for a course designed to introduce the student to the operations and functions of a two-axis computer numerical control (CNC) turning center. The course consists of seven units. Unit 1 presents course expectations and syllabus, covers safety precautions, and describes the CNC turning center components, CNC…

  12. A Computer-Based Interactive Multimedia Program to Reduce HIV Transmission for Women with Intellectual Disability

    ERIC Educational Resources Information Center

    Wells, J.; Clark, K. D.; Sarno, K.

    2012-01-01

    Background: Despite recent recognition of the need for preventive sexual health materials for people with intellectual disability (ID), there have been remarkably few health-based interventions designed for people with mild to moderate ID. The purpose of this study was to evaluate the effects of a computer-based interactive multimedia (CBIM)…

  13. Design and evaluation of a sensor fail-operational control system for a digitally controlled turbofan engine

    NASA Technical Reports Server (NTRS)

    Hrach, F. J.; Arpasi, D. J.; Bruton, W. M.

    1975-01-01

    A self-learning, sensor fail-operational, control system for the TF30-P-3 afterburning turbofan engine was designed and evaluated. The sensor fail-operational control system includes a digital computer program designed to operate in conjunction with the standard TF30-P-3 bill-of-materials control. Four engine measurements and two compressor face measurements are tested. If any engine measurements are found to have failed, they are replaced by values synthesized from computer-stored information. The control system was evaluated by using a realtime, nonlinear, hybrid computer engine simulation at sea level static condition, at a typical cruise condition, and at several extreme flight conditions. Results indicate that the addition of such a system can improve the reliability of an engine digital control system.

  14. Direct coal liquefaction baseline design and system analysis. Quarterly report, January--March 1991

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1991-04-01

    The primary objective of the study is to develop a computer model for a base line direct coal liquefaction design based on two stage direct coupled catalytic reactors. This primary objective is to be accomplished by completing the following: a base line design based on previous DOE/PETC results from Wilsonville pilot plant and other engineering evaluations; a cost estimate and economic analysis; a computer model incorporating the above two steps over a wide range of capacities and selected process alternatives; a comprehensive training program for DOE/PETC Staff to understand and use the computer model; a thorough documentation of all underlyingmore » assumptions for baseline economics; and a user manual and training material which will facilitate updating of the model in the future.« less

  15. Direct coal liquefaction baseline design and system analysis

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1991-04-01

    The primary objective of the study is to develop a computer model for a base line direct coal liquefaction design based on two stage direct coupled catalytic reactors. This primary objective is to be accomplished by completing the following: a base line design based on previous DOE/PETC results from Wilsonville pilot plant and other engineering evaluations; a cost estimate and economic analysis; a computer model incorporating the above two steps over a wide range of capacities and selected process alternatives; a comprehensive training program for DOE/PETC Staff to understand and use the computer model; a thorough documentation of all underlyingmore » assumptions for baseline economics; and a user manual and training material which will facilitate updating of the model in the future.« less

  16. Computer-aided design of polymers and composites

    NASA Technical Reports Server (NTRS)

    Kaelble, D. H.

    1985-01-01

    This book on computer-aided design of polymers and composites introduces and discusses the subject from the viewpoint of atomic and molecular models. Thus, the origins of stiffness, strength, extensibility, and fracture toughness in composite materials can be analyzed directly in terms of chemical composition and molecular structure. Aspects of polymer composite reliability are considered along with characterization techniques for composite reliability, relations between atomic and molecular properties, computer aided design and manufacture, polymer CAD/CAM models, and composite CAD/CAM models. Attention is given to multiphase structural adhesives, fibrous composite reliability, metal joint reliability, polymer physical states and transitions, chemical quality assurance, processability testing, cure monitoring and management, nondestructive evaluation (NDE), surface NDE, elementary properties, ionic-covalent bonding, molecular analysis, acid-base interactions, the manufacturing science, and peel mechanics.

  17. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Savic, Vesna; Hector, Louis G.; Ezzat, Hesham

    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 andmore » partitioning (Q&P) heat treatment, as an example.« less

  18. Operation of the computer model for direct atomic oxygen exposure of Earth satellites

    NASA Technical Reports Server (NTRS)

    Bourassa, R. J.; Gruenbaum, P. E.; Gillis, J. R.; Hargraves, C. R.

    1995-01-01

    One of the primary causes of material degradation in low Earth orbit (LEO) is exposure to atomic oxygen. When atomic oxygen molecules collide with an orbiting spacecraft, the relative velocity is 7 to 8 km/sec and the collision energy is 4 to 5 eV per atom. Under these conditions, atomic oxygen may initiate a number of chemical and physical reactions with exposed materials. These reactions contribute to material degradation, surface erosion, and contamination. Interpretation of these effects on materials and the design of space hardware to withstand on-orbit conditions requires quantitative knowledge of the atomic oxygen exposure environment. Atomic oxygen flux is a function of orbit altitude, the orientation of the orbit plan to the Sun, solar and geomagnetic activity, and the angle between exposed surfaces and the spacecraft heading. We have developed a computer model to predict the atomic oxygen exposure of spacecraft in low Earth orbit. The application of this computer model is discussed.

  19. Recent Accomplishments and Future Directions in US Fusion Safety & Environmental Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    David A. Petti; Brad J. Merrill; Phillip Sharpe

    2006-07-01

    The US fusion program has long recognized that the safety and environmental (S&E) potential of fusion can be attained by prudent materials selection, judicious design choices, and integration of safety requirements into the design of the facility. To achieve this goal, S&E research is focused on understanding the behavior of the largest sources of radioactive and hazardous materials in a fusion facility, understanding how energy sources in a fusion facility could mobilize those materials, developing integrated state of the art S&E computer codes and risk tools for safety assessment, and evaluating S&E issues associated with current fusion designs. In thismore » paper, recent accomplishments are reviewed and future directions outlined.« less

  20. Pareto fronts for multiobjective optimization design on materials data

    NASA Astrophysics Data System (ADS)

    Gopakumar, Abhijith; Balachandran, Prasanna; Gubernatis, James E.; Lookman, Turab

    Optimizing multiple properties simultaneously is vital in materials design. Here we apply infor- mation driven, statistical optimization strategies blended with machine learning methods, to address multi-objective optimization tasks on materials data. These strategies aim to find the Pareto front consisting of non-dominated data points from a set of candidate compounds with known character- istics. The objective is to find the pareto front in as few additional measurements or calculations as possible. We show how exploration of the data space to find the front is achieved by using uncer- tainties in predictions from regression models. We test our proposed design strategies on multiple, independent data sets including those from computations as well as experiments. These include data sets for Max phases, piezoelectrics and multicomponent alloys.

  1. Rational design of new electrolyte materials for electrochemical double layer capacitors

    NASA Astrophysics Data System (ADS)

    Schütter, Christoph; Husch, Tamara; Viswanathan, Venkatasubramanian; Passerini, Stefano; Balducci, Andrea; Korth, Martin

    2016-09-01

    The development of new electrolytes is a centerpiece of many strategies to improve electrochemical double layer capacitor (EDLC) devices. We present here a computational screening-based rational design approach to find new electrolyte materials. As an example application, the known chemical space of almost 70 million compounds is investigated in search of electrochemically more stable solvents. Cyano esters are identified as especially promising new compound class. Theoretical predictions are validated with subsequent experimental studies on a selected case. These studies show that based on theoretical predictions only, a previously untested, but very well performing compound class was identified. We thus find that our rational design strategy is indeed able to successfully identify completely new materials with substantially improved properties.

  2. Bowtie filters for dedicated breast CT: Theory and computational implementation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kontson, Kimberly, E-mail: Kimberly.Kontson@fda.hhs.gov; Jennings, Robert J.

    Purpose: To design bowtie filters with improved properties for dedicated breast CT to improve image quality and reduce dose to the patient. Methods: The authors present three different bowtie filters designed for a cylindrical 14-cm diameter phantom with a uniform composition of 40/60 breast tissue, which vary in their design objectives and performance improvements. Bowtie design #1 is based on single material spectral matching and produces nearly uniform spectral shape for radiation incident upon the detector. Bowtie design #2 uses the idea of basis material decomposition to produce the same spectral shape and intensity at the detector, using two differentmore » materials. Bowtie design #3 eliminates the beam hardening effect in the reconstructed image by adjusting the bowtie filter thickness so that the effective attenuation coefficient for every ray is the same. All three designs are obtained using analytical computational methods and linear attenuation coefficients. Thus, the designs do not take into account the effects of scatter. The authors considered this to be a reasonable approach to the filter design problem since the use of Monte Carlo methods would have been computationally intensive. The filter profiles for a cone-angle of 0° were used for the entire length of each filter because the differences between those profiles and the correct cone-beam profiles for the cone angles in our system are very small, and the constant profiles allowed construction of the filters with the facilities available to us. For evaluation of the filters, we used Monte Carlo simulation techniques and the full cone-beam geometry. Images were generated with and without each bowtie filter to analyze the effect on dose distribution, noise uniformity, and contrast-to-noise ratio (CNR) homogeneity. Line profiles through the reconstructed images generated from the simulated projection images were also used as validation for the filter designs. Results: Examples of the three designs are presented. Initial verification of performance of the designs was done using analytical computations of HVL, intensity, and effective attenuation coefficient behind the phantom as a function of fan-angle with a cone-angle of 0°. The performance of the designs depends only weakly on incident spectrum and tissue composition. For all designs, the dynamic range requirement on the detector was reduced compared to the no-bowtie-filter case. Further verification of the filter designs was achieved through analysis of reconstructed images from simulations. Simulation data also showed that the use of our bowtie filters can reduce peripheral dose to the breast by 61% and provide uniform noise and CNR distributions. The bowtie filter design concepts validated in this work were then used to create a computational realization of a 3D anthropomorphic bowtie filter capable of achieving a constant effective attenuation coefficient behind the entire field-of-view of an anthropomorphic breast phantom. Conclusions: Three different bowtie filter designs that vary in performance improvements were described and evaluated using computational and simulation techniques. Results indicate that the designs are robust against variations in breast diameter, breast composition, and tube voltage, and that the use of these filters can reduce patient dose and improve image quality compared to the no-bowtie-filter case.« less

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Guo, Shengmin

    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 validationmore » 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 TaZr 2.75O 8 and confirmed it’s hot corrosion performance.« less

  4. Considerations in computer-aided design for inlay cranioplasty: technical note.

    PubMed

    Nout, Erik; Mommaerts, Maurice Y

    2018-03-01

    Cranioplasty is a frequently performed procedure that uses a variety of reconstruction materials and techniques. In this technical note, we present refinements of computer-aided design-computer-aided manufacturing inlay cranioplasty. In an attempt to decrease complications related to polyether-ether-ketone (PEEK) cranioplasty, we gradually made changes to implant design and cranioplasty techniques. These changes include under-contouring of the implant and the use of segmented plates for large defects, microplate fixation for small temporal defects, temporal shell implants to reconstruct the temporalis muscle, and perforations to facilitate the drainage of blood and cerebrospinal fluid and serve as fixation points. From June 2016 to June 2017, 18 patients underwent cranioplasty, and a total of 31 PEEK and titanium implants were inserted. All implants were successful. These changes to implant design and cranioplasty techniques facilitate the insertion and fixation of patient-specific cranial implants and improve esthetic outcomes.

  5. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

    NASA Astrophysics Data System (ADS)

    Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy; Chen, Wei; Richards, William Davidson; Dacek, Stephen; Cholia, Shreyas; Gunter, Dan; Skinner, David; Ceder, Gerbrand; Persson, Kristin A.

    2013-07-01

    Accelerating the discovery of advanced materials is essential for human welfare and sustainable, clean energy. In this paper, we introduce the Materials Project (www.materialsproject.org), a core program of the Materials Genome Initiative that uses high-throughput computing to uncover the properties of all known inorganic materials. This open dataset can be accessed through multiple channels for both interactive exploration and data mining. The Materials Project also seeks to create open-source platforms for developing robust, sophisticated materials analyses. Future efforts will enable users to perform ``rapid-prototyping'' of new materials in silico, and provide researchers with new avenues for cost-effective, data-driven materials design.

  6. Assessment of Readability and Learning of Easy-to-Read Educational Health Materials Designed and Written with the Help of Citizens by Means of Two Non-Alternative Methods

    ERIC Educational Resources Information Center

    Daghio, M. Monica; Fattori, Giuseppe; Ciardullo, Anna V.

    2006-01-01

    Objectives: We compared two non-alternative methods to assess the readability and learning of easy-to-read educational health materials co-written by physicians, educators and citizens. Methods: Data from seven easy-to-read materials were analyzed. Readability formulae, and ad hoc data on readability and learning were also computed. Results: The…

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

    NASA Astrophysics Data System (ADS)

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

    2017-05-01

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

  8. An FTIR point sensor for identifying chemical WMD and hazardous materials

    NASA Astrophysics Data System (ADS)

    Norman, Mark L.; Gagnon, Aaron M.; Reffner, John A.; Schiering, David W.; Allen, Jeffrey D.

    2004-03-01

    A new point sensor for identifying chemical weapons of mass destruction and other hazardous materials based on Fourier transform infrared (FT-IR) spectroscopy is presented. The sensor is a portable, fully functional FT-IR system that features a miniaturized Michelson interferometer, an integrated diamond attenuated total reflection (ATR) sample interface, and an embedded on-board computer. Samples are identified by an automated search algorithm that compares their infrared spectra to digitized databases that include reference spectra of nerve and blister agents, toxic industrial chemicals, and other hazardous materials. The hardware and software are designed for use by technicians with no background in infrared spectroscopy. The unit, which is fully self-contained, can be hand-carried and used in a hot zone by personnel in Level A protective gear, and subsequently decontaminated by spraying or immersion. Wireless control by a remote computer is also possible. Details of the system design and performance, including results of field validation tests, are discussed.

  9. Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach

    NASA Astrophysics Data System (ADS)

    Huang, Yanhui; Zhao, He; Wang, Yixing; Ratcliff, Tyree; Breneman, Curt; Brinson, L. Catherine; Chen, Wei; Schadler, Linda S.

    2017-08-01

    It has been found that doping dielectric polymers with a small amount of nanofiller or molecular additive can stabilize the material under a high field and lead to increased breakdown strength and lifetime. Choosing appropriate fillers is critical to optimizing the material performance, but current research largely relies on experimental trial and error. The employment of computer simulations for nanodielectric design is rarely reported. In this work, we propose a multi-scale modeling approach that employs ab initio, Monte Carlo, and continuum scales to predict the breakdown strength and lifetime of polymer nanocomposites based on the charge trapping effect of the nanofillers. The charge transfer, charge energy relaxation, and space charge effects are modeled in respective hierarchical scales by distinctive simulation techniques, and these models are connected together for high fidelity and robustness. The preliminary results show good agreement with the experimental data, suggesting its promise for use in the computer aided material design of high performance dielectrics.

  10. A Computer Code for Gas Turbine Engine Weight And Disk Life Estimation

    NASA Technical Reports Server (NTRS)

    Tong, Michael T.; Ghosn, Louis J.; Halliwell, Ian; Wickenheiser, Tim (Technical Monitor)

    2002-01-01

    Reliable engine-weight estimation at the conceptual design stage is critical to the development of new aircraft engines. It helps to identify the best engine concept amongst several candidates. In this paper, the major enhancements to NASA's engine-weight estimate computer code (WATE) are described. These enhancements include the incorporation of improved weight-calculation routines for the compressor and turbine disks using the finite-difference technique. Furthermore, the stress distribution for various disk geometries was also incorporated, for a life-prediction module to calculate disk life. A material database, consisting of the material data of most of the commonly-used aerospace materials, has also been incorporated into WATE. Collectively, these enhancements provide a more realistic and systematic way to calculate the engine weight. They also provide additional insight into the design trade-off between engine life and engine weight. To demonstrate the new capabilities, the enhanced WATE code is used to perform an engine weight/life trade-off assessment on a production aircraft engine.

  11. DOE Office of Scientific and Technical Information (OSTI.GOV)

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

    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 suchmore » 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.« less

  12. Emerging Nanophotonic Applications Explored with Advanced Scientific Parallel Computing

    NASA Astrophysics Data System (ADS)

    Meng, Xiang

    The domain of nanoscale optical science and technology is a combination of the classical world of electromagnetics and the quantum mechanical regime of atoms and molecules. Recent advancements in fabrication technology allows the optical structures to be scaled down to nanoscale size or even to the atomic level, which are far smaller than the wavelength they are designed for. These nanostructures can have unique, controllable, and tunable optical properties and their interactions with quantum materials can have important near-field and far-field optical response. Undoubtedly, these optical properties can have many important applications, ranging from the efficient and tunable light sources, detectors, filters, modulators, high-speed all-optical switches; to the next-generation classical and quantum computation, and biophotonic medical sensors. This emerging research of nanoscience, known as nanophotonics, is a highly interdisciplinary field requiring expertise in materials science, physics, electrical engineering, and scientific computing, modeling and simulation. It has also become an important research field for investigating the science and engineering of light-matter interactions that take place on wavelength and subwavelength scales where the nature of the nanostructured matter controls the interactions. In addition, the fast advancements in the computing capabilities, such as parallel computing, also become as a critical element for investigating advanced nanophotonic devices. This role has taken on even greater urgency with the scale-down of device dimensions, and the design for these devices require extensive memory and extremely long core hours. Thus distributed computing platforms associated with parallel computing are required for faster designs processes. Scientific parallel computing constructs mathematical models and quantitative analysis techniques, and uses the computing machines to analyze and solve otherwise intractable scientific challenges. In particular, parallel computing are forms of computation operating on the principle that large problems can often be divided into smaller ones, which are then solved concurrently. In this dissertation, we report a series of new nanophotonic developments using the advanced parallel computing techniques. The applications include the structure optimizations at the nanoscale to control both the electromagnetic response of materials, and to manipulate nanoscale structures for enhanced field concentration, which enable breakthroughs in imaging, sensing systems (chapter 3 and 4) and improve the spatial-temporal resolutions of spectroscopies (chapter 5). We also report the investigations on the confinement study of optical-matter interactions at the quantum mechanical regime, where the size-dependent novel properties enhanced a wide range of technologies from the tunable and efficient light sources, detectors, to other nanophotonic elements with enhanced functionality (chapter 6 and 7).

  13. Review: Polymeric-Based 3D Printing for Tissue Engineering.

    PubMed

    Wu, Geng-Hsi; Hsu, Shan-Hui

    Three-dimensional (3D) printing, also referred to as additive manufacturing, is a technology that allows for customized fabrication through computer-aided design. 3D printing has many advantages in the fabrication of tissue engineering scaffolds, including fast fabrication, high precision, and customized production. Suitable scaffolds can be designed and custom-made based on medical images such as those obtained from computed tomography. Many 3D printing methods have been employed for tissue engineering. There are advantages and limitations for each method. Future areas of interest and progress are the development of new 3D printing platforms, scaffold design software, and materials for tissue engineering applications.

  14. An Integrated RFID and Barcode Tagged Item Inventory System for Deployment at New Brunswick Laboratory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Younkin, James R; Kuhn, Michael J; Gradle, Colleen

    New Brunswick Laboratory (NBL) has a numerous inventory containing thousands of plutonium and uranium certified reference materials. The current manual inventory process is well established but is a lengthy process which requires significant oversight and double checking to ensure correctness. Oak Ridge National Laboratory has worked with NBL to develop and deploy a new inventory system which utilizes handheld computers with barcode scanners and radio frequency identification (RFID) readers termed the Tagged Item Inventory System (TIIS). Certified reference materials are identified by labels which incorporate RFID tags and barcodes. The label printing process and RFID tag association process are integratedmore » into the main desktop software application. Software on the handheld computers syncs with software on designated desktop machines and the NBL inventory database to provide a seamless inventory process. This process includes: 1) identifying items to be inventoried, 2) downloading the current inventory information to the handheld computer, 3) using the handheld to read item and location labels, and 4) syncing the handheld computer with a designated desktop machine to analyze the results, print reports, etc. The security of this inventory software has been a major concern. Designated roles linked to authenticated logins are used to control access to the desktop software while password protection and badge verification are used to control access to the handheld computers. The overall system design and deployment at NBL will be presented. The performance of the system will also be discussed with respect to a small piece of the overall inventory. Future work includes performing a full inventory at NBL with the Tagged Item Inventory System and comparing performance, cost, and radiation exposures to the current manual inventory process.« less

  15. XDesign: an open-source software package for designing X-ray imaging phantoms and experiments.

    PubMed

    Ching, Daniel J; Gürsoy, Dogˇa

    2017-03-01

    The development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

  16. XDesign: An open-source software package for designing X-ray imaging phantoms and experiments

    DOE PAGES

    Ching, Daniel J.; Gursoy, Dogˇa

    2017-02-21

    Here, the development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

  17. Endodontic Management of a Mandibular First Molar with Radix Entomolaris and Conservative Post-endodontic Restoration with CAD/CAM Onlay: A Novel Clinical Technique

    PubMed Central

    De Ataide, Ida De Noronha; Fernandes, Marina; Lambor, Rajan; Alreja, Dalip

    2016-01-01

    This case report describes a novel technique of restoring endodontically treated teeth. Hidden caries causing irreversible pulpitis in a mandibular molar with Radix Entomolaris (RE) was evident. The intact occlusal surface anatomy was duplicated before preparing an access cavity to replicate the original occlusal surface in the post endodontic restoration using (Computer-Aided Design and Computer-Aided Manufacturing) CAD/CAM technique. This report highlights uniquely designed onlay utilizing the benefits of contemporary materials and advanced technology. PMID:28050515

  18. NASA Tech Briefs, December 1996. Volume 20, No. 12

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics: Design and Analysis Software; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports

  19. Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

    DOE PAGES

    Isaacs, Eric B.; Wolverton, Chris

    2018-02-26

    Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an outstanding challenge. In order to address this inverse band structure design problem, we devise an approach using materials database screening with materials attributes based on the constituent elements, nominal electron count, crystal structure, and thermodynamics. Our strategy is tested in the context of thermoelectric materials, for which a targeted band structure containing both flat and dispersive components with respect to crystal momentum is highly desirable.more » We screen for thermodynamically stable or metastable compounds containing d 8 transition metals coordinated by anions in a square planar geometry in order to mimic the properties of recently identified oxide thermoelectrics with such a band structure. In doing so, we identify 157 compounds out of a total of over half a million candidates. After further screening based on electronic band gap and structural anisotropy, we explicitly compute the band structures for the several of the candidates in order to validate the approach. We successfully find two new oxide systems that achieve the targeted band structure. Electronic transport calculations on these two compounds, Ba 2PdO 3 and La 4PdO 7, confirm promising thermoelectric power factor behavior for the compounds. This methodology is easily adapted to other targeted band structures and should be widely applicable to a variety of design problems.« less

  20. Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Isaacs, Eric B.; Wolverton, Chris

    Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an outstanding challenge. In order to address this inverse band structure design problem, we devise an approach using materials database screening with materials attributes based on the constituent elements, nominal electron count, crystal structure, and thermodynamics. Our strategy is tested in the context of thermoelectric materials, for which a targeted band structure containing both flat and dispersive components with respect to crystal momentum is highly desirable.more » We screen for thermodynamically stable or metastable compounds containing d 8 transition metals coordinated by anions in a square planar geometry in order to mimic the properties of recently identified oxide thermoelectrics with such a band structure. In doing so, we identify 157 compounds out of a total of over half a million candidates. After further screening based on electronic band gap and structural anisotropy, we explicitly compute the band structures for the several of the candidates in order to validate the approach. We successfully find two new oxide systems that achieve the targeted band structure. Electronic transport calculations on these two compounds, Ba 2PdO 3 and La 4PdO 7, confirm promising thermoelectric power factor behavior for the compounds. This methodology is easily adapted to other targeted band structures and should be widely applicable to a variety of design problems.« less

  1. Computer Based Porosity Design by Multi Phase Topology Optimization

    NASA Astrophysics Data System (ADS)

    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. A Preliminary Validation of Attention, Relevance, Confidence and Satisfaction Model-Based Instructional Material Motivational Survey in a Computer-Based Tutorial Setting

    ERIC Educational Resources Information Center

    Huang, Wenhao; Huang, Wenyeh; Diefes-Dux, Heidi; Imbrie, Peter K.

    2006-01-01

    This paper describes a preliminary validation study of the Instructional Material Motivational Survey (IMMS) derived from the Attention, Relevance, Confidence and Satisfaction motivational design model. Previous studies related to the IMMS, however, suggest its practical application for motivational evaluation in various instructional settings…

  3. Design and fabrication of durable owner-built wind turbine blades

    NASA Astrophysics Data System (ADS)

    Queeney, R. A.

    To find the configuration of materials that will produce lightweight, durable wind tubine blades, a composite material blade consisting of an aluminum tubing spar, a foam insulating filler and a glass reinforced plastic skin was analyzed. Various tensile and creep tests were conducted on model blades, and a computer analysis determined the best configuration for the blade.

  4. Competence-Based, Research-Related Lab Courses for Materials Modeling: The Case of Organic Photovoltaics

    ERIC Educational Resources Information Center

    Schellhammer, Karl Sebastian; Cuniberti, Gianaurelio

    2017-01-01

    We are hereby presenting a didactic concept for an advanced lab course that focuses on the design of donor materials for organic solar cells. Its research-related and competence-based approach qualifies the students to independently and creatively apply computational methods and to profoundly and critically discuss the results obtained. The high…

  5. Low-Cost Magnetic Stirrer from Recycled Computer Parts with Optional Hot Plate

    ERIC Educational Resources Information Center

    Guidote, Armando M., Jr.; Pacot, Giselle Mae M.; Cabacungan, Paul M.

    2015-01-01

    Magnetic stirrers and hot plates are key components of science laboratories. However, these are not readily available in many developing countries due to their high cost. This article describes the design of a low-cost magnetic stirrer with hot plate from recycled materials. Some of the materials used are neodymium magnets and CPU fans from…

  6. PASCO: Structural panel analysis and sizing code: Users manual - Revised

    NASA Technical Reports Server (NTRS)

    Anderson, M. S.; Stroud, W. J.; Durling, B. J.; Hennessy, K. W.

    1981-01-01

    A computer code denoted PASCO is described for analyzing and sizing uniaxially stiffened composite panels. Buckling and vibration analyses are carried out with a linked plate analysis computer code denoted VIPASA, which is included in PASCO. Sizing is based on nonlinear mathematical programming techniques and employs a computer code denoted CONMIN, also included in PASCO. Design requirements considered are initial buckling, material strength, stiffness and vibration frequency. A user's manual for PASCO is presented.

  7. Effect of Premolar Axial Wall Height on Computer-Aided Design/Computer-Assisted Manufacture Crown Retention.

    PubMed

    Martin, Curt; Harris, Ashley; DuVall, Nicholas; Wajdowicz, Michael; Roberts, Howard Wayne

    2018-03-28

    To evaluate the effect of premolar axial wall height on the retention of adhesive, full-coverage, computer-aided design/computer-assisted manufacture (CAD/CAM) restorations. A total of 48 premolar teeth randomized into four groups (n = 12 per group) received all-ceramic CAD/CAM restorations with axial wall heights (AWH) of 3, 2, 1, and 0 mm and 16-degree total occlusal convergence (TOC). Specimens were restored with lithium disilicate material and cemented with self-adhesive resin cement. Specimens were loaded to failure after 24 hours. The 3- and 2-mm AWH specimens demonstrated significantly greater failure load. Failure analysis suggests a 2-mm minimum AWH for premolars with a TOC of 16 degrees. Adhesive technology may compensate for compromised AWH.

  8. Teaching Sight Words to Elementary Students With Intellectual Disability and Autism: A Comparison of Teacher-Directed Versus Computer-Assisted Simultaneous Prompting.

    PubMed

    Coleman, Mari Beth; Cherry, Rebecca A; Moore, Tara C; Park, Yujeong; Cihak, David F

    2015-06-01

    The purpose of this study was to compare the effects of teacher-directed simultaneous prompting to computer-assisted simultaneous prompting for teaching sight words to 3 elementary school students with intellectual disability. Activities in the computer-assisted condition were designed with Intellitools Classroom Suite software whereas traditional materials (i.e., flashcards) were used in the teacher-directed condition. Treatment conditions were compared using an adapted alternating treatments design. Acquisition of sight words occurred in both conditions for all 3 participants; however, each participant either clearly responded better in the teacher-directed condition or reported a preference for the teacher-directed condition when performance was similar with computer-assisted instruction being more efficient. Practical implications and directions for future research are discussed.

  9. Silk-Its Mysteries, How It Is Made, and How It Is Used.

    PubMed

    Ebrahimi, Davoud; Tokareva, Olena; Rim, Nae Gyune; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

    2015-10-12

    This article reviews fundamental and applied aspects of silk-one of Nature's most intriguing materials in terms of its strength, toughness, and biological role-in its various forms, from protein molecules to webs and cocoons, in the context of mechanical and biological properties. A central question that will be explored is how the bridging of scales and the emergence of hierarchical structures are critical elements in achieving novel material properties, and how this knowledge can be explored in the design of synthetic materials. We review how the function of a material system at the macroscale can be derived from the interplay of fundamental molecular building blocks. Moreover, guidelines and approaches to current experimental and computational designs in the field of synthetic silklike materials are provided to assist the materials science community in engineering customized finetuned biomaterials for biomedical applications.

  10. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kornreich, Drew E; Vaidya, Rajendra U; Ammerman, Curtt N

    Integrated Computational Materials Engineering (ICME) is a novel overarching approach to bridge length and time scales in computational materials science and engineering. This approach integrates all elements of multi-scale modeling (including various empirical and science-based models) with materials informatics to provide users the opportunity to tailor material selections based on stringent application needs. Typically, materials engineering has focused on structural requirements (stress, strain, modulus, fracture toughness etc.) while multi-scale modeling has been science focused (mechanical threshold strength model, grain-size models, solid-solution strengthening models etc.). Materials informatics (mechanical property inventories) on the other hand, is extensively data focused. All of thesemore » elements are combined within the framework of ICME to create architecture for the development, selection and design new composite materials for challenging environments. We propose development of the foundations for applying ICME to composite materials development for nuclear and high-radiation environments (including nuclear-fusion energy reactors, nuclear-fission reactors, and accelerators). We expect to combine all elements of current material models (including thermo-mechanical and finite-element models) into the ICME framework. This will be accomplished through the use of a various mathematical modeling constructs. These constructs will allow the integration of constituent models, which in tum would allow us to use the adaptive strengths of using a combinatorial scheme (fabrication and computational) for creating new composite materials. A sample problem where these concepts are used is provided in this summary.« less

  11. Computational Design for Multifunctional Microstructural Composites

    NASA Astrophysics Data System (ADS)

    Chen, Yuhang; Zhou, Shiwei; Li, Qing

    As an important class of natural and engineered materials, periodic microstructural composites have drawn substantial attention from the material research community for their excellent flexibility in tailoring various desirable physical behaviors. To develop periodic cellular composites for multifunctional applications, this paper presents a unified design framework for combining stiffness and a range of physical properties governed by quasi-harmonic partial differential equations. A multiphase microstructural configuration is sought within a periodic base-cell design domain using topology optimization. To deal with conflicting properties, e.g. conductivity/permeability versus bulk modulus, the optimum is sought in a Pareto sense. Illustrative examples demonstrate the capability of the presented procedure for the design of multiphysical composites and tissue scaffolds.

  12. Creating Multimedia Courseware for ESP.

    ERIC Educational Resources Information Center

    Goertzen, Philip; Howard, Ron

    1995-01-01

    This report details the development of computer software to teach English-as-a-Second-Language skills for medical diagnosis. Design of a prototype unit of multimedia materials using a common authoring tool required about 300 hours of work over a period of 9 months. The report describes the overall design of the courseware, hardware used, stages of…

  13. 75 FR 59411 - Defense Federal Acquisition Regulation Supplement; Patents, Data, and Copyrights (DFARS Case 2010...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-27

    ....'' The items ``design details, algorithms, processes, flow charts, formulas, and related material that describe the design, organization, or structure'' of computer software had been added to the current... 252.227-7018, which serves as the post-award complement to the pre-award identification and assertion...

  14. Infinite possibilities: Computational structures technology

    NASA Astrophysics Data System (ADS)

    Beam, Sherilee F.

    1994-12-01

    Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will evolve. By using CST in the design and operation of future structures systems, engineers will have a better understanding of how a system responds and lasts, more cost-effective methods of designing and testing models, and improved productivity. For informational and educational purposes, a videotape is being produced using both static and dynamic images from research institutions, software and hardware companies, private individuals, and historical photographs and drawings. The extensive number of CST resources indicates its widespread use. Applications run the gamut from simpler university-simulated problems to those requiring solutions on supercomputers. In some cases, an image or an animation will be mapped onto the actual structure to show the relevance of the computer model to the structure.

  15. Infinite possibilities: Computational structures technology

    NASA Technical Reports Server (NTRS)

    Beam, Sherilee F.

    1994-01-01

    Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will evolve. By using CST in the design and operation of future structures systems, engineers will have a better understanding of how a system responds and lasts, more cost-effective methods of designing and testing models, and improved productivity. For informational and educational purposes, a videotape is being produced using both static and dynamic images from research institutions, software and hardware companies, private individuals, and historical photographs and drawings. The extensive number of CST resources indicates its widespread use. Applications run the gamut from simpler university-simulated problems to those requiring solutions on supercomputers. In some cases, an image or an animation will be mapped onto the actual structure to show the relevance of the computer model to the structure. Transferring the digital files to videotape presents a number of problems related to maintaining the quality of the original image, while still producing a broadcast quality videotape. Since researchers normally do not create a computer image using traditional composition theories or video production requirements, often the image loses some of its original digital quality and impact when transferred to videotape. Although many CST images are currently available, those that are edited into the final project must meet two important criteria: they must complement the narration, and they must be broadcast quality when recorded on videotape.

  16. The use of supercomputer modelling of high-temperature failure in pipe weldments to optimize weld and heat affected zone materials property selection

    NASA Astrophysics Data System (ADS)

    Wang, Z. P.; Hayhurst, D. R.

    1994-07-01

    The creep deformation and damage evolution in a pipe weldment has been modeled by using the finite-element continuum damage mechanics (CDM) method. The finite-element CDM computer program DAMAGE XX has been adapted to run with increased speed on a Cray XMP/416 supercomputer. Run times are sufficiently short (20 min) to permit many parametric studies to be carried out on vessel lifetimes for different weld and heat affected zone (HAZ) materials. Finite-element mesh sensitivity was studied first in order to select a mesh capable of correctly predicting experimentally observed results using at least possible computer time. A study was then made of the effect on the lifetime of a butt welded vessel of each of the commomly measured material parameters for the weld and HAZ materials. Forty different ferritic steel welded vessels were analyzed for a constant internal pressure of 45.5 MPa at a temperature of 565 C; each vessel having the same parent pipe material but different weld and HAZ materials. A lifetime improvement has been demonstrated of 30% over that obtained for the initial materials property data. A methodology for weldment design has been established which uses supercomputer-based CDM analysis techniques; it is quick to use, provides accurate results, and is a viable design tool.

  17. Structural Loads Analysis for Wave Energy Converters

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    van Rij, Jennifer A; Yu, Yi-Hsiang; Guo, Yi

    2017-06-03

    This study explores and verifies the generalized body-modes method for evaluating the structural loads on a wave energy converter (WEC). Historically, WEC design methodologies have focused primarily on accurately evaluating hydrodynamic loads, while methodologies for evaluating structural loads have yet to be fully considered and incorporated into the WEC design process. As wave energy technologies continue to advance, however, it has become increasingly evident that an accurate evaluation of the structural loads will enable an optimized structural design, as well as the potential utilization of composites and flexible materials, and hence reduce WEC costs. Although there are many computational fluidmore » dynamics, structural analyses and fluid-structure-interaction (FSI) codes available, the application of these codes is typically too computationally intensive to be practical in the early stages of the WEC design process. The generalized body-modes method, however, is a reduced order, linearized, frequency-domain FSI approach, performed in conjunction with the linear hydrodynamic analysis, with computation times that could realistically be incorporated into the WEC design process.« less

  18. Line drawing of STS-34 middeck experiment Polymer Morphology (PM)

    NASA Technical Reports Server (NTRS)

    1989-01-01

    STS-34 middeck experiment Polymer Morphology (PM) and its apparatus is illustrated in this line drawing. Apparatus for the experiment, developed by 3M, includes a Fournier transform infrared (FTIR) spectrometer, an automatic sample manipulating system and a process control and data acquisition computer known as the Generic Electronics Module (GEM). STS-34 mission specialists will interface with the PM experiment through a small, NASA-supplied laptop computer that is used as an input and output device for the main PM computer. PM experiment is an organic materials processing experiment designed to explore the effects of microgravity on polymeric materials as they are processed in space and is being conducted by 3M's Space Research and Applications Laboratory.

  19. Rapid Analysis of Mass Distribution of Radiation Shielding

    NASA Technical Reports Server (NTRS)

    Zapp, Edward

    2007-01-01

    Radiation Shielding Evaluation Toolset (RADSET) is a computer program that rapidly calculates the spatial distribution of mass of an arbitrary structure for use in ray-tracing analysis of the radiation-shielding properties of the structure. RADSET was written to be used in conjunction with unmodified commercial computer-aided design (CAD) software that provides access to data on the structure and generates selected three-dimensional-appearing views of the structure. RADSET obtains raw geometric, material, and mass data on the structure from the CAD software. From these data, RADSET calculates the distribution(s) of the masses of specific materials about any user-specified point(s). The results of these mass-distribution calculations are imported back into the CAD computing environment, wherein the radiation-shielding calculations are performed.

  20. Multi-scale Material Parameter Identification Using LS-DYNA® and LS-OPT®

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stander, Nielen; Basudhar, Anirban; Basu, Ushnish

    2015-06-15

    Ever-tightening regulations on fuel economy and carbon emissions demand continual innovation in finding ways for reducing vehicle mass. Classical methods for computational mass reduction include sizing, shape and topology optimization. One of the few remaining options for weight reduction can be found in materials engineering and material design optimization. Apart from considering different types of materials by adding material diversity, an appealing option in automotive design is to engineer steel alloys for the purpose of reducing thickness while retaining sufficient strength and ductility required for durability and safety. Such a project was proposed and is currently being executed under themore » auspices of the United States Automotive Materials Partnership (USAMP) funded by the Department of Energy. Under this program, new steel alloys (Third Generation Advanced High Strength Steel or 3GAHSS) are being designed, tested and integrated with the remaining design variables of a benchmark vehicle Finite Element model. In this project the principal phases identified are (i) material identification, (ii) formability optimization and (iii) multi-disciplinary vehicle optimization. This paper serves as an introduction to the LS-OPT methodology and therefore mainly focuses on the first phase, namely an approach to integrate material identification using material models of different length scales. For this purpose, a multi-scale material identification strategy, consisting of a Crystal Plasticity (CP) material model and a Homogenized State Variable (SV) model, is discussed and demonstrated. The paper concludes with proposals for integrating the multi-scale methodology into the overall vehicle design.« less

  1. Computer simulation of the NASA water vapor electrolysis reactor

    NASA Technical Reports Server (NTRS)

    Bloom, A. M.

    1974-01-01

    The water vapor electrolysis (WVE) reactor is a spacecraft waste reclamation system for extended-mission manned spacecraft. The WVE reactor's raw material is water, its product oxygen. A computer simulation of the WVE operational processes provided the data required for an optimal design of the WVE unit. The simulation process was implemented with the aid of a FORTRAN IV routine.

  2. Who Needs What: Recommendations for Designing Effective Online Professional Development for Computer Science Teachers

    ERIC Educational Resources Information Center

    Qian, Yizhou; Hambrusch, Susanne; Yadav, Aman; Gretter, Sarah

    2018-01-01

    The new Advanced Placement (AP) Computer Science (CS) Principles course increases the need for quality CS teachers and thus the need for professional development (PD). This article presents the results of a 2-year study investigating how teachers teaching the AP CS Principles course for the first time used online PD material. Our results showed…

  3. Summer Institute to Train Data Processing Teachers for the New Oklahoma State-Wide Computer Science System, Phase II. Final Report.

    ERIC Educational Resources Information Center

    Tuttle, Francis

    Twenty-three instructors participated in an 8-week summer institute to develop their technical competency to teach the second year of a 2-year Technical Education Computer Science Program. Instructional material covered the following areas: (1) compiler languages and systems design, (2) cost studies, (3) business organization, (4) advanced…

  4. CNC Turning Center Operations and Prove Out. Computer Numerical Control Operator/Programmer. 444-334.

    ERIC Educational Resources Information Center

    Skowronski, Steven D.

    This student guide provides materials for a course designed to instruct the student in the recommended procedures used when setting up tooling and verifying part programs for a two-axis computer numerical control (CNC) turning center. The course consists of seven units. Unit 1 discusses course content and reviews and demonstrates set-up procedures…

  5. Science Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1985

    1985-01-01

    Presents 23 experiments, activities, field projects and computer programs in the biological and physical sciences. Instructional procedures, experimental designs, materials, and background information are suggested. Topics include fluid mechanics, electricity, crystals, arthropods, limpets, acid neutralization, and software evaluation. (ML)

  6. Computer mediated decision making : phase 2

    DOT National Transportation Integrated Search

    1999-02-01

    The presentation of highly technical information during the public phases of complex design projects is often complicated by the participants' inability to understand the terminology and interpret the materials provided. The research was undertaken a...

  7. 46 CFR 162.161-5 - Instruction manual for design, installation, operation, and maintenance.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... (CONTINUED) EQUIPMENT, CONSTRUCTION, AND MATERIALS: SPECIFICATIONS AND APPROVAL ENGINEERING EQUIPMENT Fixed... for halocarbon systems and UL 2127 for inert gas systems; (3) Identification of the computer program...

  8. 46 CFR 162.161-5 - Instruction manual for design, installation, operation, and maintenance.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... (CONTINUED) EQUIPMENT, CONSTRUCTION, AND MATERIALS: SPECIFICATIONS AND APPROVAL ENGINEERING EQUIPMENT Fixed... for halocarbon systems and UL 2127 for inert gas systems; (3) Identification of the computer program...

  9. Aeronautics Technology Possibilities for 2000: Report of a Workshop

    NASA Technical Reports Server (NTRS)

    1984-01-01

    Topics discussed include: Aerodynamics; Propulsion; Structural Analysis and Design Technology; Materials for Structural Members, Propulsion Systems, and Subsystems; Guidance, Navigation, and Control; Computer and Information Technology; Human Factors Engineering; Systems Integration.

  10. Design for cyclic loading endurance of composites

    NASA Technical Reports Server (NTRS)

    Shiao, Michael C.; Murthy, Pappu L. N.; Chamis, Christos C.; Liaw, Leslie D. G.

    1993-01-01

    The application of the computer code IPACS (Integrated Probabilistic Assessment of Composite Structures) to aircraft wing type structures is described. The code performs a complete probabilistic analysis for composites taking into account the uncertainties in geometry, boundary conditions, material properties, laminate lay-ups, and loads. Results of the analysis are presented in terms of cumulative distribution functions (CDF) and probability density function (PDF) of the fatigue life of a wing type composite structure under different hygrothermal environments subjected to the random pressure. The sensitivity of the fatigue life to a number of critical structural/material variables is also computed from the analysis.

  11. Chairside Fabrication of an All-Ceramic Partial Crown Using a Zirconia-Reinforced Lithium Silicate Ceramic

    PubMed Central

    Pabel, Anne-Kathrin; Rödiger, Matthias

    2016-01-01

    The chairside fabrication of a monolithic partial crown using a zirconia-reinforced lithium silicate (ZLS) ceramic is described. The fully digitized model-free workflow in a dental practice is possible due to the use of a powder-free intraoral scanner and the computer-aided design/computer-assisted manufacturing (CAD/CAM) of the restorations. The innovative ZLS material offers a singular combination of fracture strength (>370 Mpa), optimum polishing characteristics, and excellent optical properties. Therefore, this ceramic is an interesting alternative material for monolithic restorations produced in a digital workflow. PMID:27042362

  12. The Human Genome Project: Information access, management, and regulation. Final report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McInerney, J.D.; Micikas, L.B.

    The Human Genome Project is a large, internationally coordinated effort in biological research directed at creating a detailed map of human DNA. This report describes the access of information, management, and regulation of the project. The project led to the development of an instructional module titled The Human Genome Project: Biology, Computers, and Privacy, designed for use in high school biology classes. The module consists of print materials and both Macintosh and Windows versions of related computer software-Appendix A contains a copy of the print materials and discs containing the two versions of the software.

  13. Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: from zeolites, metal-organic frameworks to protein crystals.

    PubMed

    Jiang, Jianwen; Babarao, Ravichandar; Hu, Zhongqiao

    2011-07-01

    Nanoporous materials have widespread applications in chemical industry, but the pathway from laboratory synthesis and testing to practical utilization of nanoporous materials is substantially challenging and requires fundamental understanding from the bottom up. With ever-growing computational resources, molecular simulations have become an indispensable tool for material characterization, screening and design. This tutorial review summarizes the recent simulation studies in zeolites, metal-organic frameworks and protein crystals, and provides a molecular overview for energy, environmental and pharmaceutical applications of nanoporous materials with increasing degree of complexity in building blocks. It is demonstrated that molecular-level studies can bridge the gap between physical and engineering sciences, unravel microscopic insights that are otherwise experimentally inaccessible, and assist in the rational design of new materials. The review is concluded with major challenges in future simulation exploration of novel nanoporous materials for emerging applications.

  14. State of the art review on design and manufacture of hybrid biomedical materials: Hip and knee prostheses.

    PubMed

    Bahraminasab, Marjan; Farahmand, Farzam

    2017-09-01

    The trend in biomaterials development has now headed for tailoring the properties and making hybrid materials to achieve the optimal performance metrics in a product. Modern manufacturing processes along with advanced computational techniques enable systematical fabrication of new biomaterials by design strategy. Functionally graded materials as a recent group of hybrid materials have found numerous applications in biomedical area, particularly for making orthopedic prostheses. This article, therefore, seeks to address the following research questions: (RQ1) What is the desired structure of orthopedic hybrid materials? (RQ2) What is the contribution of the literature in the development of hybrid materials in the field of orthopedic research? (RQ3) Which type of manufacturing approaches is prevalently used to build these materials for knee and hip implants? (RQ4) Is there any inadequacy in the methods applied?

  15. Adaptive scapula bone remodeling computational simulation: Relevance to regenerative medicine

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sharma, Gulshan B., E-mail: gbsharma@ucalgary.ca; University of Pittsburgh, Swanson School of Engineering, Department of Bioengineering, Pittsburgh, Pennsylvania 15213; University of Calgary, Schulich School of Engineering, Department of Mechanical and Manufacturing Engineering, Calgary, Alberta T2N 1N4

    Shoulder arthroplasty success has been attributed to many factors including, bone quality, soft tissue balancing, surgeon experience, and implant design. Improved long-term success is primarily limited by glenoid implant loosening. Prosthesis design examines materials and shape and determines whether the design should withstand a lifetime of use. Finite element (FE) analyses have been extensively used to study stresses and strains produced in implants and bone. However, these static analyses only measure a moment in time and not the adaptive response to the altered environment produced by the therapeutic intervention. Computational analyses that integrate remodeling rules predict how bone will respondmore » over time. Recent work has shown that subject-specific two- and three dimensional adaptive bone remodeling models are feasible and valid. Feasibility and validation were achieved computationally, simulating bone remodeling using an intact human scapula, initially resetting the scapular bone material properties to be uniform, numerically simulating sequential loading, and comparing the bone remodeling simulation results to the actual scapula’s material properties. Three-dimensional scapula FE bone model was created using volumetric computed tomography images. Muscle and joint load and boundary conditions were applied based on values reported in the literature. Internal bone remodeling was based on element strain-energy density. Initially, all bone elements were assigned a homogeneous density. All loads were applied for 10 iterations. After every iteration, each bone element’s remodeling stimulus was compared to its corresponding reference stimulus and its material properties modified. The simulation achieved convergence. At the end of the simulation the predicted and actual specimen bone apparent density were plotted and compared. Location of high and low predicted bone density was comparable to the actual specimen. High predicted bone density was greater than actual specimen. Low predicted bone density was lower than actual specimen. Differences were probably due to applied muscle and joint reaction loads, boundary conditions, and values of constants used. Work is underway to study this. Nonetheless, the results demonstrate three dimensional bone remodeling simulation validity and potential. Such adaptive predictions take physiological bone remodeling simulations one step closer to reality. Computational analyses are needed that integrate biological remodeling rules and predict how bone will respond over time. We expect the combination of computational static stress analyses together with adaptive bone remodeling simulations to become effective tools for regenerative medicine research.« less

  16. Adaptive scapula bone remodeling computational simulation: Relevance to regenerative medicine

    NASA Astrophysics Data System (ADS)

    Sharma, Gulshan B.; Robertson, Douglas D.

    2013-07-01

    Shoulder arthroplasty success has been attributed to many factors including, bone quality, soft tissue balancing, surgeon experience, and implant design. Improved long-term success is primarily limited by glenoid implant loosening. Prosthesis design examines materials and shape and determines whether the design should withstand a lifetime of use. Finite element (FE) analyses have been extensively used to study stresses and strains produced in implants and bone. However, these static analyses only measure a moment in time and not the adaptive response to the altered environment produced by the therapeutic intervention. Computational analyses that integrate remodeling rules predict how bone will respond over time. Recent work has shown that subject-specific two- and three dimensional adaptive bone remodeling models are feasible and valid. Feasibility and validation were achieved computationally, simulating bone remodeling using an intact human scapula, initially resetting the scapular bone material properties to be uniform, numerically simulating sequential loading, and comparing the bone remodeling simulation results to the actual scapula's material properties. Three-dimensional scapula FE bone model was created using volumetric computed tomography images. Muscle and joint load and boundary conditions were applied based on values reported in the literature. Internal bone remodeling was based on element strain-energy density. Initially, all bone elements were assigned a homogeneous density. All loads were applied for 10 iterations. After every iteration, each bone element's remodeling stimulus was compared to its corresponding reference stimulus and its material properties modified. The simulation achieved convergence. At the end of the simulation the predicted and actual specimen bone apparent density were plotted and compared. Location of high and low predicted bone density was comparable to the actual specimen. High predicted bone density was greater than actual specimen. Low predicted bone density was lower than actual specimen. Differences were probably due to applied muscle and joint reaction loads, boundary conditions, and values of constants used. Work is underway to study this. Nonetheless, the results demonstrate three dimensional bone remodeling simulation validity and potential. Such adaptive predictions take physiological bone remodeling simulations one step closer to reality. Computational analyses are needed that integrate biological remodeling rules and predict how bone will respond over time. We expect the combination of computational static stress analyses together with adaptive bone remodeling simulations to become effective tools for regenerative medicine research.

  17. Design, Materials, and Mechanobiology of Biodegradable Scaffolds for Bone Tissue Engineering

    PubMed Central

    Velasco, Marco A.; Narváez-Tovar, Carlos A.; Garzón-Alvarado, Diego A.

    2015-01-01

    A review about design, manufacture, and mechanobiology of biodegradable scaffolds for bone tissue engineering is given. First, fundamental aspects about bone tissue engineering and considerations related to scaffold design are established. Second, issues related to scaffold biomaterials and manufacturing processes are discussed. Finally, mechanobiology of bone tissue and computational models developed for simulating how bone healing occurs inside a scaffold are described. PMID:25883972

  18. Practical 3D Printing of Antennas and RF Electronics

    DTIC Science & Technology

    2017-03-01

    Passive RF; Combiners Introduction Additive manufacturing can reduce the time and material costs in a design cycle and enable the on-demand printing of...performance, and create Computer Assisted Manufacturing (CAM) files. By intelligently leveraging this process, the design can be readily updated or...advances in 3D printing technology now enable antennas and RF electronics to be designed and prototyped significantly faster than conventional

  19. Effect of Endocrown Restorations with Different CAD/CAM Materials: 3D Finite Element and Weibull Analyses

    PubMed Central

    Ulusoy, Nuran

    2017-01-01

    The aim of this study was to evaluate the effects of two endocrown designs and computer aided design/manufacturing (CAD/CAM) materials on stress distribution and failure probability of restorations applied to severely damaged endodontically treated maxillary first premolar tooth (MFP). Two types of designs without and with 3 mm intraradicular extensions, endocrown (E) and modified endocrown (ME), were modeled on a 3D Finite element (FE) model of the MFP. Vitablocks Mark II (VMII), Vita Enamic (VE), and Lava Ultimate (LU) CAD/CAM materials were used for each type of design. von Mises and maximum principle values were evaluated and the Weibull function was incorporated with FE analysis to calculate the long term failure probability. Regarding the stresses that occurred in enamel, for each group of material, ME restoration design transmitted less stress than endocrown. During normal occlusal function, the overall failure probability was minimum for ME with VMII. ME restoration design with VE was the best restorative option for premolar teeth with extensive loss of coronal structure under high occlusal loads. Therefore, ME design could be a favorable treatment option for MFPs with missing palatal cusp. Among the CAD/CAM materials tested, VMII and VE were found to be more tooth-friendly than LU. PMID:29119108

  20. The LARSYS Educational Package: Instructor's Notes for Use with the Data 100

    NASA Technical Reports Server (NTRS)

    Lindenlaub, J. C.; Russell, J. D.

    1977-01-01

    The LARSYS Educational Package is a set of instructional materials developed to train people to analyze remotely sensed multispectral data using LARSYS, a computer software system. The materials included in this volume have been designed to assist LARSYS instructors as they guide students through the LARSYS Educational Package. All of the materials have been updated from the previous version to reflect the use of a Data 100 Remote Terminal.

  1. Aeroelastic Tailoring of Transport Aircraft Wings: State-of-the-Art and Potential Enabling Technologies

    NASA Technical Reports Server (NTRS)

    Jutte, Christine; Stanford, Bret K.

    2014-01-01

    This paper provides a brief overview of the state-of-the-art for aeroelastic tailoring of subsonic transport aircraft and offers additional resources on related research efforts. Emphasis is placed on aircraft having straight or aft swept wings. The literature covers computational synthesis tools developed for aeroelastic tailoring and numerous design studies focused on discovering new methods for passive aeroelastic control. Several new structural and material technologies are presented as potential enablers of aeroelastic tailoring, including selectively reinforced materials, functionally graded materials, fiber tow steered composite laminates, and various nonconventional structural designs. In addition, smart materials and structures whose properties or configurations change in response to external stimuli are presented as potential active approaches to aeroelastic tailoring.

  2. Predictive modelling-based design and experiments for synthesis and spinning of bioinspired silk fibres

    PubMed Central

    Gronau, Greta; Jacobsen, Matthew M.; Huang, Wenwen; Rizzo, Daniel J.; Li, David; Staii, Cristian; Pugno, Nicola M.; Wong, Joyce Y.; Kaplan, David L.; Buehler, Markus J.

    2016-01-01

    Scalable computational modelling tools are required to guide the rational design of complex hierarchical materials with predictable functions. Here, we utilize mesoscopic modelling, integrated with genetic block copolymer synthesis and bioinspired spinning process, to demonstrate de novo materials design that incorporates chemistry, processing and material characterization. We find that intermediate hydrophobic/hydrophilic block ratios observed in natural spider silks and longer chain lengths lead to outstanding silk fibre formation. This design by nature is based on the optimal combination of protein solubility, self-assembled aggregate size and polymer network topology. The original homogeneous network structure becomes heterogeneous after spinning, enhancing the anisotropic network connectivity along the shear flow direction. Extending beyond the classical polymer theory, with insights from the percolation network model, we illustrate the direct proportionality between network conductance and fibre Young's modulus. This integrated approach provides a general path towards de novo functional network materials with enhanced mechanical properties and beyond (optical, electrical or thermal) as we have experimentally verified. PMID:26017575

  3. Predictive modelling-based design and experiments for synthesis and spinning of bioinspired silk fibres.

    PubMed

    Lin, Shangchao; Ryu, Seunghwa; Tokareva, Olena; Gronau, Greta; Jacobsen, Matthew M; Huang, Wenwen; Rizzo, Daniel J; Li, David; Staii, Cristian; Pugno, Nicola M; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

    2015-05-28

    Scalable computational modelling tools are required to guide the rational design of complex hierarchical materials with predictable functions. Here, we utilize mesoscopic modelling, integrated with genetic block copolymer synthesis and bioinspired spinning process, to demonstrate de novo materials design that incorporates chemistry, processing and material characterization. We find that intermediate hydrophobic/hydrophilic block ratios observed in natural spider silks and longer chain lengths lead to outstanding silk fibre formation. This design by nature is based on the optimal combination of protein solubility, self-assembled aggregate size and polymer network topology. The original homogeneous network structure becomes heterogeneous after spinning, enhancing the anisotropic network connectivity along the shear flow direction. Extending beyond the classical polymer theory, with insights from the percolation network model, we illustrate the direct proportionality between network conductance and fibre Young's modulus. This integrated approach provides a general path towards de novo functional network materials with enhanced mechanical properties and beyond (optical, electrical or thermal) as we have experimentally verified.

  4. Design and Fabrication of Millimeter Wave Hexagonal Nano-Ferrite Circulator on Silicon CMOS Substrate

    NASA Astrophysics Data System (ADS)

    Oukacha, Hassan

    The rapid advancement of Complementary Metal Oxide Semiconductor (CMOS) technology has formed the backbone of the modern computing revolution enabling the development of computationally intensive electronic devices that are smaller, faster, less expensive, and consume less power. This well-established technology has transformed the mobile computing and communications industries by providing high levels of system integration on a single substrate, high reliability and low manufacturing cost. The driving force behind this computing revolution is the scaling of semiconductor devices to smaller geometries which has resulted in faster switching speeds and the promise of replacing traditional, bulky radio frequency (RF) components with miniaturized devices. Such devices play an important role in our society enabling ubiquitous computing and on-demand data access. This thesis presents the design and development of a magnetic circulator component in a standard 180 nm CMOS process. The design approach involves integration of nanoscale ferrite materials on a CMOS chip to avoid using bulky magnetic materials employed in conventional circulators. This device constitutes the next generation broadband millimeter-wave circulator integrated in CMOS using ferrite materials operating in the 60GHz frequency band. The unlicensed ultra-high frequency spectrum around 60GHz offers many benefits: very high immunity to interference, high security, and frequency re-use. Results of both simulations and measurements are presented in this thesis. The presented results show the benefits of this technique and the potential that it has in incorporating a complete system-on-chip (SoC) that includes low noise amplifier, power amplier, and antenna. This system-on-chip can be used in the same applications where the conventional circulator has been employed, including communication systems, radar systems, navigation and air traffic control, and military equipment. This set of applications of circulator shows how crucial this device is to many industries and the need for smaller, cost effective RF components.

  5. Design and Properties Prediction of AMCO3F by First-Principles Calculations.

    PubMed

    Tian, Meng; Gao, Yurui; Ouyang, Chuying; Wang, Zhaoxiang; Chen, Liquan

    2017-04-19

    Computer simulation accelerates the rate of identification and application of new materials. To search for new materials to meet the increasing demands of secondary batteries with higher energy density, the properties of some transition-metal fluorocarbonates ([CO 3 F] 3- ) were simulated in this work as cathode materials for Li- and Na-ion batteries based on first-principles calculations. These materials were designed by substituting the K + ions in KCuCO 3 F with Li + or Na + ions and the Cu 2+ ions with transition-metal ions such as Fe 2+ , Co 2+ , Ni 2+ , and Mn 2+ ions, respectively. The phase stability, electronic conductivity, ionic diffusion, and electrochemical potential of these materials were calculated by first-principles calculations. After taking comprehensive consideration of the kinetic and thermodynamic properties, LiCoCO 3 F and LiFeCO 3 F are believed to be promising novel cathode materials in all of the calculated AMCO 3 F (A = Li and Na; M = Fe, Mn, Co, and Ni). These results will help the design and discovery of new materials for secondary batteries.

  6. A cyber-linked undergraduate research experience in computational biomolecular structure prediction and design

    PubMed Central

    Alford, Rebecca F.; Dolan, Erin L.

    2017-01-01

    Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish their work, these teams must overcome both disciplinary and geographic barriers. Introducing new training paradigms is one way to facilitate research progress in computational biology. Here, we describe a new undergraduate program in biomolecular structure prediction and design in which students conduct research at labs located at geographically-distributed institutions while remaining connected through an online community. This 10-week summer program begins with one week of training on computational biology methods development, transitions to eight weeks of research, and culminates in one week at the Rosetta annual conference. To date, two cohorts of students have participated, tackling research topics including vaccine design, enzyme design, protein-based materials, glycoprotein modeling, crowd-sourced science, RNA processing, hydrogen bond networks, and amyloid formation. Students in the program report outcomes comparable to students who participate in similar in-person programs. These outcomes include the development of a sense of community and increases in their scientific self-efficacy, scientific identity, and science values, all predictors of continuing in a science research career. Furthermore, the program attracted students from diverse backgrounds, which demonstrates the potential of this approach to broaden the participation of young scientists from backgrounds traditionally underrepresented in computational biology. PMID:29216185

  7. A cyber-linked undergraduate research experience in computational biomolecular structure prediction and design.

    PubMed

    Alford, Rebecca F; Leaver-Fay, Andrew; Gonzales, Lynda; Dolan, Erin L; Gray, Jeffrey J

    2017-12-01

    Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish their work, these teams must overcome both disciplinary and geographic barriers. Introducing new training paradigms is one way to facilitate research progress in computational biology. Here, we describe a new undergraduate program in biomolecular structure prediction and design in which students conduct research at labs located at geographically-distributed institutions while remaining connected through an online community. This 10-week summer program begins with one week of training on computational biology methods development, transitions to eight weeks of research, and culminates in one week at the Rosetta annual conference. To date, two cohorts of students have participated, tackling research topics including vaccine design, enzyme design, protein-based materials, glycoprotein modeling, crowd-sourced science, RNA processing, hydrogen bond networks, and amyloid formation. Students in the program report outcomes comparable to students who participate in similar in-person programs. These outcomes include the development of a sense of community and increases in their scientific self-efficacy, scientific identity, and science values, all predictors of continuing in a science research career. Furthermore, the program attracted students from diverse backgrounds, which demonstrates the potential of this approach to broaden the participation of young scientists from backgrounds traditionally underrepresented in computational biology.

  8. Thermal and flow analysis of the Fluor Daniel, Inc., Nuclear Material Storage Facility renovation design (initial 30% effort of Title 1)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Steinke, R.G.; Mueller, C.; Knight, T.D.

    1998-03-01

    The computational fluid dynamics code CFX4.2 was used to evaluate steady-state thermal-hydraulic conditions in the Fluor Daniel, Inc., Nuclear Material Storage Facility renovation design (initial 30% of Title 1). Thirteen facility cases were evaluated with varying temperature dependence, drywell-array heat-source magnitude and distribution, location of the inlet tower, and no-flow curtains in the drywell-array vault. Four cases of a detailed model of the inlet-tower top fixture were evaluated to show the effect of the canopy-cruciform fixture design on the air pressure and flow distributions.

  9. Using computed tomography and 3D printing to construct custom prosthetics attachments and devices.

    PubMed

    Liacouras, Peter C; Sahajwalla, Divya; Beachler, Mark D; Sleeman, Todd; Ho, Vincent B; Lichtenberger, John P

    2017-01-01

    The prosthetic devices the military uses to restore function and mobility to our wounded warriors are highly advanced, and in many instances not publically available. There is considerable research aimed at this population of young patients who are extremely active and desire to take part in numerous complex activities. While prosthetists design and manufacture numerous devices with standard materials and limb assemblies, patients often require individualized prosthetic design and/or modifications to enable them to participate fully in complex activities. Prosthetists and engineers perform research and implement digitally designs in collaboration to generate equipment for their patient's rehabilitation needs. 3D printing allows for these devices to be manufactured from an array of materials ranging from plastic to titanium alloy. Many designs require form fitting to a prosthetic socket or a complex surface geometry. Specialty items can be scanned using computed tomography and digitally reconstructed to produce a virtual 3D model the engineer can use to design the necessary features of the desired prosthetic, device, or attachment. Completed devices are tested for fit and function. Numerous custom prostheses and attachments have been successfully translated from the research domain to clinical reality, in particular, those that feature the use of computed tomography (CT) reconstructions. The purpose of this project is to describe the research pathways to implementation for the following clinical designs: sets of bilateral hockey skates; custom weightlifting prosthetic hands; and a wine glass holder. This article will demonstrate how to incorporate CT imaging and 3D printing in the design and manufacturing process of custom attachments and assistive technology devices. Even though some of these prosthesis attachments may be relatively simple in design to an engineer, they have an enormous impact on the lives of our wounded warriors.

  10. Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles

    NASA Astrophysics Data System (ADS)

    Charles, Nenian

    Complex transition metal compounds (TMCs) research has produced functional materials with a range of properties, including ferroelectricity, colossal magnetoresistance, nonlinear optical activity and high-temperature superconductivity. Conventional routes to tune properties in transition metal oxides, for example, have relied primarily on cation chemical substitution and interfacial effects in thin film heterostructures. In heteroanionic TMCs, exhibiting two chemically distinct anions coordinating the same or different cations, engineering of the anion sub-lattice for property control is a promising alternative approach. The presence of multiple anions provides additional design variables, such as anion order, that are absent in homoanionic counterparts. The more complex structural and chemical phase space of heteroanionic materials provides a unique opportunity to realize enhanced or unanticipated electronic, optical, and magnetic responses. Although there is growing interest in heteroanionic materials, and synthetic and characterization advances are occurring for these materials, the crystal-chemistry principles for realizing structural and property control are only slowing emerging. This dissertation employs anion engineering to investigate phenomena in transition metal fluorides and oxyfluorides compounds using first principles density functional theory calculations. Oxyfluorides are particularly intriguing owing their tendency to stabilize highly ordered anion sublattices as well as the potential to combine the advantageous properties of transition metal oxides and fluorides. This work 1) addresses the challenges of studying fluorides and oxyfluorides using first principles calculations; 2) evaluates the feasibility of using external stimuli, such as epitaxial strain and hydrostatic pressure, to control properties of fluorides and oxyfluorides; and 3) formulates a computational workflow based on multiple levels of theory and computation to elucidate structure-property relationships and anion-order descriptors. The insights gained in this work advance the understanding of oxide-fluoride anion engineered materials and we anticipate that it will motivate novel experimental efforts and materials by design in the future.

  11. Cell Libraries

    NASA Technical Reports Server (NTRS)

    1994-01-01

    A NASA contract led to the development of faster and more energy efficient semiconductor materials for digital integrated circuits. Gallium arsenide (GaAs) conducts electrons 4-6 times faster than silicon and uses less power at frequencies above 100-150 megahertz. However, the material is expensive, brittle, fragile and has lacked computer automated engineering tools to solve this problem. Systems & Processes Engineering Corporation (SPEC) developed a series of GaAs cell libraries for cell layout, design rule checking, logic synthesis, placement and routing, simulation and chip assembly. The system is marketed by Compare Design Automation.

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

    NASA Astrophysics Data System (ADS)

    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.

  13. Design synthesis and optimization of permanent magnet synchronous machines based on computationally-efficient finite element analysis

    NASA Astrophysics Data System (ADS)

    Sizov, Gennadi Y.

    In this dissertation, a model-based multi-objective optimal design of permanent magnet ac machines, supplied by sine-wave current regulated drives, is developed and implemented. The design procedure uses an efficient electromagnetic finite element-based solver to accurately model nonlinear material properties and complex geometric shapes associated with magnetic circuit design. Application of an electromagnetic finite element-based solver allows for accurate computation of intricate performance parameters and characteristics. The first contribution of this dissertation is the development of a rapid computational method that allows accurate and efficient exploration of large multi-dimensional design spaces in search of optimum design(s). The computationally efficient finite element-based approach developed in this work provides a framework of tools that allow rapid analysis of synchronous electric machines operating under steady-state conditions. In the developed modeling approach, major steady-state performance parameters such as, winding flux linkages and voltages, average, cogging and ripple torques, stator core flux densities, core losses, efficiencies and saturated machine winding inductances, are calculated with minimum computational effort. In addition, the method includes means for rapid estimation of distributed stator forces and three-dimensional effects of stator and/or rotor skew on the performance of the machine. The second contribution of this dissertation is the development of the design synthesis and optimization method based on a differential evolution algorithm. The approach relies on the developed finite element-based modeling method for electromagnetic analysis and is able to tackle large-scale multi-objective design problems using modest computational resources. Overall, computational time savings of up to two orders of magnitude are achievable, when compared to current and prevalent state-of-the-art methods. These computational savings allow one to expand the optimization problem to achieve more complex and comprehensive design objectives. The method is used in the design process of several interior permanent magnet industrial motors. The presented case studies demonstrate that the developed finite element-based approach practically eliminates the need for using less accurate analytical and lumped parameter equivalent circuit models for electric machine design optimization. The design process and experimental validation of the case-study machines are detailed in the dissertation.

  14. Characterization, Modeling, and Failure Analysis of Composite Structure Materials under Static and Dynamic Loading

    NASA Astrophysics Data System (ADS)

    Werner, Brian Thomas

    Composite structures have long been used in many industries where it is advantageous to reduce weight while maintaining high stiffness and strength. Composites can now be found in an ever broadening range of applications: sporting equipment, automobiles, marine and aerospace structures, and energy production. These structures are typically sandwich panels composed of fiber reinforced polymer composite (FRPC) facesheets which provide the stiffness and the strength and a low density polymeric foam core that adds bending rigidity with little additional weight. The expanding use of composite structures exposes them to high energy, high velocity dynamic loadings which produce multi-axial dynamic states of stress. This circumstance can present quite a challenge to designers, as composite structures are highly anisotropic and display properties that are sensitive to loading rates. Computer codes are continually in development to assist designers in the creation of safe, efficient structures. While the design of an optimal composite structure is more complex, engineers can take advantage of the effect of enhanced energy dissipation displayed by a composite when loaded at high strain rates. In order to build and verify effective computer codes, the underlying assumptions must be verified by laboratory experiments. Many of these codes look to use a micromechanical approach to determine the response of the structure. For this, the material properties of the constituent materials must be verified, three-dimensional constitutive laws must be developed, and failure of these materials must be investigated under static and dynamic loading conditions. In this study, simple models are sought not only to ease their implementation into such codes, but to allow for efficient characterization of new materials that may be developed. Characterization of composite materials and sandwich structures is a costly, time intensive process. A constituent based design approach evaluates potential combinations of materials in a much faster and more efficient manner.

  15. Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations

    NASA Astrophysics Data System (ADS)

    Kim, Seokpum; Wei, Yaochi; Horie, Yasuyuki; Zhou, Min

    2018-05-01

    The design of new materials requires establishment of macroscopic measures of material performance as functions of microstructure. Traditionally, this process has been an empirical endeavor. An approach to computationally predict the probabilistic ignition thresholds of polymer-bonded explosives (PBXs) using mesoscale simulations is developed. The simulations explicitly account for microstructure, constituent properties, and interfacial responses and capture processes responsible for the development of hotspots and damage. The specific mechanisms tracked include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, and heat conduction. The probabilistic analysis uses sets of statistically similar microstructure samples to directly mimic relevant experiments for quantification of statistical variations of material behavior due to inherent material heterogeneities. The particular thresholds and ignition probabilities predicted are expressed in James type and Walker-Wasley type relations, leading to the establishment of explicit analytical expressions for the ignition probability as function of loading. Specifically, the ignition thresholds corresponding to any given level of ignition probability and ignition probability maps are predicted for PBX 9404 for the loading regime of Up = 200-1200 m/s where Up is the particle speed. The predicted results are in good agreement with available experimental measurements. A parametric study also shows that binder properties can significantly affect the macroscopic ignition behavior of PBXs. The capability to computationally predict the macroscopic engineering material response relations out of material microstructures and basic constituent and interfacial properties lends itself to the design of new materials as well as the analysis of existing materials.

  16. Finite element analysis as a design tool for thermoplastic vulcanizate glazing seals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gase, K.M.; Hudacek, L.L.; Pesevski, G.T.

    1998-12-31

    There are three materials that are commonly used in commercial glazing seals: EPDM, silicone and thermoplastic vulcanizates (TPVs). TPVs are a high performance class of thermoplastic elastomers (TPEs), where TPEs have elastomeric properties with thermoplastic processability. TPVs have emerged as materials well suited for use in glazing seals due to ease of processing, economics and part design flexibility. The part design and development process is critical to ensure that the chosen TPV provides economics, quality and function in demanding environments. In the design and development process, there is great value in utilizing dual durometer systems to capitalize on the benefitsmore » of soft and rigid materials. Computer-aided design tools, such as Finite Element Analysis (FEA), are effective in minimizing development time and predicting system performance. Examples of TPV glazing seals will illustrate the benefits of utilizing FEA to take full advantage of the material characteristics, which results in functional performance and quality while reducing development iterations. FEA will be performed on two glazing seal profiles to confirm optimum geometry.« less

  17. The influence of surface finishing methods on touch-sensitive reactions

    NASA Astrophysics Data System (ADS)

    Kukhta, M. S.; Sokolov, A. P.; Krauinsh, P. Y.; Kozlova, A. D.; Bouchard, C.

    2017-02-01

    This paper describes the modern technological development trends in jewelry design. In the jewelry industry, new trends, associated with the introduction of updated non-traditional materials and finishing techniques, are appearing. The existing information-oriented society enhances the visual aesthetics of new jewelry forms, decoration techniques (depth and surface), synthesis of different materials, which, all in all, reveal a bias towards positive effects of visual design. Today, the jewelry industry includes not only traditional techniques, but also such improved techniques as computer-assisted design, 3D-prototyping and other alternatives to produce an updated level of jewelry material processing. The authors present the specific features of ornamental pattern designing, decoration types (depth and surface) and comparative analysis of different approaches in surface finishing. Identifying the appearance or the effect of jewelry is based on proposed evaluation criteria, providing an advanced visual aesthetics basis is predicated on touch-sensitive responses.

  18. Unit with Fluidized Bed for Gas-Vapor Activation of Different Carbonaceous Materials for Various Purposes: Design, Computation, Implementation.

    PubMed

    Strativnov, Eugene

    2017-12-01

    We propose the technology of obtaining the promising material with wide specter of application-activated nanostructured carbon. In terms of technical indicators, it will stand next to the materials produced by complex regulations with the use of costly chemical operations. It can be used for the following needs: as a sorbent for hemosorption and enterosorption, for creation of the newest source of electric current (lithium and zinc air batteries, supercapacitors), and for processes of short-cycle adsorption gas separation.In this study, the author gives recommendations concerning the design of the apparatus with fluidized bed and examples of calculation of specific devices. The whole given information can be used as guidelines for the design of energy effective aggregates. Calculation and design of the reactor were carried out using modern software complexes (ANSYS and SolidWorks).

  19. Blended Interaction Design: A Spatial Workspace Supporting HCI and Design Practice

    NASA Astrophysics Data System (ADS)

    Geyer, Florian

    This research investigates novel methods and techniques along with tool support that result from a conceptual blend of human-computer interaction with design practice. Using blending theory with material anchors as a theoretical framework, we frame both input spaces and explore emerging structures within technical, cognitive, and social aspects. Based on our results, we will describe a framework of the emerging structures and will design and evaluate tool support within a spatial, studio-like workspace to support collaborative creativity in interaction design.

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

    NASA Astrophysics Data System (ADS)

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

    2017-10-01

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

  1. Highly Non-Linear Optical (NLO) organic crystals and films. Electrooptical organic materials

    NASA Technical Reports Server (NTRS)

    Mcmanus, Samuel P.; Rosenberger, Franz; Matthews, John

    1987-01-01

    Devices employing nonlinear optics (NLO) hold great promise for important applications in integrated optics, optical information processing and telecommunications. Properly designed organics possess outstanding optical and electrooptical properties which will substantially advance many technologies including electrooptical switching, optical amplification for communications, and parallel processing for hybrid optical computers. A brief comparison of organic and inorganic materials is given.

  2. Using Simulation Technology to Promote Social Competence of Handicapped Students. Final Report. Executive Summary.

    ERIC Educational Resources Information Center

    Appell, Louise S.; And Others

    The purpose of this project was to design and develop simulation materials utilizing vocational situations) in mildly/moderately handicapped young adults. The final product, a set of materials titled "Social Skills on the Job," includes a videotape of 15 lessons, a computer software package, and a teacher's guide, and was marketed to a commercial…

  3. Tortuosity Computations of Porous Materials using the Direct Simulation Monte Carlo

    NASA Technical Reports Server (NTRS)

    Borner, A.; Ferguson, C.; Panerai, F.; Mansour, Nagi N.

    2017-01-01

    Low-density carbon fiber preforms, used as thermal protection systems (TPS) materials for planetary entry systems, have permeable, highly porous microstructures consisting of interlaced fibers. Internal gas transport in TPS is important in modeling the penetration of hot boundary-layer gases and the in-depth transport of pyrolysis and ablation products. The gas effective diffusion coefficient of a porous material must be known before the gas transport can be modeled in material response solvers; however, there are very little available data for rigid fibrous insulators used in heritage TPS.The tortuosity factor, which reflects the efficiency of the percolation paths, can be computed from the effective diffusion coefficient of a gas inside a porous material and is based on the micro-structure of the material. It is well known, that the tortuosity factor is a strong function of the Knudsen number. Due to the small characteristic scales of porous media used in TPS applications (typical pore size of the order of 50 micron), the transport of gases can occur in the rarefied and transitional regimes, at Knudsen numbers above 1. A proper way to model the gas dynamics at these conditions consists in solving the Boltzmann equation using particle-based methods that account for movement and collisions of atoms and molecules.In this work we adopt, for the first time, the Direct Simulation Monte Carlo (DSMC) method to compute the tortuosity factor of fibrous media in the rarefied regime. To enable realistic simulations of the actual transport of gases in the porous medium, digitized computational grids are obtained from X-ray micro-tomography imaging of real TPS materials. The SPARTA DSMC solver is used for simulations. Effective diffusion coefficients and tortuosity factors are obtained by computing the mean-square displacement of diffusing particles.We first apply the method to compute the tortuosity factors as a function of the Knudsen number for computationally designed materials such as random cylindrical fibers and packed bed of spheres with prescribed porosity. Results are compared to literature values obtained using random walk methods in the rarefied and transitional regime and a finite-volume method for the continuum regime. We then compute tortuosity factors for a real carbon fiber material with a transverse isotropic structure (FiberForm), quantifying differences between through-thickness and in-plain tortuosities at various Knudsen regimes.

  4. Efficiency improvement of technological preparation of power equipment manufacturing

    NASA Astrophysics Data System (ADS)

    Milukov, I. A.; Rogalev, A. N.; Sokolov, V. P.; Shevchenko, I. V.

    2017-11-01

    Competitiveness of power equipment primarily depends on speeding-up the development and mastering of new equipment samples and technologies, enhancement of organisation and management of design, manufacturing and operation. Actual political, technological and economic conditions cause the acute need in changing the strategy and tactics of process planning. At that the issues of maintenance of equipment with simultaneous improvement of its efficiency and compatibility to domestically produced components are considering. In order to solve these problems, using the systems of computer-aided process planning for process design at all stages of power equipment life cycle is economically viable. Computer-aided process planning is developed for the purpose of improvement of process planning by using mathematical methods and optimisation of design and management processes on the basis of CALS technologies, which allows for simultaneous process design, process planning organisation and management based on mathematical and physical modelling of interrelated design objects and production system. An integration of computer-aided systems providing the interaction of informative and material processes at all stages of product life cycle is proposed as effective solution to the challenges in new equipment design and process planning.

  5. Tokamak experimental power reactor conceptual design. Volume II

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1976-08-01

    Volume II contains the following appendices: (1) summary of EPR design parameters, (2) impurity control, (3) plasma computational models, (4) structural support system, (5) materials considerations for the primary energy conversion system, (6) magnetics, (7) neutronics penetration analysis, (8) first wall stress analysis, (9) enrichment of isotopes of hydrogen by cryogenic distillation, and (10) noncircular plasma considerations. (MOW)

  6. Design Features of a Friendly Software Environment for Novice Programmers. Technical Report No. 3.

    ERIC Educational Resources Information Center

    Eisenstadt, Marc

    This paper describes the results of a 6-year period of design, implementation, testing, and iterative redesign of a programming language, user aids, and curriculum materials for use by psychology students learning how to write simple computer programs. The SOLO language, which was the resulting product, is primarily a simple, database…

  7. A computer program incorporating fatigue and fracture criteria in the preliminary design of transport aircraft: An evaluation

    NASA Technical Reports Server (NTRS)

    Berger, P. E.; Thornton, E. A.

    1976-01-01

    The APAS program a multistation structural synthesis procedure developed to evaluate material, geometry, and configuration with various design criteria usually considered for the primary structure of transport aircraft is described and evaluated. Recommendations to improve accuracy and extend the capabilities of the APAS program are given. Flow diagrams are included.

  8. Composite structural materials

    NASA Technical Reports Server (NTRS)

    Ansell, G. S.; Loewy, R. G.; Wiberley, S. E.

    1981-01-01

    The composite aircraft program component (CAPCOMP) is a graduate level project conducted in parallel with a composite structures program. The composite aircraft program glider (CAPGLIDE) is an undergraduate demonstration project which has as its objectives the design, fabrication, and testing of a foot launched ultralight glider using composite structures. The objective of the computer aided design (COMPAD) portion of the composites project is to provide computer tools for the analysis and design of composite structures. The major thrust of COMPAD is in the finite element area with effort directed at implementing finite element analysis capabilities and developing interactive graphics preprocessing and postprocessing capabilities. The criteria for selecting research projects to be conducted under the innovative and supporting research (INSURE) program are described.

  9. Computational Modeling and High Performance Computing in Advanced Materials Processing, Synthesis, and Design

    DTIC Science & Technology

    2014-12-07

    parameters of resin viscosity and preform permeability prior to resin gelation. However, there could be significant variations in these two parameters...during actual manufacturing due to differences in the resin batches, mixes, temperature, ambient conditions for viscosity ; in the preform rolls...optimal injection time and locations for given process parameters of resin viscosity and preform permeability prior to resin gelation. However, there

  10. Guidelines for Processing and Cataloging Computer Software for Schools and Area Education Agencies. Suggestions to Aid Schools and AEAs.

    ERIC Educational Resources Information Center

    Martin, Elizabeth; And Others

    Based on definitions of a machine-readable data file (MRDF) taken from the Anglo-American Cataloging Rules, second edition (AACR2) and Standards for Cataloging Nonprint Materials, the following recommendations for processing items of computer software are provided: (1) base main and added entry determination on AACR2; (2) place designation of form…

  11. Development of New Sensing Materials Using Combinatorial and High-Throughput Experimentation

    NASA Astrophysics Data System (ADS)

    Potyrailo, Radislav A.; Mirsky, Vladimir M.

    New sensors with improved performance characteristics are needed for applications as diverse as bedside continuous monitoring, tracking of environmental pollutants, monitoring of food and water quality, monitoring of chemical processes, and safety in industrial, consumer, and automotive settings. Typical requirements in sensor improvement are selectivity, long-term stability, sensitivity, response time, reversibility, and reproducibility. Design of new sensing materials is the important cornerstone in the effort to develop new sensors. Often, sensing materials are too complex to predict their performance quantitatively in the design stage. Thus, combinatorial and high-throughput experimentation methodologies provide an opportunity to generate new required data to discover new sensing materials and/or to optimize existing material compositions. The goal of this chapter is to provide an overview of the key concepts of experimental development of sensing materials using combinatorial and high-throughput experimentation tools, and to promote additional fruitful interactions between computational scientists and experimentalists.

  12. Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond

    DOE PAGES

    Mannodi-Kanakkithodi, Arun; Chandrasekaran, Anand; Kim, Chiho; ...

    2017-12-19

    The Materials Genome Initiative (MGI) has heralded a sea change in the philosophy of materials design. In an increasing number of applications, the successful deployment of novel materials has benefited from the use of computational methodologies, data descriptors, and machine learning. Polymers have long suffered from a lack of data on electronic, mechanical, and dielectric properties across large chemical spaces, causing a stagnation in the set of suitable candidates for various applications. Extensive efforts over the last few years have seen the fruitful application of MGI principles toward the accelerated discovery of attractive polymer dielectrics for capacitive energy storage. Here,more » we review these efforts, highlighting the importance of computational data generation and screening, targeted synthesis and characterization, polymer fingerprinting and machine-learning prediction models, and the creation of an online knowledgebase to guide ongoing and future polymer discovery and design. We lay special emphasis on the fingerprinting of polymers in terms of their genome or constituent atomic and molecular fragments, an idea that pays homage to the pioneers of the human genome project who identified the basic building blocks of the human DNA. As a result, by scoping the polymer genome, we present an essential roadmap for the design of polymer dielectrics, and provide future perspectives and directions for expansions to other polymer subclasses and properties.« less

  13. Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mannodi-Kanakkithodi, Arun; Chandrasekaran, Anand; Kim, Chiho

    The Materials Genome Initiative (MGI) has heralded a sea change in the philosophy of materials design. In an increasing number of applications, the successful deployment of novel materials has benefited from the use of computational methodologies, data descriptors, and machine learning. Polymers have long suffered from a lack of data on electronic, mechanical, and dielectric properties across large chemical spaces, causing a stagnation in the set of suitable candidates for various applications. Extensive efforts over the last few years have seen the fruitful application of MGI principles toward the accelerated discovery of attractive polymer dielectrics for capacitive energy storage. Here,more » we review these efforts, highlighting the importance of computational data generation and screening, targeted synthesis and characterization, polymer fingerprinting and machine-learning prediction models, and the creation of an online knowledgebase to guide ongoing and future polymer discovery and design. We lay special emphasis on the fingerprinting of polymers in terms of their genome or constituent atomic and molecular fragments, an idea that pays homage to the pioneers of the human genome project who identified the basic building blocks of the human DNA. As a result, by scoping the polymer genome, we present an essential roadmap for the design of polymer dielectrics, and provide future perspectives and directions for expansions to other polymer subclasses and properties.« less

  14. Design for a Crane Metallic Structure Based on Imperialist Competitive Algorithm and Inverse Reliability Strategy

    NASA Astrophysics Data System (ADS)

    Fan, Xiao-Ning; Zhi, Bo

    2017-07-01

    Uncertainties in parameters such as materials, loading, and geometry are inevitable in designing metallic structures for cranes. When considering these uncertainty factors, reliability-based design optimization (RBDO) offers a more reasonable design approach. However, existing RBDO methods for crane metallic structures are prone to low convergence speed and high computational cost. A unilevel RBDO method, combining a discrete imperialist competitive algorithm with an inverse reliability strategy based on the performance measure approach, is developed. Application of the imperialist competitive algorithm at the optimization level significantly improves the convergence speed of this RBDO method. At the reliability analysis level, the inverse reliability strategy is used to determine the feasibility of each probabilistic constraint at each design point by calculating its α-percentile performance, thereby avoiding convergence failure, calculation error, and disproportionate computational effort encountered using conventional moment and simulation methods. Application of the RBDO method to an actual crane structure shows that the developed RBDO realizes a design with the best tradeoff between economy and safety together with about one-third of the convergence speed and the computational cost of the existing method. This paper provides a scientific and effective design approach for the design of metallic structures of cranes.

  15. Computational Prediction of Shock Ignition Thresholds and Ignition Probability of Polymer-Bonded Explosives

    NASA Astrophysics Data System (ADS)

    Wei, Yaochi; Kim, Seokpum; Horie, Yasuyuki; Zhou, Min

    2017-06-01

    A computational approach is developed to predict the probabilistic ignition thresholds of polymer-bonded explosives (PBXs). The simulations explicitly account for microstructure, constituent properties, and interfacial responses and capture processes responsible for the development of hotspots and damage. The specific damage mechanisms considered include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, and heat conduction. The probabilistic analysis uses sets of statistically similar microstructure samples to mimic relevant experiments for statistical variations of material behavior due to inherent material heterogeneities. The ignition thresholds and corresponding ignition probability maps are predicted for PBX 9404 and PBX 9501 for the impact loading regime of Up = 200 --1200 m/s. James and Walker-Wasley relations are utilized to establish explicit analytical expressions for the ignition probability as a function of load intensities. The predicted results are in good agreement with available experimental measurements. The capability to computationally predict the macroscopic response out of material microstructures and basic constituent properties lends itself to the design of new materials and the analysis of existing materials. The authors gratefully acknowledge the support from Air Force Office of Scientific Research (AFOSR) and the Defense Threat Reduction Agency (DTRA).

  16. Aeroheating Design Issues for Reusable Launch Vehicles: A Perspective

    NASA Technical Reports Server (NTRS)

    Zoby, E. Vincent; Thompson, Richard A.; Wurster, Kathryn E.

    2004-01-01

    An overview of basic aeroheating design issues for Reusable Launch Vehicles (RLV), which addresses the application of hypersonic ground-based testing, and computational fluid dynamic (CFD) and engineering codes, is presented. Challenges inherent to the prediction of aeroheating environments required for the successful design of the RLV Thermal Protection System (TPS) are discussed in conjunction with the importance of employing appropriate experimental/computational tools. The impact of the information garnered by using these tools in the resulting analyses, ultimately enhancing the RLV TPS design is illustrated. A wide range of topics is presented in this overview; e.g. the impact of flow physics issues such as boundary-layer transition, including effects of distributed and discrete roughness, shock-shock interactions, and flow separation/reattachment. Also, the benefit of integrating experimental and computational studies to gain an improved understanding of flow phenomena is illustrated. From computational studies, the effect of low-density conditions and of uncertainties in material surface properties on the computed heating rates a r e highlighted as well as the significant role of CFD in improving the Outer Mold Line (OML) definition to reduce aeroheating while maintaining aerodynamic performance. Appropriate selection of the TPS design trajectories and trajectory shaping to mitigate aeroheating levels and loads are discussed. Lastly, an illustration of an aeroheating design process is presented whereby data from hypersonic wind-tunnel tests are integrated with predictions from CFD codes and engineering methods to provide heating environments along an entry trajectory as required for TPS design.

  17. Aeroheating Design Issues for Reusable Launch Vehicles: A Perspective

    NASA Technical Reports Server (NTRS)

    Zoby, E. Vincent; Thompson, Richard A.; Wurster, Kathryn E.

    2004-01-01

    An overview of basic aeroheating design issues for Reusable Launch Vehicles (RLV), which addresses the application of hypersonic ground-based testing, and computational fluid dynamic (CFD) and engineering codes, is presented. Challenges inherent to the prediction of aeroheating environments required for the successful design of the RLV Thermal Protection System (TPS) are discussed in conjunction with the importance of employing appropriate experimental/computational tools. The impact of the information garnered by using these tools in the resulting analyses, ultimately enhancing the RLV TPS design is illustrated. A wide range of topics is presented in this overview; e.g. the impact of flow physics issues such as boundary-layer transition, including effects of distributed and discrete roughness, shockshock interactions, and flow separation/reattachment. Also, the benefit of integrating experimental and computational studies to gain an improved understanding of flow phenomena is illustrated. From computational studies, the effect of low-density conditions and of uncertainties in material surface properties on the computed heating rates are highlighted as well as the significant role of CFD in improving the Outer Mold Line (OML) definition to reduce aeroheating while maintaining aerodynamic performance. Appropriate selection of the TPS design trajectories and trajectory shaping to mitigate aeroheating levels and loads are discussed. Lastly, an illustration of an aeroheating design process is presented whereby data from hypersonic wind-tunnel tests are integrated with predictions from CFD codes and engineering methods to provide heating environments along an entry trajectory as required for TPS design.

  18. Structural reliability analysis of laminated CMC components

    NASA Technical Reports Server (NTRS)

    Duffy, Stephen F.; Palko, Joseph L.; Gyekenyesi, John P.

    1991-01-01

    For laminated ceramic matrix composite (CMC) materials to realize their full potential in aerospace applications, design methods and protocols are a necessity. The time independent failure response of these materials is focussed on and a reliability analysis is presented associated with the initiation of matrix cracking. A public domain computer algorithm is highlighted that was coupled with the laminate analysis of a finite element code and which serves as a design aid to analyze structural components made from laminated CMC materials. Issues relevant to the effect of the size of the component are discussed, and a parameter estimation procedure is presented. The estimation procedure allows three parameters to be calculated from a failure population that has an underlying Weibull distribution.

  19. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, C.; Yu, G.; Wang, K.

    The physical designs of the new concept reactors which have complex structure, various materials and neutronic energy spectrum, have greatly improved the requirements to the calculation methods and the corresponding computing hardware. Along with the widely used parallel algorithm, heterogeneous platforms architecture has been introduced into numerical computations in reactor physics. Because of the natural parallel characteristics, the CPU-FPGA architecture is often used to accelerate numerical computation. This paper studies the application and features of this kind of heterogeneous platforms used in numerical calculation of reactor physics through practical examples. After the designed neutron diffusion module based on CPU-FPGA architecturemore » achieves a 11.2 speed up factor, it is proved to be feasible to apply this kind of heterogeneous platform into reactor physics. (authors)« less

  20. Rapid communication: Computational simulation and analysis of a candidate for the design of a novel silk-based biopolymer.

    PubMed

    Golas, Ewa I; Czaplewski, Cezary

    2014-09-01

    This work theoretically investigates the mechanical properties of a novel silk-derived biopolymer as polymerized in silico from sericin and elastin-like monomers. Molecular Dynamics simulations and Steered Molecular Dynamics were the principal computational methods used, the latter of which applies an external force onto the system and thereby enables an observation of its response to stress. The models explored herein are single-molecule approximations, and primarily serve as tools in a rational design process for the preliminary assessment of properties in a new material candidate. © 2014 Wiley Periodicals, Inc.

  1. SiP monolayers: New 2D structures of group IV-V compounds for visible-light photohydrolytic catalysts

    NASA Astrophysics Data System (ADS)

    Ma, Zhinan; Zhuang, Jibin; Zhang, Xu; Zhou, Zhen

    2018-06-01

    Because of graphene and phosphorene, two-dimensional (2D) layered materials of group IV and group V elements arouse great interest. However, group IV-V monolayers have not received due attention. In this work, three types of SiP monolayers were computationally designed to explore their electronic structure and optical properties. Computations confirm the stability of these monolayers, which are all indirect-bandgap semiconductors with bandgaps in the range 1.38-2.21 eV. The bandgaps straddle the redox potentials of water at pH = 0, indicating the potential of the monolayers for use as watersplitting photocatalysts. The computed optical properties demonstrate that certain monolayers of SiP 2D materials are absorbers of visible light and would serve as good candidates for optoelectronic devices.

  2. Structural design and stress analysis program for advanced composite filament-wound axisymmetric pressure vessels (COMTANK)

    NASA Technical Reports Server (NTRS)

    Knoell, A. C.

    1972-01-01

    Computer program has been specifically developed to handle, in an efficient and cost effective manner, planar wound pressure vessels fabricated of either boron-epoxy or graphite-epoxy advanced composite materials.

  3. Full space device optimization for solar cells.

    PubMed

    Baloch, Ahmer A B; Aly, Shahzada P; Hossain, Mohammad I; El-Mellouhi, Fedwa; Tabet, Nouar; Alharbi, Fahhad H

    2017-09-20

    Advances in computational materials have paved a way to design efficient solar cells by identifying the optimal properties of the device layers. Conventionally, the device optimization has been governed by single or double descriptors for an individual layer; mostly the absorbing layer. However, the performance of the device depends collectively on all the properties of the material and the geometry of each layer in the cell. To address this issue of multi-property optimization and to avoid the paradigm of reoccurring materials in the solar cell field, a full space material-independent optimization approach is developed and presented in this paper. The method is employed to obtain an optimized material data set for maximum efficiency and for targeted functionality for each layer. To ensure the robustness of the method, two cases are studied; namely perovskite solar cells device optimization and cadmium-free CIGS solar cell. The implementation determines the desirable optoelectronic properties of transport mediums and contacts that can maximize the efficiency for both cases. The resulted data sets of material properties can be matched with those in materials databases or by further microscopic material design. Moreover, the presented multi-property optimization framework can be extended to design any solid-state device.

  4. Hypervelocity impact and dynamic fragmentation of brittle materials

    NASA Astrophysics Data System (ADS)

    Agrawal, Vinamra; Ortega, Alejandro; Meiron, Daniel

    2017-06-01

    The process of hypervelocity impact and dynamic fragmentation finds application in planetary formation, satellite design for micrometeorite impact damage mitigation, armor design and crater formations. In this work, we study high velocity impact induced dynamic fragmentation processes of brittle materials. We implement ideas of Continuum Damage Mechanics (CDM) to perform fragmentation simulations on brittle materials in various geometries. The damage formulation was implemented on an existing computational framework capable of adaptive mesh refinement that operates on an Eulerian grid, thereby avoiding problems associated with grid entanglement in large deformation processes. A damage sensitive equation of state is developed for hyperelastic materials that depends on a damage variable D, the volume fraction of micro-cracks in the brittle material. The evolution of D is governed by a modified, thermodynamically consistent Grady-Kipp model that evolves damage at points of tensile eigenvalue stresses. We simulate sphere-on-sphere and sphere-on-plate impact events with ductile and brittle materials and study the resulting damage propagation. We validate our calculations with existing literature and comment on energy dissipation and optimal design. Caltech - JPL President's and Director's Fund.

  5. Advanced composite aileron for L-1011 transport aircraft: Design and analysis

    NASA Technical Reports Server (NTRS)

    Griffin, C. F.; Fogg, L. D.; Dunning, E. G.

    1981-01-01

    Detail design of the composite aileron has been completed. The aileron design is a multi-rib configuration with single piece upper and lower covers mechanically fastened to the substructure. Covers, front, spar and ribs are fabricated with graphite/epoxy tape or fabric composite material. The design has a weight savings of 23 percent compared to the aluminum aileron. The composite aileron has 50 percent fewer fasteners and parts than the metal aileron and is predicted to be cost competitive. Structural integrity of the composite aileron was verified by structural analysis and an extensive test program. Static, failsafe, and vibration analyses have been conducted on the composite aileron using finite element models and specialized computer programs for composite material laminates. The fundamental behavior of the composite materials used in the aileron was determined by coupon tests for a variety of environmental conditions. Critical details of the design were interrogated by static and fatigue tests on full-scale subcomponents and subassemblies of the aileron.

  6. Fabricating biomedical origami: a state-of-the-art review

    PubMed Central

    Johnson, Meredith; Chen, Yue; Hovet, Sierra; Xu, Sheng; Wood, Bradford; Ren, Hongliang; Tokuda, Junichi; Tse, Zion Tsz Ho

    2018-01-01

    Purpose Origami-based biomedical device design is an emerging technology due to its ability to be deployed from a minimal foldable pattern to a larger volume. This paper aims to review state-of-the-art origami structures applied in the medical device field. Methods Publications and reports of origami structure related to medical device design from the past 10 years are reviewed and categorized according to engineering specifications, including the application field, fabrication material, size/volume, deployment method, manufacturability, and advantages. Results This paper presents an overview of the biomedical applications of devices based on origami structures, including disposable sterilization covers, cardiac catheterization, stent grafts, encapsulation and microsurgery, gastrointestinal microsurgery, laparoscopic surgical grippers, microgrippers, microfluidic devices, and drug delivery. Challenges in terms of materials and fabrication, assembly, modeling and computation design, and clinical adoptability are discussed at the end of this paper to provide guidance for future origami-based design in the medical device field. Conclusion Concepts from origami can be used to design and develop novel medical devices. Origami-based medical device design is currently progressing, with researchers improving design methods, materials, fabrication techniques, and folding efficiency. PMID:28260164

  7. Porous materials with pre-designed single-molecule traps for CO2 selective adsorption

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, JR; Yu, JM; Lu, WG

    2013-02-26

    Despite tremendous efforts, precise control in the synthesis of porous materials with pre-designed pore properties for desired applications remains challenging. Newly emerged porous metal-organic materials, such as metal-organic polyhedra and metal-organic frameworks, are amenable to design and property tuning, enabling precise control of functionality by accurate design of structures at the molecular level. Here we propose and validate, both experimentally and computationally, a precisely designed cavity, termed a 'single-molecule trap', with the desired size and properties suitable for trapping target CO2 molecules. Such a single-molecule trap can strengthen CO2-host interactions without evoking chemical bonding, thus showing potential for CO2 capture.more » Molecular single-molecule traps in the form of metal-organic polyhedra are designed, synthesised and tested for selective adsorption of CO2 over N-2 and CH4, demonstrating the trapping effect. Building these pre-designed single-molecule traps into extended frameworks yields metal-organic frameworks with efficient mass transfer, whereas the CO2 selective adsorption nature of single-molecule traps is preserved.« less

  8. Fabricating biomedical origami: a state-of-the-art review.

    PubMed

    Johnson, Meredith; Chen, Yue; Hovet, Sierra; Xu, Sheng; Wood, Bradford; Ren, Hongliang; Tokuda, Junichi; Tse, Zion Tsz Ho

    2017-11-01

    Origami-based biomedical device design is an emerging technology due to its ability to be deployed from a minimal foldable pattern to a larger volume. This paper aims to review state-of-the-art origami structures applied in the medical device field. Publications and reports of origami structure related to medical device design from the past 10 years are reviewed and categorized according to engineering specifications, including the application field, fabrication material, size/volume, deployment method, manufacturability, and advantages. This paper presents an overview of the biomedical applications of devices based on origami structures, including disposable sterilization covers, cardiac catheterization, stent grafts, encapsulation and microsurgery, gastrointestinal microsurgery, laparoscopic surgical grippers, microgrippers, microfluidic devices, and drug delivery. Challenges in terms of materials and fabrication, assembly, modeling and computation design, and clinical adoptability are discussed at the end of this paper to provide guidance for future origami-based design in the medical device field. Concepts from origami can be used to design and develop novel medical devices. Origami-based medical device design is currently progressing, with researchers improving design methods, materials, fabrication techniques, and folding efficiency.

  9. Theoretical Investigations of Well-Defined Graphene Nanostructures: Catalysis, Spectroscopy, and Development of Novel Fragment-Based Models

    NASA Astrophysics Data System (ADS)

    Noffke, Benjamin W.

    Carbon materials have the potential to replace some precious metals in renewable energy applications. These materials are particularly attractive because of the elemental abundance and relatively low nuclear mass of carbon, implying economically feasible and lightweight materials. Targeted design of carbon materials is hindered by the lack of fundamental understanding that is required to tailor their properties for the desired application. However, most available synthetic methods to create carbon materials involve harsh conditions that limit the control of the resulting structure. Without a well-defined structure, the system is too complex and fundamental studies cannot be definitive. This work seeks to gain fundamental understanding through the development and application of efficient computational models for these systems, in conjunction with experiments performed on soluble, well-defined graphene nanostructures prepared by our group using a bottom-up synthetic approach. Theory is used to determine mechanistic details for well-defined carbon systems in applications of catalysis and electrochemical transformations. The resulting computational models do well to explain previous observations of carbon materials and provide suggestions for future directions. However, as the system size of the nanostructures gets larger, the computational cost can become prohibitive. To reduce the computational scaling of quantum chemical calculations, a new fragmentation scheme has been developed that addresses the challenges of fragmenting conjugated molecules. By selecting fragments that retain important structural characteristics in graphene, a more efficient method is achieved. The new method paves the way for an automated, systematic fragmentation scheme of graphene molecules.

  10. Computer-aided analysis and design of the shape rolling process for producing turbine engine airfoils

    NASA Technical Reports Server (NTRS)

    Lahoti, G. D.; Akgerman, N.; Altan, T.

    1978-01-01

    Mild steel (AISI 1018) was selected as model cold rolling material and Ti-6A1-4V and Inconel 718 were selected as typical hot rolling and cold rolling alloys, respectively. The flow stress and workability of these alloys were characterized and friction factor at the roll/workpiece interface was determined at their respective working conditions by conducting ring tests. Computer-aided mathematical models for predicting metal flow and stresses, and for simulating the shape rolling process were developed. These models utilized the upper bound and the slab methods of analysis, and were capable of predicting the lateral spread, roll separating force, roll torque, and local stresses, strains and strain rates. This computer-aided design system was also capable of simulating the actual rolling process, and thereby designing the roll pass schedule in rolling of an airfoil or a similar shape.

  11. Computers and the design of ion beam optical systems

    NASA Astrophysics Data System (ADS)

    White, Nicholas R.

    Advances in microcomputers have made it possible to maintain a library of advanced ion optical programs which can be used on inexpensive computer hardware, which are suitable for the design of a variety of ion beam systems including ion implanters, giving excellent results. This paper describes in outline the steps typically involved in designing a complete ion beam system for materials modification applications. Two computer programs are described which, although based largely on algorithms which have been in use for many years, make possible detailed beam optical calculations using microcomputers, specifically the IBM PC. OPTICIAN is an interactive first-order program for tracing beam envelopes through complex optical systems. SORCERY is a versatile program for solving Laplace's and Poisson's equations by finite difference methods using successive over-relaxation. Ion and electron trajectories can be traced through these potential fields, and plots of beam emittance obtained.

  12. Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches.

    PubMed

    Bal, Kristof M; Neyts, Erik C

    2018-03-28

    A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.

  13. Flight-vehicle materials, structures, and dynamics - Assessment and future directions. Vol. 5 - Structural dynamics and aeroelasticity

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Editor); Venneri, Samuel L. (Editor)

    1993-01-01

    Various papers on flight vehicle materials, structures, and dynamics are presented. Individual topics addressed include: general modeling methods, component modeling techniques, time-domain computational techniques, dynamics of articulated structures, structural dynamics in rotating systems, structural dynamics in rotorcraft, damping in structures, structural acoustics, structural design for control, structural modeling for control, control strategies for structures, system identification, overall assessment of needs and benefits in structural dynamics and controlled structures. Also discussed are: experimental aeroelasticity in wind tunnels, aeroservoelasticity, nonlinear aeroelasticity, aeroelasticity problems in turbomachines, rotary-wing aeroelasticity with application to VTOL vehicles, computational aeroelasticity, structural dynamic testing and instrumentation.

  14. Laser production of articles from powders

    DOEpatents

    Lewis, Gary K.; Milewski, John O.; Cremers, David A.; Nemec, Ronald B.; Barbe, Michael R.

    1998-01-01

    Method and apparatus for forming articles from materials in particulate form in which the materials are melted by a laser beam and deposited at points along a tool path to form an article of the desired shape and dimensions. Preferably the tool path and other parameters of the deposition process are established using computer-aided design and manufacturing techniques. A controller comprised of a digital computer directs movement of a deposition zone along the tool path and provides control signals to adjust apparatus functions, such as the speed at which a deposition head which delivers the laser beam and powder to the deposition zone moves along the tool path.

  15. Laser production of articles from powders

    DOEpatents

    Lewis, G.K.; Milewski, J.O.; Cremers, D.A.; Nemec, R.B.; Barbe, M.R.

    1998-11-17

    Method and apparatus for forming articles from materials in particulate form in which the materials are melted by a laser beam and deposited at points along a tool path to form an article of the desired shape and dimensions. Preferably the tool path and other parameters of the deposition process are established using computer-aided design and manufacturing techniques. A controller comprised of a digital computer directs movement of a deposition zone along the tool path and provides control signals to adjust apparatus functions, such as the speed at which a deposition head which delivers the laser beam and powder to the deposition zone moves along the tool path. 20 figs.

  16. Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics.

    PubMed

    Heitzer, Henry M; Marks, Tobin J; Ratner, Mark A

    2016-09-20

    The dielectric response of a material is central to numerous processes spanning the fields of chemistry, materials science, biology, and physics. Despite this broad importance across these disciplines, describing the dielectric environment of a molecular system at the level of first-principles theory and computation remains a great challenge and is of importance to understand the behavior of existing systems as well as to guide the design and synthetic realization of new ones. Furthermore, with recent advances in molecular electronics, nanotechnology, and molecular biology, it has become necessary to predict the dielectric properties of molecular systems that are often difficult or impossible to measure experimentally. In these scenarios, it is would be highly desirable to be able to determine dielectric response through efficient, accurate, and chemically informative calculations. A good example of where theoretical modeling of dielectric response would be valuable is in the development of high-capacitance organic gate dielectrics for unconventional electronics such as those that could be fabricated by high-throughput printing techniques. Gate dielectrics are fundamental components of all transistor-based logic circuitry, and the combination high dielectric constant and nanoscopic thickness (i.e., high capacitance) is essential to achieving high switching speeds and low power consumption. Molecule-based dielectrics offer the promise of cheap, flexible, and mass producible electronics when used in conjunction with unconventional organic or inorganic semiconducting materials to fabricate organic field effect transistors (OFETs). The molecular dielectrics developed to date typically have limited dielectric response, which results in low capacitances, translating into poor performance of the resulting OFETs. Furthermore, the development of better performing dielectric materials has been hindered by the current highly empirical and labor-intensive pace of synthetic progress. An accurate and efficient theoretical computational approach could drastically decrease this time by screening potential dielectric materials and providing reliable design rules for future molecular dielectrics. Until recently, accurate calculation of dielectric responses in molecular materials was difficult and highly approximate. Most previous modeling efforts relied on classical formalisms to relate molecular polarizability to macroscopic dielectric properties. These efforts often vastly overestimated polarizability in the subject materials and ignored crucial material properties that can affect dielectric response. Recent advances in first-principles calculations via density functional theory (DFT) with periodic boundary conditions have allowed accurate computation of dielectric properties in molecular materials. In this Account, we outline the methodology used to calculate dielectric properties of molecular materials. We demonstrate the validity of this approach on model systems, capturing the frequency dependence of the dielectric response and achieving quantitative accuracy compared with experiment. This method is then used as a guide to new high-capacitance molecular dielectrics by determining what materials and chemical properties are important in maximizing dielectric response in self-assembled monolayers (SAMs). It will be seen that this technique is a powerful tool for understanding and designing new molecular dielectric systems, the properties of which are fundamental to many scientific areas.

  17. Design protocols and analytical strategies that incorporate structural reliability models

    NASA Technical Reports Server (NTRS)

    Duffy, Stephen F.

    1995-01-01

    In spite of great improvements in accuracy through the use of computers, design methods, which can be equally critical in establishing the commercial success of a material, have been treated as afterthoughts. Early investment in design and development technologies can easily reduce manufacturing costs later in the product cycle. To avoid lengthy product development times for ceramic composites, funding agencies for materials research must commit resources to support design and development technologies early in the material life cycle. These technologies need not focus on designing the material, rather, the technology must focus on designing with the material, i. e., developing methods to design components fabricated from the new material. Thus a basic tenet that motivated this research effort is that a persistent need exists for improvements in the analysis of components fabricated from CMC material systems. From an aerospace design engineer's perspective the new generation of ceramic composites offers a significant potential for raising the thrust/weight ratio and reducing NOx emissions of gas turbine engines. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for 'graceful' rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Thus any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Establishing design protocols that enable the engineer to analyze and predict this type of behavior in ceramic composites was the general goal of this project.

  18. Design protocols and analytical strategies that incorporate structural reliability models

    NASA Astrophysics Data System (ADS)

    Duffy, Stephen F.

    1995-08-01

    In spite of great improvements in accuracy through the use of computers, design methods, which can be equally critical in establishing the commercial success of a material, have been treated as afterthoughts. Early investment in design and development technologies can easily reduce manufacturing costs later in the product cycle. To avoid lengthy product development times for ceramic composites, funding agencies for materials research must commit resources to support design and development technologies early in the material life cycle. These technologies need not focus on designing the material, rather, the technology must focus on designing with the material, i. e., developing methods to design components fabricated from the new material. Thus a basic tenet that motivated this research effort is that a persistent need exists for improvements in the analysis of components fabricated from CMC material systems. From an aerospace design engineer's perspective the new generation of ceramic composites offers a significant potential for raising the thrust/weight ratio and reducing NOx emissions of gas turbine engines. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for 'graceful' rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Thus any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Establishing design protocols that enable the engineer to analyze and predict this type of behavior in ceramic composites was the general goal of this project.

  19. First-principles engineering of charged defects for two-dimensional quantum technologies

    NASA Astrophysics Data System (ADS)

    Wu, Feng; Galatas, Andrew; Sundararaman, Ravishankar; Rocca, Dario; Ping, Yuan

    2017-12-01

    Charged defects in two-dimensional (2D) materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. The advancement of these technologies requires a rational design of ideal defect centers, demanding reliable computation methods for the quantitatively accurate prediction of defect properties. We present an accurate, parameter-free, and efficient procedure to evaluate the quasiparticle defect states and thermodynamic charge transition levels of defects in 2D materials. Importantly, we solve critical issues that stem from the strongly anisotropic screening in 2D materials, that have so far precluded the accurate prediction of charge transition levels in these materials. Using this procedure, we investigate various defects in monolayer hexagonal boron nitride (h -BN ) for their charge transition levels, stable spin states, and optical excitations. We identify CBVN (nitrogen vacancy adjacent to carbon substitution of boron) to be the most promising defect candidate for scalable quantum bit and emitter applications.

  20. Testing of New Materials and Computer Aided Optimization of Process Parameters and Clamping Device During Predevelopment of Laser Welding Processes

    NASA Astrophysics Data System (ADS)

    Weidinger, Peter; Günther, Kay; Fitzel, Martin; Logvinov, Ruslan; Ilin, Alexander; Ploshikhin, Vasily; Hugger, Florian; Mann, Vincent; Roth, Stephan; Schmidt, Michael

    The necessity for weight reduction in motor vehicles in order to save fuel consumption pushes automotive suppliers to use materials of higher strength. Due to their excellent crash behavior high strength steels are increasingly applied in various structures. In this paper some predevelopment steps for a material change from a micro alloyed to dual phase and complex phase steels of a T-joint assembly are displayed. Initially the general weldability of the materials regarding pore formation, hardening in the heat affected zone and hot cracking susceptibility is discussed. After this basic investigation, the computer aided design optimization of a clamping device is shown, in which influences of the clamping jaw, the welding position and the clamping forces upon weld quality are presented. Finally experimental results of the welding process are displayed, which validate the numerical simulation.

  1. Proton transport in functionalised additives for PEM fuel cells: contributions from atomistic simulations.

    PubMed

    Tölle, Pia; Köhler, Christof; Marschall, Roland; Sharifi, Monir; Wark, Michael; Frauenheim, Thomas

    2012-08-07

    The conventional polymer electrolyte membrane (PEM) materials for fuel cell applications strongly rely on temperature and pressure conditions for optimal performance. In order to expand the range of operating conditions of these conventional PEM materials, mesoporous functionalised SiO(2) additives are developed. It has been demonstrated that these additives themselves achieve proton conductivities approaching those of conventional materials. However, the proton conduction mechanisms and especially factors influencing charge carrier mobility under different hydration conditions are not well known and difficult to separate from concentration effects in experiments. This tutorial review highlights contributions of atomistic computer simulations to the basic understanding and eventual design of these materials. Some basic introduction to the theoretical and computational framework is provided to introduce the reader to the field, the techniques are in principle applicable to a wide range of other situations as well. Simulation results are directly compared to experimental data as far as possible.

  2. SU-F-E-13: Design and Fabrication of Gynacological Brachytherapy Shielding & Non Shielding Applicators Using Indigenously Developed 3D Printing Machine

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shanmugam, S

    Purpose: In this innovative work we have developed Gynecological Brachytherapy shielding & Non Shielding Applicators and compared with the commercially available applicators by using the indigenously developed 3D Printing machine. Methods: We have successfully indigenously developed the 3D printing machine. Which contain the 3 dimensional motion platform, Heater unit, base plate, ect… To fabricate the Gynecological Brachytherapy shielding & non shielding applicators the 3D design were developed in the computer as virtual design. This virtual design is made in a CAD computer file using a 3D modeling program. Separate programme for the shielding & non shielding applicators. We have alsomore » provided the extra catheter insert provision in the applicator for the multiple catheter. The DICOM file of the applicator were then converted to stereo Lithography file for the 3D printer. The shielding & Non Shielding Applicators were printed on a indigenously developed 3D printer material. The same dimensions were used to develop the applicators in the acrylic material also for the comparative study. A CT scan was performed to establish an infill-density calibration curve as well as characterize the quality of the print such as uniformity and the infill pattern. To commission the process, basic CT and dose properties of the printing materials were measured in photon beams and compared against water and soft tissue. Applicator were then scanned to confirm the placement of multiple catheter position. Finally dose distributions with rescanned CTs were compared with those computer-generated applicators. Results: The doses measured from the ion Chamber and X-Omat film test were within 2%. The shielded applicator reduce the rectal dose comparatively with the non shielded applicator. Conclusion: As of submission 3 unique cylinders have been designed, printed, and tested dosimetrically. A standardizable workflow for commissioning custom 3D printed applicators was codified and will be reported.« less

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

    PubMed

    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.

  4. Computational Modeling in Structural Materials Processing

    NASA Technical Reports Server (NTRS)

    Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

    1997-01-01

    High temperature materials such as silicon carbide, a variety of nitrides, and ceramic matrix composites find use in aerospace, automotive, machine tool industries and in high speed civil transport applications. Chemical vapor deposition (CVD) is widely used in processing such structural materials. Variations of CVD include deposition on substrates, coating of fibers, inside cavities and on complex objects, and infiltration within preforms called chemical vapor infiltration (CVI). Our current knowledge of the process mechanisms, ability to optimize processes, and scale-up for large scale manufacturing is limited. In this regard, computational modeling of the processes is valuable since a validated model can be used as a design tool. The effort is similar to traditional chemically reacting flow modeling with emphasis on multicomponent diffusion, thermal diffusion, large sets of homogeneous reactions, and surface chemistry. In the case of CVI, models for pore infiltration are needed. In the present talk, examples of SiC nitride, and Boron deposition from the author's past work will be used to illustrate the utility of computational process modeling.

  5. Nanoscience Research for Energy Needs

    DTIC Science & Technology

    2005-06-01

    demonstrated using highly defective nanoscale inorganic materials in battery chemistry (e.g., Li-ion insertion into V2O5 aerogels at unprecedented Li-to...devices. One future path of nanoscale design and synthesis of disordered high-performance energy materials may be to mimic glass science; however, to...stabilize a technically important but unstable glass composition, another ingredient may be necessary. Computational chemistry will be key in selecting

  6. Radiative Heat Transfer Modeling in Fibrous Porous Media

    NASA Technical Reports Server (NTRS)

    Sobhani, Sadaf; Panerai, Francesco; Borner, Arnaud; Ferguson, Joseph C.; Wray, Alan; Mansour, Nagi N.

    2017-01-01

    Phenolic-Impregnated Carbon Ablator (PICA) was developed at NASA Ames Research Center as a lightweight thermal protection system material for successful atmospheric entries. The objective of the current work is to compute the effective radiative conductivity of fibrous porous media, such as preforms used to make PICA, to enable the efficient design of materials that can meet the thermal performance goals of forthcoming space exploration missions.

  7. A comparative study of gamma-ray interaction and absorption in some building materials using Zeff-toolkit

    NASA Astrophysics Data System (ADS)

    Mann, Kulwinder Singh; Heer, Manmohan Singh; Rani, Asha

    2016-07-01

    The gamma-ray shielding behaviour of a material can be investigated by determining its various interaction and energy-absorption parameters (such as mass attenuation coefficients, mass energy absorption coefficients, and corresponding effective atomic numbers and electron densities). Literature review indicates that the effective atomic number (Zeff) has been used as extensive parameters for evaluating the effects and defect in the chosen materials caused by ionising radiations (X-rays and gamma-rays). A computer program (Zeff-toolkit) has been designed for obtaining the mean value of effective atomic number calculated by three different methods. A good agreement between the results obtained with Zeff-toolkit, Auto_Zeff software and experimentally measured values of Zeff has been observed. Although the Zeff-toolkit is capable of computing effective atomic numbers for both photon interaction (Zeff,PI) and energy absorption (Zeff,En) using three methods in each. No similar computer program is available in the literature which simultaneously computes these parameters simultaneously. The computed parameters have been compared and correlated in the wide energy range (0.001-20 MeV) for 10 commonly used building materials. The prominent variations in these parameters with gamma-ray photon energy have been observed due to the dominance of various absorption and scattering phenomena. The mean values of two effective atomic numbers (Zeff,PI and Zeff,En) are equivalent at energies below 0.002 MeV and above 0.3 MeV, indicating the dominance of gamma-ray absorption (photoelectric and pair production) over scattering (Compton) at these energies. Conversely in the energy range 0.002-0.3 MeV, the Compton scattering of gamma-rays dominates the absorption. From the 10 chosen samples of building materials, 2 soils showed better shielding behaviour than did other 8 materials.

  8. Software For Design Of Life-Support Systems

    NASA Technical Reports Server (NTRS)

    Rudokas, Mary R.; Cantwell, Elizabeth R.; Robinson, Peter I.; Shenk, Timothy W.

    1991-01-01

    Design Assistant Workstation (DAWN) computer program is prototype of expert software system for analysis and design of regenerative, physical/chemical life-support systems that revitalize air, reclaim water, produce food, and treat waste. Incorporates both conventional software for quantitative mathematical modeling of physical, chemical, and biological processes and expert system offering user stored knowledge about materials and processes. Constructs task tree as it leads user through simulated process, offers alternatives, and indicates where alternative not feasible. Also enables user to jump from one design level to another.

  9. Human/Computer Interfacing in Educational Environments.

    ERIC Educational Resources Information Center

    Sarti, Luigi

    1992-01-01

    This discussion of educational applications of user interfaces covers the benefits of adopting database techniques in organizing multimedia materials; the evolution of user interface technology, including teletype interfaces, analogic overlay graphics, window interfaces, and adaptive systems; application design problems, including the…

  10. Computer aided design of nano-structured materials with tailored ionic conductivities.

    PubMed

    Sayle, Dean C; Doig, James A; Parker, Stephen C; Watson, Graeme W; Sayle, Thi X T

    2005-01-07

    We show, using simulation techniques, that the high ionic conductivity in BaF2/CaF2 heterolayers is because the interfaces reduce the activation energy barriers to mobility and increase the number of charge carriers.

  11. 76 FR 26720 - Notice of Intent: Designation of an Expanded Ocean Dredged Material Disposal Site (ODMDS) off...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-09

    ... Port Everglades Harbor. The need for an expanded ODMDS is based on capacity computer modeling results...: EPA is requesting written comments from federal, state, and local governments, industry, non...

  12. 75 FR 39523 - Notice of Intent: Designation of an Ocean Dredged Material Disposal Site (ODMDS) Off the Mouth of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-09

    ..., capacity computer modeling results, and estimates of future proposed projects. Alternatives: The following... federal, state, and local governments, industry, non-governmental organizations, and the general public on...

  13. Porous Molecular Solids and Liquids

    PubMed Central

    2017-01-01

    Until recently, porous molecular solids were isolated curiosities with properties that were eclipsed by porous frameworks, such as metal–organic frameworks. Now molecules have emerged as a functional materials platform that can have high levels of porosity, good chemical stability, and, uniquely, solution processability. The lack of intermolecular bonding in these materials has also led to new, counterintuitive states of matter, such as porous liquids. Our ability to design these materials has improved significantly due to advances in computational prediction methods. PMID:28691065

  14. Predicting materials for sustainable energy sources: The key role of density functional theory

    NASA Astrophysics Data System (ADS)

    Galli, Giulia

    Climate change and the related need for sustainable energy sources replacing fossil fuels are pressing societal problems. The development of advanced materials is widely recognized as one of the key elements for new technologies that are required to achieve a sustainable environment and provide clean and adequate energy for our planet. We discuss the key role played by Density Functional Theory, and its implementations in high performance computer codes, in understanding, predicting and designing materials for energy applications.

  15. Thermal insulation materials for inside applications: Hygric and thermal properties

    NASA Astrophysics Data System (ADS)

    Jerman, Miloš; Černý, Robert

    2017-11-01

    Two thermal insulation materials suitable for the application on the interior side of historical building envelopes, namely calcium silicate and polyurethane-based foam are studied. Moisture diffusivity and thermal conductivity of both materials, as fundamental moisture and heat transport parameters, are measured in a dependence on moisture content. The measured data will be used as input parameters in computer simulation studies which will provide moisture and temperature fields necessary for an appropriate design of interior thermal insulation systems.

  16. Porous ceramic scaffolds with complex architectures

    NASA Astrophysics Data System (ADS)

    Munch, E.; Franco, J.; Deville, S.; Hunger, P.; Saiz, E.; Tomsia, A. P.

    2008-06-01

    This work compares two novel techniques for the fabrication of ceramic scaffolds for bone tissue engineering with complex porosity: robocasting and freeze casting. Both techniques are based on the preparation of concentrated ceramic suspensions with suitable properties for the process. In robocasting, the computer-guided deposition of the suspensions is used to build porous materials with designed three dimensional geometries and microstructures. Freeze casting uses ice crystals as a template to form porous lamellar ceramic materials. Preliminary results on the compressive strengths of the materials are also reported.

  17. Teaching the Grammar and Syntax of Business German: Problems and Practical Suggestions. Innovative Strategies and Exercises for Computer-Aided Instruction: Word Order Variation.

    ERIC Educational Resources Information Center

    Paulsell, Patricia R.

    A computer program is described that is a substack of the "Business German" HyperCard program previously developed by Paulsell and designed as a tutorial to be used with materials for a business German course on the third year college level. The program consists of six stacks, a central one providing graphics-based information on Germany…

  18. Survey of digital filtering

    NASA Technical Reports Server (NTRS)

    Nagle, H. T., Jr.

    1972-01-01

    A three part survey is made of the state-of-the-art in digital filtering. Part one presents background material including sampled data transformations and the discrete Fourier transform. Part two, digital filter theory, gives an in-depth coverage of filter categories, transfer function synthesis, quantization and other nonlinear errors, filter structures and computer aided design. Part three presents hardware mechanization techniques. Implementations by general purpose, mini-, and special-purpose computers are presented.

  19. The automated design of materials far from equilibrium

    NASA Astrophysics Data System (ADS)

    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 density. We examine how the results of a design process are contingent upon operating conditions by studying which shapes dissipate energy fastest in a granular gas. We even move to create optimization algorithms for the expressed purpose of material design, by integrating them with statistical mechanics. In all of these cases, we show that turning to machines puts a fresh perspective on materials far from equilibrium. By matching forms to functions, complexities become possibilities, motifs emerge that describe new physics, and the door opens to rational design.

  20. Instruction by Design, A Report on the Conference on New Instructional Materials in Physics (University of Washington, Seattle, June 21-August 21, 1965).

    ERIC Educational Resources Information Center

    Commission on Coll. Physics, College Park, MD.

    This review has a section devoted to each of the following conference topics: Monographs, Film, Experiment Sequences, Computer-assisted Instruction, Designing a Unit of Instruction, and Toward New Solutions. Each section contains background discussion on the rationale, philosophy, and importance for improvements in the area being considered. The…

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