Sample records for computer materials science

  1. Berkeley Lab - Materials Sciences Division

    Science.gov Websites

    Computational Study of Excited-State Phenomena in Energy Materials Center for X-ray Optics MSD Facilities Ion and Materials Physics Scattering and Instrumentation Science Centers Center for Computational Study of Sciences Centers Center for Computational Study of Excited-State Phenomena in Energy Materials Center for X

  2. Opportunities for Computational Discovery in Basic Energy Sciences

    NASA Astrophysics Data System (ADS)

    Pederson, Mark

    2011-03-01

    An overview of the broad-ranging support of computational physics and computational science within the Department of Energy Office of Science will be provided. Computation as the third branch of physics is supported by all six offices (Advanced Scientific Computing, Basic Energy, Biological and Environmental, Fusion Energy, High-Energy Physics, and Nuclear Physics). Support focuses on hardware, software and applications. Most opportunities within the fields of~condensed-matter physics, chemical-physics and materials sciences are supported by the Officeof Basic Energy Science (BES) or through partnerships between BES and the Office for Advanced Scientific Computing. Activities include radiation sciences, catalysis, combustion, materials in extreme environments, energy-storage materials, light-harvesting and photovoltaics, solid-state lighting and superconductivity.~ A summary of two recent reports by the computational materials and chemical communities on the role of computation during the next decade will be provided. ~In addition to materials and chemistry challenges specific to energy sciences, issues identified~include a focus on the role of the domain scientist in integrating, expanding and sustaining applications-oriented capabilities on evolving high-performance computing platforms and on the role of computation in accelerating the development of innovative technologies. ~~

  3. The journey from forensic to predictive materials science using density functional theory

    DOE PAGES

    Schultz, Peter A.

    2017-09-12

    Approximate methods for electronic structure, implemented in sophisticated computer codes and married to ever-more powerful computing platforms, have become invaluable in chemistry and materials science. The maturing and consolidation of quantum chemistry codes since the 1980s, based upon explicitly correlated electronic wave functions, has made them a staple of modern molecular chemistry. Here, the impact of first principles electronic structure in physics and materials science had lagged owing to the extra formal and computational demands of bulk calculations.

  4. The journey from forensic to predictive materials science using density functional theory

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

    Schultz, Peter A.

    Approximate methods for electronic structure, implemented in sophisticated computer codes and married to ever-more powerful computing platforms, have become invaluable in chemistry and materials science. The maturing and consolidation of quantum chemistry codes since the 1980s, based upon explicitly correlated electronic wave functions, has made them a staple of modern molecular chemistry. Here, the impact of first principles electronic structure in physics and materials science had lagged owing to the extra formal and computational demands of bulk calculations.

  5. Density functional theory in materials science.

    PubMed

    Neugebauer, Jörg; Hickel, Tilmann

    2013-09-01

    Materials science is a highly interdisciplinary field. It is devoted to the understanding of the relationship between (a) fundamental physical and chemical properties governing processes at the atomistic scale with (b) typically macroscopic properties required of materials in engineering applications. For many materials, this relationship is not only determined by chemical composition, but strongly governed by microstructure. The latter is a consequence of carefully selected process conditions (e.g., mechanical forming and annealing in metallurgy or epitaxial growth in semiconductor technology). A key task of computational materials science is to unravel the often hidden composition-structure-property relationships using computational techniques. The present paper does not aim to give a complete review of all aspects of materials science. Rather, we will present the key concepts underlying the computation of selected material properties and discuss the major classes of materials to which they are applied. Specifically, our focus will be on methods used to describe single or polycrystalline bulk materials of semiconductor, metal or ceramic form.

  6. 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

  7. The structural science of functional materials.

    PubMed

    Catlow, C Richard A

    2018-01-01

    The growing complexity of functional materials and the major challenges this poses to structural science are discussed. The diversity of structural materials science and the contributions that computation is making to the field are highlighted.

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

    NASA Technical Reports Server (NTRS)

    Ferrante, J.; Bozzolo, G. H.

    1992-01-01

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

  9. Defining Computational Thinking for Mathematics and Science Classrooms

    NASA Astrophysics Data System (ADS)

    Weintrop, David; Beheshti, Elham; Horn, Michael; Orton, Kai; Jona, Kemi; Trouille, Laura; Wilensky, Uri

    2016-02-01

    Science and mathematics are becoming computational endeavors. This fact is reflected in the recently released Next Generation Science Standards and the decision to include "computational thinking" as a core scientific practice. With this addition, and the increased presence of computation in mathematics and scientific contexts, a new urgency has come to the challenge of defining computational thinking and providing a theoretical grounding for what form it should take in school science and mathematics classrooms. This paper presents a response to this challenge by proposing a definition of computational thinking for mathematics and science in the form of a taxonomy consisting of four main categories: data practices, modeling and simulation practices, computational problem solving practices, and systems thinking practices. In formulating this taxonomy, we draw on the existing computational thinking literature, interviews with mathematicians and scientists, and exemplary computational thinking instructional materials. This work was undertaken as part of a larger effort to infuse computational thinking into high school science and mathematics curricular materials. In this paper, we argue for the approach of embedding computational thinking in mathematics and science contexts, present the taxonomy, and discuss how we envision the taxonomy being used to bring current educational efforts in line with the increasingly computational nature of modern science and mathematics.

  10. NASA Tech Briefs, August 1993. Volume 17, No. 8

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Computer Graphics; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  11. 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;

  12. NASA Tech Briefs, August 1994. Volume 18, No. 8

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics covered include: Computer Hardware; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  13. Computational Materials Science | Materials Science | NREL

    Science.gov Websites

    of water splitting and fuel cells Nanoparticles for thermal storage New Materials for High-Capacity Theoretical Methodologies for Studying Complex Materials Contact Stephan Lany Staff Scientist Dr. Lany is a

  14. NASA Tech Briefs, December 1993. Volume 17, No. 12

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics covered include: High-Performance Computing; 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.

  15. [Activities of Institute for Computer Applications in Science and Engineering (ICASE)

    NASA Technical Reports Server (NTRS)

    Bushnell, Dennis M. (Technical Monitor)

    2001-01-01

    This report summarizes research conducted at ICASE in applied mathematics, fluid mechanics, computer science, and structures and material sciences during the period April 1, 2000 through September 30, 2000.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. [Research Conducted at the Institute for Computer Applications in Science and Engineering for the Period October 1, 1999 through March 31, 2000

    NASA Technical Reports Server (NTRS)

    Bushnell, Dennis M. (Technical Monitor)

    2000-01-01

    This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, computer science, fluid mechanics, and structures and materials during the period October 1, 1999 through March 31, 2000.

  3. High performance computing for advanced modeling and simulation of materials

    NASA Astrophysics Data System (ADS)

    Wang, Jue; Gao, Fei; Vazquez-Poletti, Jose Luis; Li, Jianjiang

    2017-02-01

    The First International Workshop on High Performance Computing for Advanced Modeling and Simulation of Materials (HPCMS2015) was held in Austin, Texas, USA, Nov. 18, 2015. HPCMS 2015 was organized by Computer Network Information Center (Chinese Academy of Sciences), University of Michigan, Universidad Complutense de Madrid, University of Science and Technology Beijing, Pittsburgh Supercomputing Center, China Institute of Atomic Energy, and Ames Laboratory.

  4. First principles calculations of thermal conductivity with out of equilibrium molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

    The prediction of the thermal properties of solids and liquids is central to numerous problems in condensed matter physics and materials science, including the study of thermal management of opto-electronic and energy conversion devices. We present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at non equilibrium conditions. Our formulation is based on a generalization of the approach to equilibrium technique, using sinusoidal temperature gradients, and it only requires calculations of first principles trajectories and atomic forces. We discuss results and computational requirements for a representative, simple oxide, MgO, and compare with experiments and data obtained with classical potentials. This work was supported by MICCoM as part of the Computational Materials Science Program funded by the U.S. Department of Energy (DOE), Office of Science , Basic Energy Sciences (BES), Materials Sciences and Engineering Division under Grant DOE/BES 5J-30.

  5. Basic Energy Sciences Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Basic Energy Sciences, November 3-5, 2015, Rockville, Maryland

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

    Windus, Theresa; Banda, Michael; Devereaux, Thomas

    Computers have revolutionized every aspect of our lives. Yet in science, the most tantalizing applications of computing lie just beyond our reach. The current quest to build an exascale computer with one thousand times the capability of today’s fastest machines (and more than a million times that of a laptop) will take researchers over the next horizon. The field of materials, chemical reactions, and compounds is inherently complex. Imagine millions of new materials with new functionalities waiting to be discovered — while researchers also seek to extend those materials that are known to a dizzying number of new forms. Wemore » could translate massive amounts of data from high precision experiments into new understanding through data mining and analysis. We could have at our disposal the ability to predict the properties of these materials, to follow their transformations during reactions on an atom-by-atom basis, and to discover completely new chemical pathways or physical states of matter. Extending these predictions from the nanoscale to the mesoscale, from the ultrafast world of reactions to long-time simulations to predict the lifetime performance of materials, and to the discovery of new materials and processes will have a profound impact on energy technology. In addition, discovery of new materials is vital to move computing beyond Moore’s law. To realize this vision, more than hardware is needed. New algorithms to take advantage of the increase in computing power, new programming paradigms, and new ways of mining massive data sets are needed as well. This report summarizes the opportunities and the requisite computing ecosystem needed to realize the potential before us. In addition to pursuing new and more complete physical models and theoretical frameworks, this review found that the following broadly grouped areas relevant to the U.S. Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR) would directly affect the Basic Energy Sciences (BES) mission need. Simulation, visualization, and data analysis are crucial for advances in energy science and technology. Revolutionary mathematical, software, and algorithm developments are required in all areas of BES science to take advantage of exascale computing architectures and to meet data analysis, management, and workflow needs. In partnership with ASCR, BES has an emerging and pressing need to develop new and disruptive capabilities in data science. More capable and larger high-performance computing (HPC) and data ecosystems are required to support priority research in BES. Continued success in BES research requires developing the next-generation workforce through education and training and by providing sustained career opportunities.« less

  6. Bringing computational science to the public.

    PubMed

    McDonagh, James L; Barker, Daniel; Alderson, Rosanna G

    2016-01-01

    The increasing use of computers in science allows for the scientific analyses of large datasets at an increasing pace. We provided examples and interactive demonstrations at Dundee Science Centre as part of the 2015 Women in Science festival, to present aspects of computational science to the general public. We used low-cost Raspberry Pi computers to provide hands on experience in computer programming and demonstrated the application of computers to biology. Computer games were used as a means to introduce computers to younger visitors. The success of the event was evaluated by voluntary feedback forms completed by visitors, in conjunction with our own self-evaluation. This work builds on the original work of the 4273π bioinformatics education program of Barker et al. (2013, BMC Bioinform. 14:243). 4273π provides open source education materials in bioinformatics. This work looks at the potential to adapt similar materials for public engagement events. It appears, at least in our small sample of visitors (n = 13), that basic computational science can be conveyed to people of all ages by means of interactive demonstrations. Children as young as five were able to successfully edit simple computer programs with supervision. This was, in many cases, their first experience of computer programming. The feedback is predominantly positive, showing strong support for improving computational science education, but also included suggestions for improvement. Our conclusions are necessarily preliminary. However, feedback forms suggest methods were generally well received among the participants; "Easy to follow. Clear explanation" and "Very easy. Demonstrators were very informative." Our event, held at a local Science Centre in Dundee, demonstrates that computer games and programming activities suitable for young children can be performed alongside a more specialised and applied introduction to computational science for older visitors.

  7. 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.

  8. Pedagogical Content Knowledge in Teaching Material

    ERIC Educational Resources Information Center

    Saeli, Mara; Perrenet, Jacob; Jochems, Wim M. G.; Zwaneveld, Bert

    2012-01-01

    The scope of this article is to understand to what extent Computer Science teachers can find support for their Pedagogical Content Knowledge (PCK) in teaching material. We report the results of a study in which PCK is used as framework to develop a research instrument to examine three high school computer science textbooks, with special focus on…

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

    PubMed

    McEvoy, M A; Correll, N

    2015-03-20

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

  10. NASA Tech Briefs, June 1996. Volume 20, No. 6

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics: New Computer Hardware; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences;Books and Reports.

  11. 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…

  12. 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;

  13. Computational materials science and engineering education: A survey of trends and needs

    NASA Astrophysics Data System (ADS)

    Thornton, K.; Nola, Samanthule; Edwin Garcia, R.; Asta, Mark; Olson, G. B.

    2009-10-01

    Results from a recent reassessment of the state of computational materials science and engineering (CMSE) education are reported. Surveys were distributed to the chairs and heads of materials programs, faculty members engaged in computational research, and employers of materials scientists and engineers, mainly in the United States. The data was compiled to assess current course offerings related to CMSE, the general climate for introducing computational methods in MSE curricula, and the requirements from the employers’ viewpoint. Furthermore, the available educational resources and their utilization by the community are examined. The surveys show a general support for integrating computational content into MSE education. However, they also reflect remaining issues with implementation, as well as a gap between the tools being taught in courses and those that are used by employers. Overall, the results suggest the necessity for a comprehensively developed vision and plans to further the integration of computational methods into MSE curricula.

  14. NASA Tech Briefs, June 1997. Volume 21, No. 6

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics include: Computer Hardware and Peripherals; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Books and Reports.

  15. 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.

  16. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2012-09-01

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

  18. 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…

  19. NASA/DoD Aerospace Knowledge Diffusion Research Project. Report Number 20. The Use of Selected Information Products and Services by U.S. Aerospace Engineers and Scientists: Results of Two Surveys.

    DTIC Science & Technology

    1994-02-01

    within and between organizations. The technical report has been defined etymologically , according to report content and method (U.S. Department of...number) I AERONAUTICS 6 MATHEMATICAL & COMPUTER SCIENCES 2 ASTRONAUTICS 7 MATERIALS & CHEMISTRY 3 ENGINEERING 8 PHYSICS 4 GEOSCIENCES 9 SPACE SCIENCES 5...the application of your work? (Circle ONLY one number) 1 AERONAUTICS 6 MATHEMATICAL & COMPUTER SCIENCES 2 ASTRONAUTICS 7 MATERIALS & CHEMISTRY 3

  20. 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

  1. Enlist micros: Training science teachers to use microcomputers

    NASA Astrophysics Data System (ADS)

    Baird, William E.; Ellis, James D.; Kuerbis, Paul J.

    A National Science Foundation grant to the Biological Sciences Curriculum Study (BSCS) at The Colorado College supported the design and production of training materials to encourage literacy of science teachers in the use of microcomputers. ENLIST Micros is based on results of a national needs assessment that identified 22 compentencies needed by K-12 science teachers to use microcomputers for instruction. A writing team developed the 16-hour training program in the summer of 1985, and field-test coordinators tested it with 18 preservice or in-service groups during the 1985-86 academic year at 15 sites within the United States. The training materials consist of video programs, interactive computer disks for the Apple II series microcomputer, a training manual for participants, and a guide for the group leader. The experimental materials address major areas of educational computing: awareness, applications, implementation, evaluation, and resources. Each chapter contains activities developed for this program, such as viewing video segments of science teachers who are using computers effectively and running commercial science and training courseware. Role playing and small-group interaction help the teachers overcome their reluctance to use computers and plan for effective implementation of microcomputers in the school. This study examines the implementation of educational computing among 47 science teachers who completed the ENLIST Micros training at a southern university. We present results of formative evaluation for that site. Results indicate that both elementary and secondary teachers benefit from the training program and demonstrate gains in attitudes toward computer use. Participating teachers said that the program met its stated objectives and helped them obtain needed skills. Only 33 percent of these teachers, however, reported using computers one year after the training. In June 1986, the BSCS initiated a follow up to the ENLIST Micros curriculum to develop, evaluate, and disseminate a complete model of teacher enhancement for educational computing in the sciences. In that project, we use the ENLIST Micros curriculum as the first step in a training process. The project includes seminars that introduce additional skills: It contains provisions for sharing among participants, monitors use of computers in participants' classrooms, provides structured coaching of participants' use of computers in their classrooms, and offers planned observations of peers using computers in their science teaching.

  2. 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.

  3. 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

  4. Computer Science Professionals and Greek Library Science

    ERIC Educational Resources Information Center

    Dendrinos, Markos N.

    2008-01-01

    This paper attempts to present the current state of computer science penetration into librarianship in terms of both workplace and education issues. The shift from material libraries into digital libraries is mirrored in the corresponding shift from librarians into information scientists. New library data and metadata, as well as new automated…

  5. Parameters Free Computational Characterization of Defects in Transition Metal Oxides with Diffusion Quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R.; Reboredo, Fernando

    Materials based on transition metal oxides (TMO's) are among the most challenging systems for computational characterization. Reliable and practical computations are possible by directly solving the many-body problem for TMO's with quantum Monte Carlo (QMC) methods. These methods are very computationally intensive, but recent developments in algorithms and computational infrastructures have enabled their application to real materials. We will show our efforts on the application of the diffusion quantum Monte Carlo (DMC) method to study the formation of defects in binary and ternary TMO and heterostructures of TMO. We will also outline current limitations in hardware and algorithms. This work is supported by the Materials Sciences & Engineering Division of the Office of Basic Energy Sciences, U.S. Department of Energy (DOE).

  6. NASA Tech Briefs, December 2002

    NASA Technical Reports Server (NTRS)

    2002-01-01

    Topics covered include: Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; and Life Sciences.

  7. Inventory of Innovative Learning Materials in Marine Science and Technology. UNESCO Reports in Marine Science 60.

    ERIC Educational Resources Information Center

    Richards, Adrian F.; Richards, Efrosine A.

    The Inventory of Innovative Learning Materials in Marine Science and Technology includes 32 computer-, 148 video-, 16 film-, and 11 CD-ROM-based entries. They concern materials in biosciences (67), chemistry (5), geosciences (16), physics (23), technology (76) and other (20). This first, initial compilations is conceived as the basis for more…

  8. NASA Tech Briefs, July 1995. Volume 19, No. 7

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Topics include: mechanical components, electronic components and circuits, electronic systems, physical sciences, materials, computer programs, mechanics, machinery, manufacturing/fabrication, mathematics and information sciences, book and reports, and a special section of Federal laboratory computing Tech Briefs.

  9. 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.

  10. Master Plan: The Introduction of Computer Science and Computer Related Instructional Programs, 1982-1985. Office of Instruction Publication Report No. 82-07.

    ERIC Educational Resources Information Center

    Veley, Victor F.; And Others

    This report presents a master plan for the development of computer science and computer-related programs at Los Angeles Trade-Technical College for 1982 through 1985. Introductory material outlines the main elements of the plan: to analyze existing computer courses, to create new courses in Laser Technology, Genetic Engineering, and Robotics; and…

  11. Bringing Computational Thinking into the High School Science and Math Classroom

    NASA Astrophysics Data System (ADS)

    Trouille, Laura; Beheshti, E.; Horn, M.; Jona, K.; Kalogera, V.; Weintrop, D.; Wilensky, U.; University CT-STEM Project, Northwestern; University CenterTalent Development, Northwestern

    2013-01-01

    Computational thinking (for example, the thought processes involved in developing algorithmic solutions to problems that can then be automated for computation) has revolutionized the way we do science. The Next Generation Science Standards require that teachers support their students’ development of computational thinking and computational modeling skills. As a result, there is a very high demand among teachers for quality materials. Astronomy provides an abundance of opportunities to support student development of computational thinking skills. Our group has taken advantage of this to create a series of astronomy-based computational thinking lesson plans for use in typical physics, astronomy, and math high school classrooms. This project is funded by the NSF Computing Education for the 21st Century grant and is jointly led by Northwestern University’s Center for Interdisciplinary Exploration and Research in Astrophysics (CIERA), the Computer Science department, the Learning Sciences department, and the Office of STEM Education Partnerships (OSEP). I will also briefly present the online ‘Astro Adventures’ courses for middle and high school students I have developed through NU’s Center for Talent Development. The online courses take advantage of many of the amazing online astronomy enrichment materials available to the public, including a range of hands-on activities and the ability to take images with the Global Telescope Network. The course culminates with an independent computational research project.

  12. 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

  13. 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

  14. NASA Tech Briefs, August 1992. Volume 16, No. 8

    NASA Technical Reports Server (NTRS)

    1992-01-01

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

  15. NASA Tech Briefs, September 1992. Volume 16, No.9

    NASA Technical Reports Server (NTRS)

    1992-01-01

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

  16. NASA Tech Briefs, January 1993. Volume 17, No. 1

    NASA Technical Reports Server (NTRS)

    1993-01-01

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

  17. NASA Tech Briefs, November 1992. Volume 16, No. 11

    NASA Technical Reports Server (NTRS)

    1992-01-01

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

  18. NASA Tech Briefs, December 1992. Volume 16, No. 12

    NASA Technical Reports Server (NTRS)

    1992-01-01

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

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

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

    Schuller, Ivan K.; Stevens, Rick; Pino, Robinson

    2015-10-29

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

  20. NASA Tech Briefs, October 1989. Volume 13, No. 10

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences

  1. NASA Tech Briefs, February 1990. Volume 14, No. 2

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences

  2. NASA Tech Briefs, January 1990. Volume 14, No. 1

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences

  3. NASA Tech Briefs, November 1989. Volume 13, No. 11

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences

  4. NASA Tech Briefs, September 1989. Volume 13, No. 9

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences.

  5. NASA Tech Briefs, October 1992. Volume 16, No. 10

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics covered include: Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication technology; Mathematics and Information Sciences; Life Sciences.

  6. NASA Tech Briefs, December 1989. Volume 13, No. 12

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences.

  7. NASA Tech Briefs, April 1993. Volume 17, No. 4

    NASA Technical Reports Server (NTRS)

    1993-01-01

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

  8. NASA Tech Briefs, March 1990. Volume 14, No. 3

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences

  9. NASA Tech Briefs, January 1989. Volume 13, No. 1

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics include: Electronic Components & and Circuits. Electronic Systems, A Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences.

  10. NASA Tech Briefs, June 1993. Volume 17, No. 6

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Imaging Technology: Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  11. NASA Tech Briefs, November 1993. Volume 17, No. 11

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics covered: Advanced Manufacturing; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  12. NASA Tech Briefs, February 1993. Volume 17, No. 2

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Communication Technology; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  13. 34 CFR 280.40 - What costs are allowable?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... equipment (including computers) and the maintenance and operation of materials, equipment and computers. Any... related to improving student reading skills or knowledge of mathematics, science, history, geography... improving student reading skills or knowledge of mathematics, science, history, geography, English, foreign...

  14. 34 CFR 280.40 - What costs are allowable?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... equipment (including computers) and the maintenance and operation of materials, equipment and computers. Any... related to improving student reading skills or knowledge of mathematics, science, history, geography... improving student reading skills or knowledge of mathematics, science, history, geography, English, foreign...

  15. 34 CFR 280.40 - What costs are allowable?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... equipment (including computers) and the maintenance and operation of materials, equipment and computers. Any... related to improving student reading skills or knowledge of mathematics, science, history, geography... improving student reading skills or knowledge of mathematics, science, history, geography, English, foreign...

  16. NASA Tech Briefs, January 1992. Volume 16, No. 1

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics include: New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Fabrication; Mathematics and Information Sciences; Life Sciences;

  17. NASA Tech Briefs, May 1992. Volume 16, No. 5

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics include: New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  18. NASA Tech Briefs, July 1992. Volume 16, No. 7

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics include: New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  19. NASA Tech Briefs, March 1992. Volume 16, No. 3

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics include: New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  20. NASA Tech Briefs, September 1994. Volume 18, No. 9

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics: Sensors; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  1. 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.

  2. Science News of the Year.

    ERIC Educational Resources Information Center

    Science News, 1990

    1990-01-01

    This is a review of important science news stories of 1990 as reported in the pages of this journal. Areas covered include anthropology, astronomy, behavior, biology, biomedicine, chemistry, computers and math, earth sciences, environment, food science, materials science, paleobiology, physics, science and society, and space sciences. (CW)

  3. 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;

  4. LASER Tech Briefs, Winter 1994. Volume 2, No. 1

    NASA Technical Reports Server (NTRS)

    Schnirring, Bill (Editor)

    1994-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, Life Sciences, and Books and reports

  5. NASA Tech Briefs, May 1993. Volume 17, No. 5

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Advanced Composites and Plastics; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  6. NASA Tech Briefs, February 1992. Volume 16, No. 2

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics covered include: New Product Development; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  7. NASA Tech Briefs, July 1993. Volume 17, No. 7

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Data Acquisition and Analysis: Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  8. NASA Tech Briefs, June 1992. Volume 16, No. 6

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics covered include: New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  9. NASA Tech Briefs, December 1994. Volume 18, No. 12

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics: Test and Measurement; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports

  10. NASA Tech Briefs, January 1995. Volume 19, No. 1

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Topics include: Sensors; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports

  11. GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State and Statistical Physics of Materials

    NASA Astrophysics Data System (ADS)

    Eisenbach, Markus

    The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn-Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. We present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. Using the Cray XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code. This work has been sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Material Sciences and Engineering Division and by the Office of Advanced Scientific Computing. This work used resources of the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.

  12. NASA Tech Briefs, May 1991. Volume 15, No. 5

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  13. NASA Tech Briefs, January 1991. Volume 15, No. 1

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences;Life Sciences.

  14. NASA Tech Briefs, September 1991. Volume 15, No. 9

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  15. NASA Tech Briefs, June 1990. Volume 14, No. 6

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  16. NASA Tech Briefs, August 1991. Volume 15, No. 8

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  17. NASA Tech Briefs, February 1991. Volume 15, No. 2

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  18. NASA Tech Briefs, March 1991. Volume 15, No. 3

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  19. NASA Tech Briefs, December 1990. Volume 14, No. 12

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  20. NASA Tech Briefs, June 1991. Volume 15, No. 6

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  1. NASA Tech Briefs, September 1993. Volume 17, No. 9

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Microelectronics; 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.

  2. NASA Tech Briefs, May 1990. Volume 14, No. 5

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  3. NASA Tech Briefs, January 1994. Volume 18, No. 1

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics include: Communications Technology; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  4. NASA Tech Briefs, November 1994. Volume 18, No. 11

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics: Advanced Manufacturing; 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.

  5. NASA Tech Briefs, April 1991. Volume 15, No. 4

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  6. NASA Tech Briefs, October 1990. Volume 14, No. 10

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical' Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  7. NASA Tech Briefs, October 1991. Volume 15, No. 10

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  8. Issues in undergraduate education in computational science and high performance computing

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

    Marchioro, T.L. II; Martin, D.

    1994-12-31

    The ever increasing need for mathematical and computational literacy within their society and among members of the work force has generated enormous pressure to revise and improve the teaching of related subjects throughout the curriculum, particularly at the undergraduate level. The Calculus Reform movement is perhaps the best known example of an organized initiative in this regard. The UCES (Undergraduate Computational Engineering and Science) project, an effort funded by the Department of Energy and administered through the Ames Laboratory, is sponsoring an informal and open discussion of the salient issues confronting efforts to improve and expand the teaching of computationalmore » science as a problem oriented, interdisciplinary approach to scientific investigation. Although the format is open, the authors hope to consider pertinent questions such as: (1) How can faculty and research scientists obtain the recognition necessary to further excellence in teaching the mathematical and computational sciences? (2) What sort of educational resources--both hardware and software--are needed to teach computational science at the undergraduate level? Are traditional procedural languages sufficient? Are PCs enough? Are massively parallel platforms needed? (3) How can electronic educational materials be distributed in an efficient way? Can they be made interactive in nature? How should such materials be tied to the World Wide Web and the growing ``Information Superhighway``?« less

  9. VLab: A Science Gateway for Distributed First Principles Calculations in Heterogeneous High Performance Computing Systems

    ERIC Educational Resources Information Center

    da Silveira, Pedro Rodrigo Castro

    2014-01-01

    This thesis describes the development and deployment of a cyberinfrastructure for distributed high-throughput computations of materials properties at high pressures and/or temperatures--the Virtual Laboratory for Earth and Planetary Materials--VLab. VLab was developed to leverage the aggregated computational power of grid systems to solve…

  10. NASA Tech Briefs, September 1988. Volume 12, No. 8

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  11. NASA Tech Briefs, July/August 1988. Volume 12, No. 7

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  12. LASER Tech Briefs, Fall 1994. Volume 2, No. 4

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics in this issue of LASER Tech briefs include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences

  13. NASA Tech Briefs, October 1988. Volume 12, No. 9

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  14. NASA Tech Briefs, July 1991. Volume 15, No. 7

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  15. NASA Tech Briefs, March 1987. Volume 11, No. 3

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  16. NASA Tech Briefs, May 1987. Volume 11, No. 5

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  17. NASA Tech Briefs, October 1987. Volume 11, No. 9

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  18. NASA Tech Briefs, June 1989. Volume 13, No. 6

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  19. NASA Tech Briefs, February 1987. Volume 11, No. 2

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  20. NASA Tech Briefs, January 1987. Volume 11, No. 2

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  1. NASA Tech Briefs, July 1990. Volume 14, No. 7

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  2. NASA Tech Briefs, August 1990. Volume 14, No. 8

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics covered: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  3. NASA Tech Briefs, April 1987. Volume 11, No. 4

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  4. NASA Tech Briefs, September 1987. Volume 11, No. 8

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  5. NASA Tech Briefs, June 1994. Volume 18, No. 6

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics covered include: Microelectronics; 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

  6. NASA Tech Briefs, October 1996. Volume 20, No. 10

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics covered include: Sensors; 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.

  7. NASA Tech Briefs, June 1987. Volume 11, No. 6

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  8. NASA Tech Briefs, August 1989. Volume 13, No. 8

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics covered: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  9. Materials inspired by mathematics.

    PubMed

    Kotani, Motoko; Ikeda, Susumu

    2016-01-01

    Our world is transforming into an interacting system of the physical world and the digital world. What will be the materials science in the new era? With the rising expectations of the rapid development of computers, information science and mathematical science including statistics and probability theory, 'data-driven materials design' has become a common term. There is knowledge and experience gained in the physical world in the form of know-how and recipes for the creation of material. An important key is how we establish vocabulary and grammar to translate them into the language of the digital world. In this article, we outline how materials science develops when it encounters mathematics, showing some emerging directions.

  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. NASA Tech Briefs, February 1997. Volume 2, No. 2

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics include: Test and Measurement; 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

  12. NASA Tech Briefs, November 1988. Volume 12, No. 10

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics covered include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  13. NASA Tech Briefs, September/October 1986. Volume 10, No. 5

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  14. NASA Tech Briefs, November 1996. Volume 20, No. 11

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics covered: Video and Imaging; 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

  15. 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

  16. NASA Tech Briefs, May 1996. Volume 20, No. 5

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics include: Video and Imaging;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

  17. NASA Tech Briefs, November/December 1986. Volume 10, No. 6

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  18. NASA Tech Briefs, October 1993. Volume 17, No. 10

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Topics include: Sensors; esign 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.

  19. NASA Tech Briefs, May 1994. Volume 18, No. 5

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics covered include: Robotics/Automation; 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. NASA Tech Briefs, May/June 1986. Volume 10, No. 3

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Topics discussed include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  1. NASA Tech Briefs, September 1990. Volume 14, No. 9

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics covered include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  2. NASA Tech Briefs, November/December 1987. Volume 11, No. 10

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  3. NASA Tech Briefs, February 1994. Volume 18, No. 2

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics covered include: Test and Measurement; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports

  4. NASA Tech Briefs, March 1988. Volume 12, No. 3

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; and Life Sciences.

  5. NASA Tech Briefs, July 1996. Volume 20, No. 7

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics covered include: Mechanical Components; 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

  6. NASA Tech Briefs, July/August 1987. Volume 11, No. 7

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Topics include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Fabrication Technology; Machinery; Mathematics and Information Sciences; Life Sciences.

  7. NASA Tech Briefs, August 2010

    NASA Technical Reports Server (NTRS)

    2010-01-01

    Topics covered include: Technology Focus: Mechanical Components; Electronics/Computers; Software; Materials; Mechanics/Machinery; Manufacturing; Bio-Medical; Physical Sciences; Information Sciences; and Books and Reports.

  8. First Look--The Aerospace Database.

    ERIC Educational Resources Information Center

    Kavanagh, Stephen K.; Miller, Jay G.

    1986-01-01

    Presents overview prepared by producer of database newly available in 1985 that covers 10 subject categories: engineering, geosciences, chemistry and materials, space sciences, aeronautics, astronautics, mathematical and computer sciences, physics, social sciences, and life sciences. Database development, unique features, document delivery, sample…

  9. NASA Tech Briefs, April 1997. Volume 21, No. 4

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics covered include: Video and Imaging; 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.

  10. NASA Tech Briefs, March/April 1986. Volume 10, No. 2

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Topics covered include: NASA TU Services; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences.

  11. NASA Tech Briefs, October 1997. Volume 21, No. 10

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics covered include: Sensors/Imaging; Mechanical Components; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports.

  12. NASA Tech Briefs, January 1988. Volume 12, No. 1

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics covered include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; and Life Sciences.

  13. NASA Tech Briefs, April 1994. Volume 18, No. 4

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Topics covered: Advanced Composites and Plastics; 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.

  14. NASA Tech Briefs, August 1996. Volume 20, No. 8

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Topics covered include: Graphics and Simulation; 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

  15. An Atom Is Known by the Company It Keeps: A Constructionist Learning Environment for Materials Science Using Agent-Based Modeling

    ERIC Educational Resources Information Center

    Blikstein, Paulo; Wilensky, Uri

    2009-01-01

    This article reports on "MaterialSim", an undergraduate-level computational materials science set of constructionist activities which we have developed and tested in classrooms. We investigate: (a) the cognition of students engaging in scientific inquiry through interacting with simulations; (b) the effects of students programming simulations as…

  16. Solid State Cooling with Advanced Oxide Materials

    DTIC Science & Technology

    2014-06-03

    Department of Materials Science and Engineering , Department of Mechanical Science and Engineering , and Department of Electrical and Computer... Engineering University of Illinois, Urbana-Champaign Program Overview The focus of this program was to probe electro-(magneto-)caloric materials for... engineering systems by developing theoretical and experimental approaches to study thermodynamic properties and effects in thin film systems. Despite

  17. Large Scale Many-Body Perturbation Theory calculations: methodological developments, data collections, validation

    NASA Astrophysics Data System (ADS)

    Govoni, Marco; Galli, Giulia

    Green's function based many-body perturbation theory (MBPT) methods are well established approaches to compute quasiparticle energies and electronic lifetimes. However, their application to large systems - for instance to heterogeneous systems, nanostructured, disordered, and defective materials - has been hindered by high computational costs. We will discuss recent MBPT methodological developments leading to an efficient formulation of electron-electron and electron-phonon interactions, and that can be applied to systems with thousands of electrons. Results using a formulation that does not require the explicit calculation of virtual states, nor the storage and inversion of large dielectric matrices will be presented. We will discuss data collections obtained using the WEST code, the advantages of the algorithms used in WEST over standard techniques, and the parallel performance. Work done in collaboration with I. Hamada, R. McAvoy, P. Scherpelz, and H. Zheng. This work was supported by MICCoM, as part of the Computational Materials Sciences Program funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division and by ANL.

  18. NASA Tech Briefs, July 1997. Volume 21, No. 7

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics: Mechanical Components; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Life Sciences.

  19. NASA Tech Briefs, December 1991. Volume 15, No. 12

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences,

  20. Energy and technology review

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

    Quirk, W.J.; Canada, J.; de Vore, L.

    1994-04-01

    This issue highlights the Lawrence Livermore National Laboratory`s 1993 accomplishments in our mission areas and core programs: economic competitiveness, national security, energy, the environment, lasers, biology and biotechnology, engineering, physics, chemistry, materials science, computers and computing, and science and math education. Secondary topics include: nonproliferation, arms control, international security, environmental remediation, and waste management.

  1. 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…

  2. Computer-Based Imaginary Sciences and Research on Concept Acquisition.

    ERIC Educational Resources Information Center

    Allen, Brockenbrough S.

    To control for interactions in learning research due to subjects' prior knowledge of the instructional material presented, an imaginary curriculum was presented with a computer assisted technique based on Carl Berieter's imaginary science of Xenograde systems. The curriculum consisted of a classification system for ten conceptual classes of…

  3. PREFACE: International Conference on Applied Sciences 2015 (ICAS2015)

    NASA Astrophysics Data System (ADS)

    Lemle, Ludovic Dan; Jiang, Yiwen

    2016-02-01

    The International Conference on Applied Sciences ICAS2015 took place in Wuhan, China on June 3-5, 2015 at the Military Economics Academy of Wuhan. The conference is regularly organized, alternatively in Romania and in P.R. China, by Politehnica University of Timişoara, Romania, and Military Economics Academy of Wuhan, P.R. China, with the joint aims to serve as a platform for exchange of information between various areas of applied sciences, and to promote the communication between the scientists of different nations, countries and continents. The topics of the conference cover a comprehensive spectrum of issues from: >Economical Sciences and Defense: Management Sciences, Business Management, Financial Management, Logistics, Human Resources, Crisis Management, Risk Management, Quality Control, Analysis and Prediction, Government Expenditure, Computational Methods in Economics, Military Sciences, National Security, and others... >Fundamental Sciences and Engineering: Interdisciplinary applications of physics, Numerical approximation and analysis, Computational Methods in Engineering, Metallic Materials, Composite Materials, Metal Alloys, Metallurgy, Heat Transfer, Mechanical Engineering, Mechatronics, Reliability, Electrical Engineering, Circuits and Systems, Signal Processing, Software Engineering, Data Bases, Modeling and Simulation, and others... The conference gathered qualified researchers whose expertise can be used to develop new engineering knowledge that has applicability potential in Engineering, Economics, Defense, etc. The number of participants was 120 from 11 countries (China, Romania, Taiwan, Korea, Denmark, France, Italy, Spain, USA, Jamaica, and Bosnia and Herzegovina). During the three days of the conference four invited and 67 oral talks were delivered. Based on the work presented at the conference, 38 selected papers have been included in this volume of IOP Conference Series: Materials Science and Engineering. These papers present new research in the various fields of Materials Engineering, Mechanical Engineering, Computers Engineering, and Electrical Engineering. It's our great pleasure to present this volume of IOP Conference Series: Materials Science and Engineering to the scientific community to promote further research in these areas. We sincerely hope that the papers published in this volume will contribute to the advancement of knowledge in the respective fields.

  4. NASA Tech Briefs, November 1991. Volume 15, No. 11

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Topics include: Electronic Components & and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, and Mathematics and Information Sciences,

  5. The impact of computer-based versus "traditional" textbook science instruction on selected student learning outcomes

    NASA Astrophysics Data System (ADS)

    Rothman, Alan H.

    This study reports the results of research designed to examine the impact of computer-based science instruction on elementary school level students' science content achievement, their attitude about science learning, their level of critical thinking-inquiry skills, and their level of cognitive and English language development. The study compared these learning outcomes resulting from a computer-based approach compared to the learning outcomes from a traditional, textbook-based approach to science instruction. The computer-based approach was inherent in a curriculum titled The Voyage of the Mimi , published by The Bank Street College Project in Science and Mathematics (1984). The study sample included 209 fifth-grade students enrolled in three schools in a suburban school district. This sample was divided into three groups, each receiving one of the following instructional treatments: (a) Mixed-instruction primarily based on the use of a hardcopy textbook in conjunction with computer-based instructional materials as one component of the science course; (b) Non-Traditional, Technology-Based -instruction fully utilizing computer-based material; and (c) Traditional, Textbook-Based-instruction utilizing only the textbook as the basis for instruction. Pre-test, or pre-treatment, data related to each of the student learning outcomes was collected at the beginning of the school year and post-test data was collected at the end of the school year. Statistical analyses of pre-test data were used as a covariate to account for possible pre-existing differences with regard to the variables examined among the three student groups. This study concluded that non-traditional, computer-based instruction in science significantly improved students' attitudes toward science learning and their level of English language development. Non-significant, positive trends were found for the following student learning outcomes: overall science achievement and development of critical thinking-inquiry skills. These conclusions support the value of a non-traditional, computer-based approach to instruction, such as exemplified by The Voyage of the Mimi curriculum, and a recommendation for reform in science teaching that has recommended the use of computer technology to enhance learning outcomes from science instruction to assist in reversing the trend toward what has been perceived to be relatively poor science performance by American students, as documented by the 1996 Third International Mathematics and Science Study (TIMSS).

  6. NASA Tech Briefs, July/August 1986. Volume 10, No. 4

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Topic include: NASA TU Serv1ces; New Product Ideas; Electronic Components and Circuits; Electronic Systems; Materials; Computer Programs; Mechanics; Physical Sciences; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences. 3

  7. NASA Tech Briefs, May 1997. Volume 21, No. 5

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics covered include: Advanced Composites, Plastics and Metals; 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.

  8. SSMA Science Reviewers' Forecasts for the Future of Science Education.

    ERIC Educational Resources Information Center

    Jinks, Jerry; Hoffer, Terry

    1989-01-01

    Described is a study which was conducted as an exploratory assessment of science reviewers' perceptions for the future of science education. Arrives at interpretations for identified categories of computers and high technology, science curriculum, teacher education, training, certification, standards, teaching methods, and materials. (RT)

  9. Integrated computational materials engineering: Tools, simulations and new applications

    DOE PAGES

    Madison, Jonathan D.

    2016-03-30

    Here, Integrated Computational Materials Engineering (ICME) is a relatively new methodology full of tremendous potential to revolutionize how science, engineering and manufacturing work together. ICME was motivated by the desire to derive greater understanding throughout each portion of the development life cycle of materials, while simultaneously reducing the time between discovery to implementation [1,2].

  10. Materials inspired by mathematics

    PubMed Central

    Kotani, Motoko; Ikeda, Susumu

    2016-01-01

    Abstract Our world is transforming into an interacting system of the physical world and the digital world. What will be the materials science in the new era? With the rising expectations of the rapid development of computers, information science and mathematical science including statistics and probability theory, ‘data-driven materials design’ has become a common term. There is knowledge and experience gained in the physical world in the form of know-how and recipes for the creation of material. An important key is how we establish vocabulary and grammar to translate them into the language of the digital world. In this article, we outline how materials science develops when it encounters mathematics, showing some emerging directions. PMID:27877877

  11. [ICASE Semiannual Report

    NASA Technical Reports Server (NTRS)

    Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    This report summarizes research conducted at ICASE in applied mathematics, fluid mechanics, computer science, and structures and material sciences during the period October 1, 2001 through March 31, 2002.

  12. [Activities of ICASE}

    NASA Technical Reports Server (NTRS)

    Bushnell, Dennis M. (Technical Monitor)

    2001-01-01

    This report summarizes research conducted at ICASE in applied mathematics, computer science, fluid mechanics, and structures and material sciences during the period October 1, 2000 through March 31, 2001.

  13. [Activities of ICASE

    NASA Technical Reports Server (NTRS)

    Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    This report summarizes research conducted at ICASE in applied mathematics, computer science, fluid mechanics, and structures and material sciences during the period April 1, 2001 through September 30, 2001.

  14. JPRS report. Science and technology: Europe and Latin America

    NASA Astrophysics Data System (ADS)

    1987-12-01

    Topics addressed include: advanced materials; aerospace; civil aviation; automative industry; biotechnology; computers; metallurgical industries; microelectronics; science and technology policy; and lasers, sensor, and optics.

  15. NASA Tech Briefs, June 1995. Volume 19, No. 6

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Topics include: communications technology, electronic components and circuits, electronic systems, physical sciences, materials, computer programs, mechanics, machinery, manufacturing/fabrication, mathematics and information sciences, life sciences, books and reports, a special section of laser Tech Briefs.

  16. Enabling Wide-Scale Computer Science Education through Improved Automated Assessment Tools

    NASA Astrophysics Data System (ADS)

    Boe, Bryce A.

    There is a proliferating demand for newly trained computer scientists as the number of computer science related jobs continues to increase. University programs will only be able to train enough new computer scientists to meet this demand when two things happen: when there are more primary and secondary school students interested in computer science, and when university departments have the resources to handle the resulting increase in enrollment. To meet these goals, significant effort is being made to both incorporate computational thinking into existing primary school education, and to support larger university computer science class sizes. We contribute to this effort through the creation and use of improved automated assessment tools. To enable wide-scale computer science education we do two things. First, we create a framework called Hairball to support the static analysis of Scratch programs targeted for fourth, fifth, and sixth grade students. Scratch is a popular building-block language utilized to pique interest in and teach the basics of computer science. We observe that Hairball allows for rapid curriculum alterations and thus contributes to wide-scale deployment of computer science curriculum. Second, we create a real-time feedback and assessment system utilized in university computer science classes to provide better feedback to students while reducing assessment time. Insights from our analysis of student submission data show that modifications to the system configuration support the way students learn and progress through course material, making it possible for instructors to tailor assignments to optimize learning in growing computer science classes.

  17. 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)…

  18. 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…

  19. NASA Tech Briefs, January 1998. Volume 22, No. 1

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Topics: Sensors/Data Acquisition; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Life Sciences; Books and Reports.

  20. NASA Tech Briefs, January 1997. Volume 21, No. 1

    NASA Technical Reports Server (NTRS)

    1997-01-01

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

  1. NASA Tech Briefs, April 1992. Volume 16, No. 4

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Topics covered include: New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences.

  2. Proceedings of the 2013 International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering - M and C 2013

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

    NONE

    2013-07-01

    The Mathematics and Computation Division of the American Nuclear (ANS) and the Idaho Section of the ANS hosted the 2013 International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering (M and C 2013). This proceedings contains over 250 full papers with topics ranging from reactor physics; radiation transport; materials science; nuclear fuels; core performance and optimization; reactor systems and safety; fluid dynamics; medical applications; analytical and numerical methods; algorithms for advanced architectures; and validation verification, and uncertainty quantification.

  3. NASA Tech Briefs, February 1989. Volume 13, No. 2

    NASA Technical Reports Server (NTRS)

    1989-01-01

    This issue contains a special feature on shaping the future with Ceramics. Other topics include: Electronic Components & and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences,

  4. 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.

  5. NASA Tech Briefs, May 1988. Volume 12, No. 5

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics : New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics ; Machinery; Fabrication Technology; Mathematics and Information Sciences.

  6. NASA Tech Briefs, November 1990. Volume 14, No. 11

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences.

  7. NASA Tech Briefs, April 1990. Volume 14, No. 4

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Topics: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences.

  8. NASA Tech Briefs, September 1997. Volume 21, No. 9

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics include: Data Acquisition and Analysis; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences.

  9. The Computer Literacy Act, H.R. 3750 and The National Educational Software Act, H.R. 4628. Hearing before the Subcommittee on Science, Research and Technology of the Committee on Science and Technology, House of Representatives, Ninety-Eighth Congress, Second Session, June 5, 1984. No. 107.

    ERIC Educational Resources Information Center

    Congress of the U.S., Washington, DC. House Committee on Science and Technology.

    This legislative report offers testimony and related materials concerning two bills that address the issues of the computer in the classroom as an educational tool, access to computers, teacher training, and software development through the establishment of a National Computer Educational Software Corporation. Testimony of the following witnesses…

  10. NASA Tech Briefs, June 1988. Volume 12, No. 6

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics covered: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences.

  11. 75 FR 75963 - Export Trade Certificate of Review

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-07

    ... location). The controlling entity remains the Carlyle Group, Washington, DC; Computer Sciences Corporation..., Littleton, CO; RTI International Materials Inc., has moved from Niles, OH, to Pittsburgh, PA; Science...

  12. Advances in engineering science, volume 2

    NASA Technical Reports Server (NTRS)

    1976-01-01

    Papers are presented dealing with structural dynamics; structural synthesis; and the nonlinear analysis of structures, structural members, and composite structures and materials. Applications of mathematics and computer science are included.

  13. NASA Tech Briefs, April 1988. Volume 12, No. 4

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences.

  14. NASA Tech Briefs, July 1989. Volume 13, No. 7

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Topics include New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials;;Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences.

  15. Large-Scale Calculations for Material Sciences Using Accelerators to Improve Time- and Energy-to-Solution

    DOE PAGES

    Eisenbach, Markus

    2017-01-01

    A major impediment to deploying next-generation high-performance computational systems is the required electrical power, often measured in units of megawatts. The solution to this problem is driving the introduction of novel machine architectures, such as those employing many-core processors and specialized accelerators. In this article, we describe the use of a hybrid accelerated architecture to achieve both reduced time to solution and the associated reduction in the electrical cost for a state-of-the-art materials science computation.

  16. Journal of Undergraduate Research, Volume VIII, 2008

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

    Stiner, K. S.; Graham, S.; Khan, M.

    Th e Journal of Undergraduate Research (JUR) provides undergraduate interns the opportunity to publish their scientific innovation and to share their passion for education and research with fellow students and scientists. Fields in which these students worked include: Biology; Chemistry; Computer Science; Engineering; Environmental Science; General Sciences; Materials Sciences; Medical and Health Sciences; Nuclear Sciences; Physics; Science Policy; and Waste Management.

  17. LASER Tech Briefs, September 1993. Volume 1, No. 1

    NASA Technical Reports Server (NTRS)

    Schnirring, Bill (Editor)

    1993-01-01

    This edition of LASER Tech briefs contains a feature on photonics. The other topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, Life Sciences and books and reports.

  18. 1976 annual summary report

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

    Not Available

    1978-03-01

    Abstracts of papers published during the previous calendar year, arranged in accordance with the project titles used in the USDOE Schedule 189 Budget Proposals, are presented. The collection of abstracts supplements the listing of papers published in the Schedule 189. The following subject areas are represented: high-energy physics; nuclear physics; basic energy sciences (nuclear science, materials sciences, solid state physics, materials chemistry); molecular, mathematical, and earth sciences (fundamental interactions, processes and techniques, mathematical and computer sciences); environmental research and development; physical and technological studies (characterization, measurement and monitoring); and nuclear research and applications.

  19. Computational Science at the Argonne Leadership Computing Facility

    NASA Astrophysics Data System (ADS)

    Romero, Nichols

    2014-03-01

    The goal of the Argonne Leadership Computing Facility (ALCF) is to extend the frontiers of science by solving problems that require innovative approaches and the largest-scale computing systems. ALCF's most powerful computer - Mira, an IBM Blue Gene/Q system - has nearly one million cores. How does one program such systems? What software tools are available? Which scientific and engineering applications are able to utilize such levels of parallelism? This talk will address these questions and describe a sampling of projects that are using ALCF systems in their research, including ones in nanoscience, materials science, and chemistry. Finally, the ways to gain access to ALCF resources will be presented. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357.

  20. Report of the Defense Science Board Task Force on University Responsiveness to National Security Requirements.

    DTIC Science & Technology

    1982-01-01

    R.ugustine Chairman iv OFFICE OF THE SECRETARY OF DEFENSE WASHINGTON, D.C. 20301 27 January 1982 DEFENSE SCIENCIE BOARD Mr. Norman R. Augustine Chai rman...Institute of Technology Dr. Norman Hackerman President Rice University Dr. Richard L. Haley Assistant Deputy Science and Technology USA Material ...Biological and Medical Sciences 51.8 67.8 22% Materials 53.2 65.1 13% Chemistry 47.8 60.1 17% Math and Computer Sciences 44.2 53.6 12% Oceanography 43.2

  1. NASA Tech Briefs, September 1996. Volume 20, No. 9

    NASA Technical Reports Server (NTRS)

    1996-01-01

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

  2. Materials science: Chemistry and physics happily wed

    NASA Astrophysics Data System (ADS)

    Fiete, Gregory A.

    2017-07-01

    A major advance in the quantum theory of solids allows materials to be identified whose electronic states have a non-trivial topology. Such materials could have many computing and electronics applications. See Article p.298

  3. NASA Tech Briefs, August 1995. Volume 19, No. 8

    NASA Technical Reports Server (NTRS)

    1995-01-01

    There is a special focus on computer graphics and simulation in this issue. Topics covered include : Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer programs, Mechanics; Machinery; Fabrication Technology; and Mathematics and Information Sciences. There is a section on for Laser Technology, which includes a feature on Moving closer to the suns power.

  4. Impact of Giving Students a Choice of Homework Assignments in an Introductory Computer Science Class

    ERIC Educational Resources Information Center

    Fulton, Steven; Schweitzer, Dino

    2011-01-01

    Student assignments have long been an integral part of many university level computer science courses to reinforce material covered in class with practical exercises. For years, researchers have studied ways to improve such student assignments by making them more interesting, applicable, and valuable to the student with a goal of improving…

  5. Oak Ridge National Laboratory Core Competencies

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

    Roberto, J.B.; Anderson, T.D.; Berven, B.A.

    1994-12-01

    A core competency is a distinguishing integration of capabilities which enables an organization to deliver mission results. Core competencies represent the collective learning of an organization and provide the capacity to perform present and future missions. Core competencies are distinguishing characteristics which offer comparative advantage and are difficult to reproduce. They exhibit customer focus, mission relevance, and vertical integration from research through applications. They are demonstrable by metrics such as level of investment, uniqueness of facilities and expertise, and national impact. The Oak Ridge National Laboratory (ORNL) has identified four core competencies which satisfy the above criteria. Each core competencymore » represents an annual investment of at least $100M and is characterized by an integration of Laboratory technical foundations in physical, chemical, and materials sciences; biological, environmental, and social sciences; engineering sciences; and computational sciences and informatics. The ability to integrate broad technical foundations to develop and sustain core competencies in support of national R&D goals is a distinguishing strength of the national laboratories. The ORNL core competencies are: 9 Energy Production and End-Use Technologies o Biological and Environmental Sciences and Technology o Advanced Materials Synthesis, Processing, and Characterization & Neutron-Based Science and Technology. The distinguishing characteristics of each ORNL core competency are described. In addition, written material is provided for two emerging competencies: Manufacturing Technologies and Computational Science and Advanced Computing. Distinguishing institutional competencies in the Development and Operation of National Research Facilities, R&D Integration and Partnerships, Technology Transfer, and Science Education are also described. Finally, financial data for the ORNL core competencies are summarized in the appendices.« less

  6. Impact of Interdisciplinary Undergraduate Research in Mathematics and Biology on the Development of a New Course Integrating Five STEM Disciplines

    PubMed Central

    Caudill, Lester; Hill, April; Lipan, Ovidiu

    2010-01-01

    Funded by innovative programs at the National Science Foundation and the Howard Hughes Medical Institute, University of Richmond faculty in biology, chemistry, mathematics, physics, and computer science teamed up to offer first- and second-year students the opportunity to contribute to vibrant, interdisciplinary research projects. The result was not only good science but also good science that motivated and informed course development. Here, we describe four recent undergraduate research projects involving students and faculty in biology, physics, mathematics, and computer science and how each contributed in significant ways to the conception and implementation of our new Integrated Quantitative Science course, a course for first-year students that integrates the material in the first course of the major in each of biology, chemistry, mathematics, computer science, and physics. PMID:20810953

  7. Impact of Interdisciplinary Undergraduate Research in mathematics and biology on the development of a new course integrating five STEM disciplines.

    PubMed

    Caudill, Lester; Hill, April; Hoke, Kathy; Lipan, Ovidiu

    2010-01-01

    Funded by innovative programs at the National Science Foundation and the Howard Hughes Medical Institute, University of Richmond faculty in biology, chemistry, mathematics, physics, and computer science teamed up to offer first- and second-year students the opportunity to contribute to vibrant, interdisciplinary research projects. The result was not only good science but also good science that motivated and informed course development. Here, we describe four recent undergraduate research projects involving students and faculty in biology, physics, mathematics, and computer science and how each contributed in significant ways to the conception and implementation of our new Integrated Quantitative Science course, a course for first-year students that integrates the material in the first course of the major in each of biology, chemistry, mathematics, computer science, and physics.

  8. NASA Tech Briefs, August 1997. Volume 21, No. 8

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics:Graphics and Simulation; Mechanical Components; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Books and Reports.

  9. NASA Tech Briefs, August 2002. Volume 26, No. 8

    NASA Technical Reports Server (NTRS)

    2002-01-01

    Topics include: a technology focus on computers, electronic components and systems, software, materials, mechanics, machinery/automation, manufacturing, physical sciences, information sciences, book and reports, and Motion control Tech Briefs.

  10. Science Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1990

    1990-01-01

    Included are 30 science activities that include computer monitoring, fieldwork, enzyme activity, pH, drugs, calorimeters, Raoult's Law, food content, solubility, electrochemistry, titration, physical properties of materials, gel filtration, energy, concepts in physics, and electricity. (KR)

  11. Learning Science in Grades 3 8 Using Probeware and Computers: Findings from the TEEMSS II Project

    NASA Astrophysics Data System (ADS)

    Zucker, Andrew A.; Tinker, Robert; Staudt, Carolyn; Mansfield, Amie; Metcalf, Shari

    2008-02-01

    The Technology Enhanced Elementary and Middle School Science II project (TEEMSS), funded by the National Science Foundation, produced 15 inquiry-based instructional science units for teaching in grades 3-8. Each unit uses computers and probeware to support students' investigations of real-world phenomena using probes (e.g., for temperature or pressure) or, in one case, virtual environments based on mathematical models. TEEMSS units were used in more than 100 classrooms by over 60 teachers and thousands of students. This paper reports on cases in which groups of teachers taught science topics without TEEMSS materials in school year 2004-2005 and then the same teachers taught those topics using TEEMSS materials in 2005-2006. There are eight TEEMSS units for which such comparison data are available. Students showed significant learning gains for all eight. In four cases (sound and electricity, both for grades 3-4; temperature, grades 5-6; and motion, grades 7-8) there were significant differences in science learning favoring the students who used the TEEMSS materials. The effect sizes are 0.58, 0.94, 1.54, and 0.49, respectively. For the other four units there were no significant differences in science learning between TEEMSS and non-TEEMSS students. We discuss the implications of these results for science education.

  12. Technology. The Hot Cup Caper. Probing for Scientific Knowledge.

    ERIC Educational Resources Information Center

    Ramondetta, June

    1994-01-01

    Students can explore temperature and heat conductivity by examining materials that make good cups for hot cocoa. Using temperature probes from computer-based science packages, students can measure gradual change in the liquid's temperature, watch as data are plotted on the computer, and explain why they chose a specific material. (SM)

  13. Theory, Modeling, Software and Hardware Development for Analytical and Computational Materials Science

    NASA Technical Reports Server (NTRS)

    Young, Gerald W.; Clemons, Curtis B.

    2004-01-01

    The focus of this Cooperative Agreement between the Computational Materials Laboratory (CML) of the Processing Science and Technology Branch of the NASA Glenn Research Center (GRC) and the Department of Theoretical and Applied Mathematics at The University of Akron was in the areas of system development of the CML workstation environment, modeling of microgravity and earth-based material processing systems, and joint activities in laboratory projects. These efforts complement each other as the majority of the modeling work involves numerical computations to support laboratory investigations. Coordination and interaction between the modelers, system analysts, and laboratory personnel are essential toward providing the most effective simulations and communication of the simulation results. Toward these means, The University of Akron personnel involved in the agreement worked at the Applied Mathematics Research Laboratory (AMRL) in the Department of Theoretical and Applied Mathematics while maintaining a close relationship with the personnel of the Computational Materials Laboratory at GRC. Network communication between both sites has been established. A summary of the projects we undertook during the time period 9/1/03 - 6/30/04 is included.

  14. NASA Tech Briefs, April 1989. Volume 13, No. 4

    NASA Technical Reports Server (NTRS)

    1989-01-01

    A special feature of this issue is an article about the evolution of high technology in Texas. Topics include: Electronic Components & and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences.

  15. The Center for Nanophase Materials Sciences

    NASA Astrophysics Data System (ADS)

    Lowndes, Douglas

    2005-03-01

    The Center for Nanophase Materials Sciences (CNMS) located at Oak Ridge National Laboratory (ORNL) will be the first DOE Nanoscale Science Research Center to begin operation, with construction to be completed in April 2005 and initial operations in October 2005. The CNMS' scientific program has been developed through workshops with the national community, with the goal of creating a highly collaborative research environment to accelerate discovery and drive technological advances. Research at the CNMS is organized under seven Scientific Themes selected to address challenges to understanding and to exploit particular ORNL strengths (see http://cnms.ornl.govhttp://cnms.ornl.gov). These include extensive synthesis and characterization capabilities for soft, hard, nanostructured, magnetic and catalytic materials and their composites; neutron scattering at the Spallation Neutron Source and High Flux Isotope Reactor; computational nanoscience in the CNMS' Nanomaterials Theory Institute and utilizing facilities and expertise of the Center for Computational Sciences and the new Leadership Scientific Computing Facility at ORNL; a new CNMS Nanofabrication Research Laboratory; and a suite of unique and state-of-the-art instruments to be made reliably available to the national community for imaging, manipulation, and properties measurements on nanoscale materials in controlled environments. The new research facilities will be described together with the planned operation of the user research program, the latter illustrated by the current ``jump start'' user program that utilizes existing ORNL/CNMS facilities.

  16. 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.

  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. Journal of Undergraduate Research, Volume VI, 2006

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

    Faletra, P.; Schuetz, A.; Cherkerzian, D.

    Students who conducted research at DOE National Laboratories during 2005 were invited to include their research abstracts, and for a select few, their completed research papers in this Journal. This Journal is direct evidence of students collaborating with their mentors. Fields in which these students worked include: Biology; Chemistry; Computer Science; Engineering; Environmental Science; General Sciences; Materials Sciences; Medical and Health Sciences; Nuclear Sciences; Physics; and Science Policy.

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

    NASA Astrophysics Data System (ADS)

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

    2017-04-01

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

  20. 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)

  1. NASA Tech Briefs, February 1988. Volume 12, No. 2

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Topics covered include: New Product Ideas; NASA TU Services; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Systems; and Life Sciences.

  2. NASA Tech Briefs, April 2000. Volume 24, No. 4

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics covered include: Imaging/Video/Display Technology; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Bio-Medical; Test and Measurement; Mathematics and Information Sciences; Books and Reports.

  3. Mathematics and Statistics Research Department progress report, period ending June 30, 1982

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

    Denson, M.V.; Funderlic, R.E.; Gosslee, D.G.

    1982-08-01

    This report is the twenty-fifth in the series of progress reports of the Mathematics and Statistics Research Department of the Computer Sciences Division, Union Carbide Corporation Nuclear Division (UCC-ND). Part A records research progress in analysis of large data sets, biometrics research, computational statistics, materials science applications, moving boundary problems, numerical linear algebra, and risk analysis. Collaboration and consulting with others throughout the UCC-ND complex are recorded in Part B. Included are sections on biology, chemistry, energy, engineering, environmental sciences, health and safety, materials science, safeguards, surveys, and the waste storage program. Part C summarizes the various educational activities inmore » which the staff was engaged. Part D lists the presentations of research results, and Part E records the staff's other professional activities during the report period.« less

  4. NASA Tech Briefs, March 1989. Volume 13, No. 3

    NASA Technical Reports Server (NTRS)

    1989-01-01

    This issue's special features cover the NASA inventor of the year, and the other nominees for the year. Other Topics include: Electronic Components & and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, Mathematics and Information Sciences, and Life Sciences

  5. 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…

  6. 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…

  7. The Unified English Braille Code: Examination by Science, Mathematics, and Computer Science Technical Expert Braille Readers

    ERIC Educational Resources Information Center

    Holbrook, M. Cay; MacCuspie, P. Ann

    2010-01-01

    Braille-reading mathematicians, scientists, and computer scientists were asked to examine the usability of the Unified English Braille Code (UEB) for technical materials. They had little knowledge of the code prior to the study. The research included two reading tasks, a short tutorial about UEB, and a focus group. The results indicated that the…

  8. 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.

  9. Climate Modeling Computing Needs Assessment

    NASA Astrophysics Data System (ADS)

    Petraska, K. E.; McCabe, J. D.

    2011-12-01

    This paper discusses early findings of an assessment of computing needs for NASA science, engineering and flight communities. The purpose of this assessment is to document a comprehensive set of computing needs that will allow us to better evaluate whether our computing assets are adequately structured to meet evolving demand. The early results are interesting, already pointing out improvements we can make today to get more out of the computing capacity we have, as well as potential game changing innovations for the future in how we apply information technology to science computing. Our objective is to learn how to leverage our resources in the best way possible to do more science for less money. Our approach in this assessment is threefold: Development of use case studies for science workflows; Creating a taxonomy and structure for describing science computing requirements; and characterizing agency computing, analysis, and visualization resources. As projects evolve, science data sets increase in a number of ways: in size, scope, timelines, complexity, and fidelity. Generating, processing, moving, and analyzing these data sets places distinct and discernable requirements on underlying computing, analysis, storage, and visualization systems. The initial focus group for this assessment is the Earth Science modeling community within NASA's Science Mission Directorate (SMD). As the assessment evolves, this focus will expand to other science communities across the agency. We will discuss our use cases, our framework for requirements and our characterizations, as well as our interview process, what we learned and how we plan to improve our materials after using them in the first round of interviews in the Earth Science Modeling community. We will describe our plans for how to expand this assessment, first into the Earth Science data analysis and remote sensing communities, and then throughout the full community of science, engineering and flight at NASA.

  10. Flexible 2D RF Nanoelectronics based on Layered Semiconductor Transistor (NBIT III)

    DTIC Science & Technology

    2016-11-11

    Experimental and computational studies in multidisciplinary fields of electrical, mechanical engineering , and materials science were conducted to achieve...plan for this project. Experimental and computational studies in multidisciplinary fields of electrical, mechanical engineering , and materials...electrostatic or physisorption gating, defect engineering , and substitutional doping during the growth. These methods result in uniform doping or composition

  11. The Effects of Computer-Assisted Material on Students' Cognitive Levels, Misconceptions and Attitudes Towards Science

    ERIC Educational Resources Information Center

    Cepni, Salih; Tas, Erol; Kose, Sacit

    2006-01-01

    The purpose of this study was to investigate the effects of a Computer-Assisted Instruction Material (CAIM) related to "photosynthesis" topic on student cognitive development, misconceptions and attitudes. The study conducted in 2002-2003 academic year and was carried out in two different classes taught by the same teacher, in which…

  12. The iPlant Collaborative: Cyberinfrastructure for Enabling Data to Discovery for the Life Sciences.

    PubMed

    Merchant, Nirav; Lyons, Eric; Goff, Stephen; Vaughn, Matthew; Ware, Doreen; Micklos, David; Antin, Parker

    2016-01-01

    The iPlant Collaborative provides life science research communities access to comprehensive, scalable, and cohesive computational infrastructure for data management; identity management; collaboration tools; and cloud, high-performance, high-throughput computing. iPlant provides training, learning material, and best practice resources to help all researchers make the best use of their data, expand their computational skill set, and effectively manage their data and computation when working as distributed teams. iPlant's platform permits researchers to easily deposit and share their data and deploy new computational tools and analysis workflows, allowing the broader community to easily use and reuse those data and computational analyses.

  13. NASA/DoD Aerospace Knowledge Diffusion Research Project. Report Number 19. The U. S. Government Technical Report and the Transfer of Federally Funded Aerospace R&D: An Analysis of Five Studies

    DTIC Science & Technology

    1994-01-01

    defined etymologically , according to report content and method (U.S. Department of Defense, 1964); behaviorally, according to the influence on the reader...SCIENCES 2 ASTRONAUTICS 7 MATERIALS & CHEMISTRY 3 ENGINEERING 8 PHYSICS 4 GEOSCIENCES 9 SPACE SCIENCES 5 LIFE SCIENCES 10 OTHER (specify) 63. IsANYof...YOUR work? (Circle ONLY one number) I AERONAUTICS 6 MATHEMATICAL & COMPUTER SCIENCES 2 ASTRONAUTICS 7 MATERIALS & CHEMISTRY 3 ENGINEERING 8 PHYSICS 4

  14. NASA Tech Briefs, January 1996. Volume 20, No. 1

    NASA Technical Reports Server (NTRS)

    1996-01-01

    This issue has a special focus on sensors, and include articles on Electronic Components and Circuits, Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery/Automation, Manufacturing/Fabrication, and Mathematics and Information Sciences

  15. Commonwealth of Independent States aerospace science and technology, 1992: A bibliography with indexes

    NASA Technical Reports Server (NTRS)

    1993-01-01

    This bibliography contains 1237 annotated references to reports and journal articles of Commonwealth of Independent States (CIS) intellectual origin entered into the NASA Scientific and Technical Information System during 1992. Representative subject areas include the following: aeronautics, astronautics, chemistry and materials, engineering, geosciences, life sciences, mathematical and computer sciences, physics, social sciences, and space sciences.

  16. Laboratory Directed Research and Development Annual Report for 2011

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

    Hughes, Pamela J.

    2012-04-09

    This report documents progress made on all LDRD-funded projects during fiscal year 2011. The following topics are discussed: (1) Advanced sensors and instrumentation; (2) Biological Sciences; (3) Chemistry; (4) Earth and space sciences; (5) Energy supply and use; (6) Engineering and manufacturing processes; (7) Materials science and technology; (8) Mathematics and computing sciences; (9) Nuclear science and engineering; and (10) Physics.

  17. Nontrivial, Nonintelligent, Computer-Based Learning.

    ERIC Educational Resources Information Center

    Bork, Alfred

    1987-01-01

    This paper describes three interactive computer programs used with personal computers to present science learning modules for all ages. Developed by groups of teachers at the Educational Technology Center at the University of California, Irvine, these instructional materials do not use the techniques of contemporary artificial intelligence. (GDC)

  18. Computational Skills for Biology Students

    ERIC Educational Resources Information Center

    Gross, Louis J.

    2008-01-01

    This interview with Distinguished Science Award recipient Louis J. Gross highlights essential computational skills for modern biology, including: (1) teaching concepts listed in the Math & Bio 2010 report; (2) illustrating to students that jobs today require quantitative skills; and (3) resources and materials that focus on computational skills.

  19. FY 1999 Laboratory Directed Research and Development annual report

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

    PJ Hughes

    2000-06-13

    A short synopsis of each project is given covering the following main areas of research and development: Atmospheric sciences; Biotechnology; Chemical and instrumentation analysis; Computer and information science; Design and manufacture engineering; Ecological science; Electronics and sensors; Experimental technology; Health protection and dosimetry; Hydrologic and geologic science; Marine sciences; Materials science; Nuclear science and engineering; Process science and engineering; Sociotechnical systems analysis; Statistics and applied mathematics; and Thermal and energy systems.

  20. 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

  1. BASIC Simulation Programs; Volumes I and II. Biology, Earth Science, Chemistry.

    ERIC Educational Resources Information Center

    Digital Equipment Corp., Maynard, MA.

    Computer programs which teach concepts and processes related to biology, earth science, and chemistry are presented. The seven biology problems deal with aspects of genetics, evolution and natural selection, gametogenesis, enzymes, photosynthesis, and the transport of material across a membrane. Four earth science problems concern climates, the…

  2. 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.

  3. Recent advances in engineering science; Proceedings of the A. Cemal Eringen Symposium, University of California, Berkeley, June 20-22, 1988

    NASA Technical Reports Server (NTRS)

    Koh, Severino L. (Editor); Speziale, Charles G. (Editor)

    1989-01-01

    Various papers on recent advances in engineering science are presented. Some individual topics addressed include: advances in adaptive methods in computational fluid mechanics, mixtures of two medicomorphic materials, computer tests of rubber elasticity, shear bands in isotropic micropolar elastic materials, nonlinear surface wave and resonator effects in magnetostrictive crystals, simulation of electrically enhanced fibrous filtration, plasticity theory of granular materials, dynamics of viscoelastic media with internal oscillators, postcritical behavior of a cantilever bar, boundary value problems in nonlocal elasticity, stability of flexible structures with random parameters, electromagnetic tornadoes in earth's ionosphere and magnetosphere, helicity fluctuations and the energy cascade in turbulence, mechanics of interfacial zones in bonded materials, propagation of a normal shock in a varying area duct, analytical mechanics of fracture and fatigue.

  4. 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

  5. A Blended Approach to Learning: Added Value and Lessons Learnt from Students' Use of Computer-Based Materials for Neurological Analysis

    ERIC Educational Resources Information Center

    Davies, Alison; Ramsay, Jill; Lindfield, Helen; Couperthwaite, John

    2005-01-01

    This paper examines BSc Physiotherapy students' experiences of developing their neurological observational and analytical skills using a blend of traditional classroom activities and computer-based materials at the University of Birmingham. New teaching and learning resources were developed and supported in the School of Health Sciences using Web…

  6. Teacher Perceptions of the Integration of Laptop Computers in Their High School Biology Classrooms

    NASA Astrophysics Data System (ADS)

    Gundy, Morag S.

    2011-12-01

    Studies indicate that teachers, and in particular science teachers in the senior high school grades, do not integrate laptop computers into their instruction to the extent anticipated by researchers. This technology has not spread easily to other teachers even with improved access to hardware and software, increased support, and a paradigm shift from teacher-centred to student-centred education. Although a number of studies have focused on the issues and problems related to the integration of laptops in classroom instruction, these studies, largely quantitative in nature, have tended to bypass the role teachers play in integrating laptop computers into their instruction. This thesis documents and describes the role of Ontario high school science teachers in the integration of laptop computers in the classroom. Ten teachers who have successfully integrated laptop computers into their biology courses participated in this descriptive study. Their perceptions of implementing laptops into their biology courses, key factors about the implementation process, and how the implementation was accomplished are examined. The study also identifies the conditions which they feel would allow this innovation to be implemented by other teachers. Key findings of the study indicate that teachers must initiate, implement and sustain an emergent and still evolving innovation; teacher perceptions change and continue to change with increased experience using laptops in the science classroom; changes in teaching approaches are significant as a result of the introduction of laptop technology; and, the teachers considered the acquisition and use of new teaching materials to be an important aspect of integrating laptop computers into instruction. Ongoing challenges for appropriate professional development, sharing of knowledge, skills and teaching materials are identified. The study provides a body of practical knowledge for biology teachers who are considering the integration of laptops into their instruction. The results are of interest to science teachers, those whose decisions affect the meaningful integration of technology in science education, those researching the teaching of science in secondary schools and those who prepare science graduates to teach at this level. Key Words: innovation, laptop, computer, biology, science, secondary, implementation, perceptions, instruction, professional development, qualitative, descriptive.

  7. Computational Challenges in the Analysis of Petrophysics Using Microtomography and Upscaling

    NASA Astrophysics Data System (ADS)

    Liu, J.; Pereira, G.; Freij-Ayoub, R.; Regenauer-Lieb, K.

    2014-12-01

    Microtomography provides detailed 3D internal structures of rocks in micro- to tens of nano-meter resolution and is quickly turning into a new technology for studying petrophysical properties of materials. An important step is the upscaling of these properties as micron or sub-micron resolution can only be done on the sample-scale of millimeters or even less than a millimeter. We present here a recently developed computational workflow for the analysis of microstructures including the upscaling of material properties. Computations of properties are first performed using conventional material science simulations at micro to nano-scale. The subsequent upscaling of these properties is done by a novel renormalization procedure based on percolation theory. We have tested the workflow using different rock samples, biological and food science materials. We have also applied the technique on high-resolution time-lapse synchrotron CT scans. In this contribution we focus on the computational challenges that arise from the big data problem of analyzing petrophysical properties and its subsequent upscaling. We discuss the following challenges: 1) Characterization of microtomography for extremely large data sets - our current capability. 2) Computational fluid dynamics simulations at pore-scale for permeability estimation - methods, computing cost and accuracy. 3) Solid mechanical computations at pore-scale for estimating elasto-plastic properties - computational stability, cost, and efficiency. 4) Extracting critical exponents from derivative models for scaling laws - models, finite element meshing, and accuracy. Significant progress in each of these challenges is necessary to transform microtomography from the current research problem into a robust computational big data tool for multi-scale scientific and engineering problems.

  8. Navy Manpower Planning and Programming: Basis for Systems Examination

    DTIC Science & Technology

    1974-10-01

    IRE5EARCH AND DEVEl. INAVAL RESEARCH] CHIEF OF NAVAL OPERATIONS OFFICE CHIIf OF NAVAL OPERATIONS NAVAL MATERIAL COMMAND •LitMARTERS NAVAL MATERIAL...DIVISION COMPENSATION BRANCH MANPOWER PROGRAMMING ■RANCH JOURNAL/TRADE TALK BRANCH 06A ASSISTANT FOR COMPUTER SCIENCES SYSTEMS DEVELOPMENT BRANCH...Assistant Director, Life Sciences , Air Force Office of Scientific Research Technical Library, Air Force Human Resources Laboratory, Lackland Air Force Base

  9. The iPlant Collaborative: Cyberinfrastructure for Enabling Data to Discovery for the Life Sciences

    PubMed Central

    Merchant, Nirav; Lyons, Eric; Goff, Stephen; Vaughn, Matthew; Ware, Doreen; Micklos, David; Antin, Parker

    2016-01-01

    The iPlant Collaborative provides life science research communities access to comprehensive, scalable, and cohesive computational infrastructure for data management; identity management; collaboration tools; and cloud, high-performance, high-throughput computing. iPlant provides training, learning material, and best practice resources to help all researchers make the best use of their data, expand their computational skill set, and effectively manage their data and computation when working as distributed teams. iPlant’s platform permits researchers to easily deposit and share their data and deploy new computational tools and analysis workflows, allowing the broader community to easily use and reuse those data and computational analyses. PMID:26752627

  10. Laboratory directed research and development annual report 2004.

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

    Not Available

    This report summarizes progress from the Laboratory Directed Research and Development (LDRD) program during fiscal year 2004. In addition to a programmatic and financial overview, the report includes progress reports from 352 individual R and D projects in 15 categories. The 15 categories are: (1) Advanced Concepts; (2) Advanced Manufacturing; (3) Biotechnology; (4) Chemical and Earth Sciences; (5) Computational and Information Sciences; (6) Differentiating Technologies; (7) Electronics and Photonics; (8) Emerging Threats; (9) Energy and Critical Infrastructures; (10) Engineering Sciences; (11) Grand Challenges; (12) Materials Science and Technology; (13) Nonproliferation and Materials Control; (14) Pulsed Power and High Energy Densitymore » Sciences; and (15) Corporate Objectives.« less

  11. Implications of Windowing Techniques for CAI.

    ERIC Educational Resources Information Center

    Heines, Jesse M.; Grinstein, Georges G.

    This paper discusses the use of a technique called windowing in computer assisted instruction to allow independent control of functional areas in complex CAI displays and simultaneous display of output from a running computer program and coordinated instructional material. Two obstacles to widespread use of CAI in computer science courses are…

  12. Biomedical Science, Unit IV: The Nervous System in Health and Medicine. The Nervous System; Disorders of the Brain and Nervous System; Application of Computer Science to Diagnosis; Drugs and Pharmacology; The Human Senses; Electricity. Instructor's Manual. Revised Version, 1976.

    ERIC Educational Resources Information Center

    Biomedical Interdisciplinary Curriculum Project, Berkeley, CA.

    This volume contains the lesson plans and appropriate teacher background material for a 37-lesson sequence on the nervous system in health and medicine. Additional material is provided for supplementary lessons on concepts of electricity. Associated material, contained in separate volumes, include a student text and a student laboratory manual.…

  13. Proceedings of the National Science Council, Republic of China. Part D: Mathematics, Science, and Technology Education, 1998.

    ERIC Educational Resources Information Center

    Guo, Chorng-Jee, Ed.

    1998-01-01

    This proceedings covers the domain and content areas of learning and learners; curriculum and materials; instruction (including computer-assisted instruction); assessment and evaluation; history and philosophy of science; teacher preparation and professional development; and related areas of interest including environmental, special, health,…

  14. Neuromorphic Computing, Architectures, Models, and Applications. A Beyond-CMOS Approach to Future Computing, June 29-July 1, 2016, Oak Ridge, TN

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

    Potok, Thomas; Schuman, Catherine; Patton, Robert

    The White House and Department of Energy have been instrumental in driving the development of a neuromorphic computing program to help the United States continue its lead in basic research into (1) Beyond Exascale—high performance computing beyond Moore’s Law and von Neumann architectures, (2) Scientific Discovery—new paradigms for understanding increasingly large and complex scientific data, and (3) Emerging Architectures—assessing the potential of neuromorphic and quantum architectures. Neuromorphic computing spans a broad range of scientific disciplines from materials science to devices, to computer science, to neuroscience, all of which are required to solve the neuromorphic computing grand challenge. In our workshopmore » we focus on the computer science aspects, specifically from a neuromorphic device through an application. Neuromorphic devices present a very different paradigm to the computer science community from traditional von Neumann architectures, which raises six major questions about building a neuromorphic application from the device level. We used these fundamental questions to organize the workshop program and to direct the workshop panels and discussions. From the white papers, presentations, panels, and discussions, there emerged several recommendations on how to proceed.« less

  15. Mapping the Materials Genome through Combinatorial Informatics

    NASA Astrophysics Data System (ADS)

    Rajan, Krishna

    2012-02-01

    The recently announced White House Materials Genome Initiative provides an exciting challenge to the materials science community. To meet that challenge one needs to address a critical question, namely what is the materials genome? Some guide on how to the answer this question can be gained by recognizing that a ``gene'' is a carrier of information. In the biological sciences, discovering how to manipulate these genes has generated exciting discoveries in fundamental molecular biology as well as significant advances in biotechnology. Scaling that up to molecular, cellular length scales and beyond, has spawned from genomics, fields such as proteomics, metabolomics and essentially systems biology. The ``omics'' approach requires that one needs to discover and track these ``carriers of information'' and then correlate that information to predict behavior. A similar challenge lies in materials science, where there is a diverse array of modalities of materials ``discovery'' ranging from new materials chemistries and molecular arrangements with novel properties, to the development and design of new micro- and mesoscale structures. Hence to meaningfully adapt the spirit of ``genomics'' style research in materials science, we need to first identify and map the ``genes'' across different materials science applications On the experimental side, combinatorial experiments have opened a new approach to generate data in a high throughput manner, but without a clear way to link that to models, the full value of that data is not realized. Hence along with experimental and computational materials science, we need to add a ``third leg'' to our toolkit to make the ``Materials Genome'' a reality, the science of Materials Informatics. In this presentation we provide an overview of how information science coupled to materials science can in fact achieve the goal of mapping the ``Materials Genome''.

  16. NASA Tech Briefs, December 1995. Volume 19, No. 12

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Topics include: a special focus section on Bio/Medical technology, electronic components and circuits, electronic systems, physical sciences, materials, computer programs, mechanics, machinery, manufacturing/fabrication, mathematics and information sciences, book and reports, and a special section on Laser Tech Briefs.

  17. 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…

  18. Learning physical descriptors for materials science by compressed sensing

    NASA Astrophysics Data System (ADS)

    Ghiringhelli, Luca M.; Vybiral, Jan; Ahmetcik, Emre; Ouyang, Runhai; Levchenko, Sergey V.; Draxl, Claudia; Scheffler, Matthias

    2017-02-01

    The availability of big data in materials science offers new routes for analyzing materials properties and functions and achieving scientific understanding. Finding structure in these data that is not directly visible by standard tools and exploitation of the scientific information requires new and dedicated methodology based on approaches from statistical learning, compressed sensing, and other recent methods from applied mathematics, computer science, statistics, signal processing, and information science. In this paper, we explain and demonstrate a compressed-sensing based methodology for feature selection, specifically for discovering physical descriptors, i.e., physical parameters that describe the material and its properties of interest, and associated equations that explicitly and quantitatively describe those relevant properties. As showcase application and proof of concept, we describe how to build a physical model for the quantitative prediction of the crystal structure of binary compound semiconductors.

  19. 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.

  20. Big Data: Next-Generation Machines for Big Science

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

    Hack, James J.; Papka, Michael E.

    Addressing the scientific grand challenges identified by the US Department of Energy’s (DOE’s) Office of Science’s programs alone demands a total leadership-class computing capability of 150 to 400 Pflops by the end of this decade. The successors to three of the DOE’s most powerful leadership-class machines are set to arrive in 2017 and 2018—the products of the Collaboration Oak Ridge Argonne Livermore (CORAL) initiative, a national laboratory–industry design/build approach to engineering nextgeneration petascale computers for grand challenge science. These mission-critical machines will enable discoveries in key scientific fields such as energy, biotechnology, nanotechnology, materials science, and high-performance computing, and servemore » as a milestone on the path to deploying exascale computing capabilities.« less

  1. 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.

  2. Distributed databases for materials study of thermo-kinetic properties

    NASA Astrophysics Data System (ADS)

    Toher, Cormac

    2015-03-01

    High-throughput computational materials science provides researchers with the opportunity to rapidly generate large databases of materials properties. To rapidly add thermal properties to the AFLOWLIB consortium and Materials Project repositories, we have implemented an automated quasi-harmonic Debye model, the Automatic GIBBS Library (AGL). This enables us to screen thousands of materials for thermal conductivity, bulk modulus, thermal expansion and related properties. The search and sort functions of the online database can then be used to identify suitable materials for more in-depth study using more precise computational or experimental techniques. AFLOW-AGL source code is public domain and will soon be released within the GNU-GPL license.

  3. Twenty Years of Symbiosis Between Art and Science

    ERIC Educational Resources Information Center

    Reichardt, Jasia

    1974-01-01

    During the past two decades advances in biology, nuclear physics, computer and material sciences, and audiovisual engineering have brought a radically new dimension to most art forms and have stimulated the artist and his innovations to breath-taking levels of achievement. (Editor/JR)

  4. NASA Tech Briefs, May 1989. Volume 13, No. 5

    NASA Technical Reports Server (NTRS)

    1989-01-01

    This issue contains a special feature on the flight station of the future, discussing future enhancements to Aircraft cockpits. Topics include: Electronic Components and Circuits. Electronic Systems, Physical Sciences, Materials, Computer Programs, Mechanics, Machinery, Fabrication Technology, and Mathematics and Information Sciences.

  5. Religious Studies as a Test-Case For Computer-Assisted Instruction In The Humanities.

    ERIC Educational Resources Information Center

    Jones, Bruce William

    Experiences with computer-assisted instructional (CAI) programs written for religious studies indicate that CAI has contributions to offer the humanities and social sciences. The usefulness of the computer for presentation, drill and review of factual material and its applicability to quantifiable data is well accepted. There now exist…

  6. Towards a National Plan in Applied Education and Training.

    ERIC Educational Resources Information Center

    Adderley, John

    The National Computing Centre Limited (NCC), established by the British Government to extend and improve the use of computers in the United Kingdom, is a major force in computer science education. As part of the overall national plan, training course packages consisting of lecturer's materials, visual aids and student notes have been prepared for…

  7. NASA CORE (Central Operation of Resources for Educators) Educational Materials Catalog

    NASA Technical Reports Server (NTRS)

    1998-01-01

    This educational materials catalog presents NASA CORE (Central Operation of Resources for Educators). The topics include: 1) Videocassettes (Aeronautics, Earth Resources, Weather, Space Exploration/Satellites, Life Sciences, Careers); 2) Slide Programs; 3) Computer Materials; 4) NASA Memorabilia/Miscellaneous; 5) NASA Educator Resource Centers; 6) and NASA Resources.

  8. 78 FR 25723 - National Assessment Governing Board; Meeting

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-02

    ..., assistive listening devices, materials in alternative format) should notify Munira Mwalimu at 202- 357-6938.... to review secure NAEP test materials for Science Interactive Computer Tasks (ICTs) at grades 4, 8... provided with secure items and materials which are not yet available for release to the general public...

  9. Berkeley Lab - Materials Sciences Division

    Science.gov Websites

    Computational Study of Excited-State Phenomena in Energy Materials Center for X-ray Optics MSD Facilities Ion Excited-State Phenomena in Energy Materials Center for X-ray Optics MSD Facilities Ion Beam Analysis Behavior of Lithium Metal across a Rigid Block Copolymer Electrolyte Membrane. Journal of the

  10. Nanotechnology and dentistry

    PubMed Central

    Ozak, Sule Tugba; Ozkan, Pelin

    2013-01-01

    Nanotechnology deals with the physical, chemical, and biological properties of structures and their components at nanoscale dimensions. Nanotechnology is based on the concept of creating functional structures by controlling atoms and molecules on a one-by-one basis. The use of this technology will allow many developments in the health sciences as well as in materials science, bio-technology, electronic and computer technology, aviation, and space exploration. With developments in materials science and biotechnology, nanotechnology is especially anticipated to provide advances in dentistry and innovations in oral health-related diagnostic and therapeutic methods. PMID:23408486

  11. 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

  12. Laboratory directed research and development program FY 1997

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

    NONE

    1998-03-01

    This report compiles the annual reports of Laboratory Directed Research and Development projects supported by the Berkeley Lab. Projects are arranged under the following topical sections: (1) Accelerator and fusion research division; (2) Chemical sciences division; (3) Computing Sciences; (4) Earth sciences division; (5) Environmental energy technologies division; (6) life sciences division; (7) Materials sciences division; (8) Nuclear science division; (9) Physics division; (10) Structural biology division; and (11) Cross-divisional. A total of 66 projects are summarized.

  13. An atom is known by the company it keeps: Content, representation and pedagogy within the epistemic revolution of the complexity sciences

    NASA Astrophysics Data System (ADS)

    Blikstein, Paulo

    The goal of this dissertation is to explore relations between content, representation, and pedagogy, so as to understand the impact of the nascent field of complexity sciences on science, technology, engineering and mathematics (STEM) learning. Wilensky & Papert coined the term "structurations" to express the relationship between knowledge and its representational infrastructure. A change from one representational infrastructure to another they call a "restructuration." The complexity sciences have introduced a novel and powerful structuration: agent-based modeling. In contradistinction to traditional mathematical modeling, which relies on equational descriptions of macroscopic properties of systems, agent-based modeling focuses on a few archetypical micro-behaviors of "agents" to explain emergent macro-behaviors of the agent collective. Specifically, this dissertation is about a series of studies of undergraduate students' learning of materials science, in which two structurations are compared (equational and agent-based), consisting of both design research and empirical evaluation. I have designed MaterialSim, a constructionist suite of computer models, supporting materials and learning activities designed within the approach of agent-based modeling, and over four years conducted an empirical inves3 tigation of an undergraduate materials science course. The dissertation is comprised of three studies: Study 1 - diagnosis . I investigate current representational and pedagogical practices in engineering classrooms. Study 2 - laboratory studies. I investigate the cognition of students engaging in scientific inquiry through programming their own scientific models. Study 3 - classroom implementation. I investigate the characteristics, advantages, and trajectories of scientific content knowledge that is articulated in epistemic forms and representational infrastructures unique to complexity sciences, as well as the feasibility of the integration of constructionist, agent-based learning environments in engineering classrooms. Data sources include classroom observations, interviews, videotaped sessions of model-building, questionnaires, analysis of computer-generated logfiles, and quantitative and qualitative analysis of artifacts. Results shows that (1) current representational and pedagogical practices in engineering classrooms were not up to the challenge of the complex content being taught, (2) by building their own scientific models, students developed a deeper understanding of core scientific concepts, and learned how to better identify unifying principles and behaviors in materials science, and (3) programming computer models was feasible within a regular engineering classroom.

  14. 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

  15. JPL basic research review. [research and advanced development

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Current status, projected goals, and results of 49 research and advanced development programs at the Jet Propulsion Laboratory are reported in abstract form. Areas of investigation include: aerodynamics and fluid mechanics, applied mathematics and computer sciences, environment protection, materials science, propulsion, electric and solar power, guidance and navigation, communication and information sciences, general physics, and chemistry.

  16. European aerospace science and technology, 1992: A bibliography with indexes

    NASA Technical Reports Server (NTRS)

    1993-01-01

    This bibliography contains 1916 annotated references to reports and journal articles of European intellectual origin entered into the NASA Scientific and Technical Information System during 1992. Representative subject areas include: spacecraft and aircraft design, propulsion technology, chemistry and materials, engineering and mechanics, earth and life sciences, communications, computers and mathematics, and the natural space sciences.

  17. Games and Simulations for Climate, Weather and Earth Science Education

    NASA Astrophysics Data System (ADS)

    Russell, R. M.; Clark, S.

    2015-12-01

    We will demonstrate several interactive, computer-based simulations, games, and other interactive multimedia. These resources were developed for weather, climate, atmospheric science, and related Earth system science education. The materials were created by the UCAR Center for Science Education. These materials have been disseminated via our web site (SciEd.ucar.edu), webinars, online courses, teacher workshops, and large touchscreen displays in weather and Sun-Earth connections exhibits in NCAR's Mesa Lab facility in Boulder, Colorado. Our group has also assembled a web-based list of similar resources, especially simulations and games, from other sources that touch upon weather, climate, and atmospheric science topics. We'll briefly demonstrate this directory.

  18. 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.

  19. Magneto Caloric Effect in Ni-Mn-Ga alloys: First Principles and Experimental studies

    NASA Astrophysics Data System (ADS)

    Odbadrakh, Khorgolkhuu; Nicholson, Don; Brown, Gregory; Rusanu, Aurelian; Rios, Orlando; Hodges, Jason; Safa-Sefat, Athena; Ludtka, Gerard; Eisenbach, Markus; Evans, Boyd

    2012-02-01

    Understanding the Magneto-Caloric Effect (MCE) in alloys with real technological potential is important to the development of viable MCE based products. We report results of computational and experimental investigation of a candidate MCE materials Ni-Mn-Ga alloys. The Wang-Landau statistical method is used in tandem with Locally Self-consistent Multiple Scattering (LSMS) method to explore magnetic states of the system. A classical Heisenberg Hamiltonian is parametrized based on these states and used in obtaining the density of magnetic states. The Currie temperature, isothermal entropy change, and adiabatic temperature change are then calculated from the density of states. Experiments to observe the structural and magnetic phase transformations were performed at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on alloys of Ni-Mn-Ga and Fe-Ni-Mn-Ga-Cu. Data from the observations are discussed in comparison with the computational studies. This work was sponsored by the Laboratory Directed Research and Development Program (ORNL), by the Mathematical, Information, and Computational Sciences Division; Office of Advanced Scientific Computing Research (US DOE), and by the Materials Sciences and Engineering Division; Office of Basic Energy Sciences (US DOE).

  20. Emerging Science And Technologies: Securing The Nation Through Dicovery and Innovation

    DTIC Science & Technology

    2013-04-01

    potential material for use in quantum computing and spintronics. R&D in the area of advanced carbon-based materials has the potential to revolutionize...seem to involve a dual-approach strategy. First, the vast majority of our sensory input information does not reach the level of consciousness ...WHITE PAPER | 17 Relevant technology areas that support Protection of the Intelligence Enterprise include: Quantum Computing and Associated

  1. Energy and technology review, July--August, 1990

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

    Burnham, A.K.

    1990-01-01

    This report highlights various research programs conducted at the Lab to include: defense systems, laser research, fusion energy, biomedical and environmental sciences, engineering, physics, chemistry, materials science, and computational analysis. It also contains a statement on the state of the Lab and Laboratory Administration. (JEF)

  2. Berkeley Lab - Materials Sciences Division

    Science.gov Websites

    Computational Study of Excited-State Phenomena in Energy Materials Center for X-ray Optics MSD Facilities Ion Facilities and Centers Staff Center for X-ray Optics Patrick Naulleau Director 510-486-4529 2-432 PNaulleau

  3. "Bulk" Nanocrystalline Metals: Review of the Current State of the Art and Future Opportunities for Copper and Copper Alloys

    NASA Astrophysics Data System (ADS)

    Tschopp, M. A.; Murdoch, H. A.; Kecskes, L. J.; Darling, K. A.

    2014-06-01

    It is a new beginning for innovative fundamental and applied science in nanocrystalline materials. Many of the processing and consolidation challenges that have haunted nanocrystalline materials are now more fully understood, opening the doors for bulk nanocrystalline materials and parts to be produced. While challenges remain, recent advances in experimental, computational, and theoretical capability have allowed for bulk specimens that have heretofore been pursued only on a limited basis. This article discusses the methodology for synthesis and consolidation of bulk nanocrystalline materials using mechanical alloying, the alloy development and synthesis process for stabilizing these materials at elevated temperatures, and the physical and mechanical properties of nanocrystalline materials with a focus throughout on nanocrystalline copper and a nanocrystalline Cu-Ta system, consolidated via equal channel angular extrusion, with properties rivaling that of nanocrystalline pure Ta. Moreover, modeling and simulation approaches as well as experimental results for grain growth, grain boundary processes, and deformation mechanisms in nanocrystalline copper are briefly reviewed and discussed. Integrating experiments and computational materials science for synthesizing bulk nanocrystalline materials can bring about the next generation of ultrahigh strength materials for defense and energy applications.

  4. The Japan-China Amity Delegation Written Report Association for Science, Technology and Economics, Inc.

    DTIC Science & Technology

    1981-03-12

    agriculture, raw materials, energy sources, computers, lasers , space and aeronautics, high energy physics, and genetics. The four modernizations will be...accomp- lished and the strong socialist country that is born at the end of the century will be a keyhole for the promotion of science and technology...Process (FNP). Its purpose is to connect with the Kiautsu University computer (model 108) and then to connect a data terminal . This will make a

  5. Using NCLab-karel to improve computational thinking skill of junior high school students

    NASA Astrophysics Data System (ADS)

    Kusnendar, J.; Prabawa, H. W.

    2018-05-01

    Increasingly human interaction with technology and the increasingly complex development of digital technology world make the theme of computer science education interesting to study. Previous studies on Computer Literacy and Competency reveal that Indonesian teachers in general have fairly high computational skill, but their skill utilization are limited to some applications. This engenders limited and minimum computer-related learning for the students. On the other hand, computer science education is considered unrelated to real-world solutions. This paper attempts to address the utilization of NCLab- Karel in shaping the computational thinking in students. This computational thinking is believed to be able to making learn students about technology. Implementation of Karel utilization provides information that Karel is able to increase student interest in studying computational material, especially algorithm. Observations made during the learning process also indicate the growth and development of computing mindset in students.

  6. The use of computers in a materials science laboratory

    NASA Technical Reports Server (NTRS)

    Neville, J. P.

    1990-01-01

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

  7. 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.

  8. Advisory List of Computer Courseware.

    ERIC Educational Resources Information Center

    North Carolina State Dept. of Public Instruction, Raleigh. Div. of Educational Media.

    Computer courseware appropriate for instruction in grades K-12 is listed in two advisory lists. Entries, selected from materials submitted by producers which received favorable reviews by educators, are arranged in the following categories: arts education, communication skills, mathematics, science, utility (a quiz generator), word processing, and…

  9. NASA Tech Briefs, June 1998. Volume 22, No. 6

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Topics include: special coverage on computer hardware and peripherals, electronic components and circuits, electronic systems, software, materials, mechanics, machinery/automation, manufacturing, physical sciences, information sciences, book and reports, and a special section of Photonics Tech Briefs. and a second special section of Motion Control Tech Briefs

  10. Biomanufacturing: a US-China National Science Foundation-sponsored workshop.

    PubMed

    Sun, Wei; Yan, Yongnian; Lin, Feng; Spector, Myron

    2006-05-01

    A recent US-China National Science Foundation-sponsored workshop on biomanufacturing reviewed the state-of-the-art of an array of new technologies for producing scaffolds for tissue engineering, providing precision multi-scale control of material, architecture, and cells. One broad category of such techniques has been termed solid freeform fabrication. The techniques in this category include: stereolithography, selected laser sintering, single- and multiple-nozzle deposition and fused deposition modeling, and three-dimensional printing. The precise and repetitive placement of material and cells in a three-dimensional construct at the micrometer length scale demands computer control. These novel computer-controlled scaffold production techniques, when coupled with computer-based imaging and structural modeling methods for the production of the templates for the scaffolds, define an emerging field of computer-aided tissue engineering. In formulating the questions that remain to be answered and discussing the knowledge required to further advance the field, the Workshop provided a basis for recommendations for future work.

  11. Stress Computations for Nearly Incompressible Materials

    DTIC Science & Technology

    1988-04-01

    Louis Ivo Babugka Research Professor, Institute for Physical Science and Technology University of Maryland, College Park Bidar K. Chayapathy Research...for Testing and Materials, Philadelphia, pp. 101-124 (1987). [13] Szab6, B. A., PROBE: Theoretical Manual, Release 1.0, Noetic Technologies Corp., St

  12. Data-driven discovery of new Dirac semimetal materials

    NASA Astrophysics Data System (ADS)

    Yan, Qimin; Chen, Ru; Neaton, Jeffrey

    In recent years, a significant amount of materials property data from high-throughput computations based on density functional theory (DFT) and the application of database technologies have enabled the rise of data-driven materials discovery. In this work, we initiate the extension of the data-driven materials discovery framework to the realm of topological semimetal materials and to accelerate the discovery of novel Dirac semimetals. We implement current available and develop new workflows to data-mine the Materials Project database for novel Dirac semimetals with desirable band structures and symmetry protected topological properties. This data-driven effort relies on the successful development of several automatic data generation and analysis tools, including a workflow for the automatic identification of topological invariants and pattern recognition techniques to find specific features in a massive number of computed band structures. Utilizing this approach, we successfully identified more than 15 novel Dirac point and Dirac nodal line systems that have not been theoretically predicted or experimentally identified. This work is supported by the Materials Project Predictive Modeling Center through the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231.

  13. 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

  14. 3D animation model with augmented reality for natural science learning in elementary school

    NASA Astrophysics Data System (ADS)

    Hendajani, F.; Hakim, A.; Lusita, M. D.; Saputra, G. E.; Ramadhana, A. P.

    2018-05-01

    Many opinions from primary school students' on Natural Science are a difficult lesson. Many subjects are not easily understood by students, especially on materials that teach some theories about natural processes. Such as rain process, condensation and many other processes. The difficulty that students experience in understanding it is that students cannot imagine the things that have been taught in the material. Although there is material to practice some theories but is actually quite limited. There is also a video or simulation material in the form of 2D animated images. Understanding concepts in natural science lessons are also poorly understood by students. Natural Science learning media uses 3-dimensional animation models (3D) with augmented reality technology, which offers some visualization of science lessons. This application was created to visualize a process in Natural Science subject matter. The hope of making this application is to improve student's concept. This app is made to run on a personal computer that comes with a webcam with augmented reality. The app will display a 3D animation if the camera can recognize the marker.

  15. Games and Simulations for Climate, Weather and Earth Science Education

    NASA Astrophysics Data System (ADS)

    Russell, R. M.

    2014-12-01

    We will demonstrate several interactive, computer-based simulations, games, and other interactive multimedia. These resources were developed for weather, climate, atmospheric science, and related Earth system science education. The materials were created by the UCAR Center for Science Education. These materials have been disseminated via our web site (SciEd.ucar.edu), webinars, online courses, teacher workshops, and large touchscreen displays in weather and Sun-Earth connections exhibits in NCAR's Mesa Lab facility in Boulder, Colorado. Our group has also assembled a web-based list of similar resources, especially simulations and games, from other sources that touch upon weather, climate, and atmospheric science topics. We'll briefly demonstrate this directory. More info available at: scied.ucar.edu/events/agu-2014-games-simulations-sessions

  16. 2016 Energetic Materials Gordon Research Conference and Gordon Research Seminar Research Area 7: Chemical Sciences 7.0 Chemical Sciences (Dr. James K. Parker)

    DTIC Science & Technology

    2016-08-10

    thermal decomposition and mechanical damage of energetics. The program for the meeting included nine oral presentation sessions. Discussion leaders...USA) 7:30 pm - 7:35 pm Introduction by Discussion Leader 7:35 pm - 7:50 pm Vincent Baijot (Laboratory for Analysis and Architecture of Systems , CNRS...were synthesis of new materials, performance, advanced diagnostics, experimental techniques, theoretical approaches, and computational models for

  17. JPRS Report, Science & Technology, USSR: Materials Science, Mechanics and Technology of Metal and Metal Ceramic Composite Material Products

    DTIC Science & Technology

    1990-09-27

    value computed according to an additive rule [1], while on the other hand inelastic ( microplastic ) deformation starts earlier (practically at aw -* 0...and transverse directions. The development of microplastic zones in the matrix and their influence on macroscopic proper- ties are illustrated... microplastic zones starts at the phase interface, while in titanium-boron composites it starts at some distance from the interface. In the first case the

  18. Utilization of computer technology by science teachers in public high schools and the impact of standardized testing

    NASA Astrophysics Data System (ADS)

    Priest, Richard Harding

    A significant percentage of high school science teachers are not using computers to teach their students or prepare them for standardized testing. A survey of high school science teachers was conducted to determine how they are having students use computers in the classroom, why science teachers are not using computers in the classroom, which variables were relevant to their not using computers, and what are the effects of standardized testing on the use of technology in the high school science classroom. A self-administered questionnaire was developed to measure these aspects of computer integration and demographic information. A follow-up telephone interview survey of a portion of the original sample was conducted in order to clarify questions, correct misunderstandings, and to draw out more holistic descriptions from the subjects. The primary method used to analyze the quantitative data was frequency distributions. Multiple regression analysis was used to investigate the relationships between the barriers and facilitators and the dimensions of instructional use, frequency, and importance of the use of computers. All high school science teachers in a large urban/suburban school district were sent surveys. A response rate of 58% resulted from two mailings of the survey. It was found that contributing factors to why science teachers do not use computers were not enough up-to-date computers in their classrooms and other educational commitments and duties do not leave them enough time to prepare lessons that include technology. While a high percentage of science teachers thought their school and district administrations were supportive of technology, they also believed more inservice technology training and follow-up activities to support that training are needed and more software needs to be created. The majority of the science teachers do not use the computer to help students prepare for standardized tests because they believe they can prepare students more efficiently without a computer. Nearly half of the teachers, however, gave lack of time to prepare instructional materials and lack of a means to project a computer image to the whole class as reasons they do not use computers. A significant percentage thought science standardized testing was having a negative effect on computer use.

  19. Oversight Hearing on the High Performance Computing and Communications Program and Uses of the Information Highway. Hearing before the Subcommittee on Science, Technology, and Space of the Committee on Commerce, Science, and Transportation. United States Senate, One Hundred Fourth Congress, First Session.

    ERIC Educational Resources Information Center

    Congress of the U.S., Washington, DC. House Committee on Science, Space and Technology.

    This document presents witness testimony and supplemental materials from a Congressional hearing called to evaluate the progress of the High Performance Computing and Communications program in light of budget requests, to examine the appropriate role for the government in such a project, and to see demonstrations of the World Wide Web and related…

  20. Physics Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Discusses the Rugby clock as a source of project material, use of ZX81 for experimental science, computer dice analog, oil recovery from reservoirs, and computer simulation of Thompson's experiment for determining e/m for an electron. Activities/procedures are provided when applicable. Also presents questions (and answers) related to time-coded…

  1. Earth observations and global change decision making: A special bibliography, 1991

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The first section of the bibliography contains 294 bibliographic citations and abstracts of relevant reports, articles, and documents announced in 'Scientific and Technical Aerospace Reports (STAR)' and 'International Aerospace Abstracts (IAA)'. These abstracts are categorized by the following major subject divisions: aeronautics, astronautics, chemistry and materials, engineering, geosciences, life sciences, mathematical and computer sciences, physics, social sciences, space sciences and general. Following the abstract section, seven indexes are provided for further assistance.

  2. Exascale computing and what it means for shock physics

    NASA Astrophysics Data System (ADS)

    Germann, Timothy

    2015-06-01

    The U.S. Department of Energy is preparing to launch an Exascale Computing Initiative, to address the myriad challenges required to deploy and effectively utilize an exascale-class supercomputer (i.e., one capable of performing 1018 operations per second) in the 2023 timeframe. Since physical (power dissipation) requirements limit clock rates to at most a few GHz, this will necessitate the coordination of on the order of a billion concurrent operations, requiring sophisticated system and application software, and underlying mathematical algorithms, that may differ radically from traditional approaches. Even at the smaller workstation or cluster level of computation, the massive concurrency and heterogeneity within each processor will impact computational scientists. Through the multi-institutional, multi-disciplinary Exascale Co-design Center for Materials in Extreme Environments (ExMatEx), we have initiated an early and deep collaboration between domain (computational materials) scientists, applied mathematicians, computer scientists, and hardware architects, in order to establish the relationships between algorithms, software stacks, and architectures needed to enable exascale-ready materials science application codes within the next decade. In my talk, I will discuss these challenges, and what it will mean for exascale-era electronic structure, molecular dynamics, and engineering-scale simulations of shock-compressed condensed matter. In particular, we anticipate that the emerging hierarchical, heterogeneous architectures can be exploited to achieve higher physical fidelity simulations using adaptive physics refinement. This work is supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research.

  3. So You're Going to Get an Intern!

    ERIC Educational Resources Information Center

    Boardman, Edna M.

    1990-01-01

    Presents a checklist of skills for school librarians to use with library science student interns. Areas of skills addressed include selection of materials, cataloging, vertical files, preparation of materials for shelving, circulation, audiovisual and computer equipment and procedures, administration, physical arrangement, relations with staff and…

  4. NASA Tech Briefs, November 1997. Volume 21, No. 11

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Topics covered include: Test and Measurement; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Machinery/Automation; Books and Reports..

  5. Asian consortium on computational materials science theme meeting on ;first principles analysis & experiment: Role in energy research; 22-24 september 2016, SRM University, Kattankulathur, Chennai, India (ACCMS-TM 2016)

    NASA Astrophysics Data System (ADS)

    Thapa, Ranjit; Kawazoe, Yoshiyuki

    2017-10-01

    The main objective of this meeting was to provide a platform for theoreticians and experimentalists working in the area of materials to come together and carry out cutting edge research in the field of energy by showcasing their ideas and innovations. The theme meeting was successful in attracting young researchers from both fields, sharing common research interests. Participation of more than 250 researchers in ACCMS-TM 2016 has successfully paved the way towards exchange of mutual research insights and establishment of promising research collaborations. To encourage the young participants' research efforts, three best posters, each named as ;KAWAZOE PRIZE; in theoretical category and two best posters named ;ACCMS-TM 2016 POSTER AWARD; for experimental contributions was selected. A new award named ;ACCMS MID-CAREER AWARD; for outstanding scientific contribution in the area of Computational Materials Science was constituted.

  6. Games and Simulations for Climate, Weather and Earth Science Education

    NASA Astrophysics Data System (ADS)

    Russell, R. M.

    2013-12-01

    We will demonstrate several interactive, computer-based simulations, games, and other interactive multimedia. These resources were developed for weather, climate, atmospheric science, and related Earth system science education. The materials were created by education groups at NCAR/UCAR in Boulder, primarily Spark and the COMET Program. These materials have been disseminated via Spark's web site (spark.ucar.edu), webinars, online courses, teacher workshops, and large touchscreen displays in weather and Sun-Earth connections exhibits in NCAR's Mesa Lab facility. Spark has also assembled a web-based list of similar resources, especially simulations and games, from other sources that touch upon weather, climate, and atmospheric science topics. We'll briefly demonstrate this directory.

  7. An unusual type of polymorphism in a liquid crystal

    DOE PAGES

    Li, Lin; Salamonczyk, Miroslaw; Shadpour, Sasan; ...

    2018-02-19

    Polymorphism is a remarkable concept in chemistry, materials science, computer science, and biology. Whether it is the ability of a material to exist in two or more crystal structures, a single interface connecting to two different entities, or alternative phenotypes of an organism, polymorphism determines function and properties. In materials science, polymorphism can be found in an impressively wide range of materials, including crystalline materials, minerals, metals, alloys, and polymers. Here in this paper we report on polymorphism in a liquid crystal. A bent-core liquid crystal with a single chiral side chain forms two structurally and morphologically significantly different liquidmore » crystal phases solely depending on the cooling rate from the isotropic liquid state. On slow cooling, the thermodynamically more stable oblique columnar phase forms, and on rapid cooling, a not heretofore reported helical microfilament phase. Since structure determines function and properties, the structural color for these phases also differs.« less

  8. An unusual type of polymorphism in a liquid crystal

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

    Li, Lin; Salamonczyk, Miroslaw; Shadpour, Sasan

    Polymorphism is a remarkable concept in chemistry, materials science, computer science, and biology. Whether it is the ability of a material to exist in two or more crystal structures, a single interface connecting to two different entities, or alternative phenotypes of an organism, polymorphism determines function and properties. In materials science, polymorphism can be found in an impressively wide range of materials, including crystalline materials, minerals, metals, alloys, and polymers. Here in this paper we report on polymorphism in a liquid crystal. A bent-core liquid crystal with a single chiral side chain forms two structurally and morphologically significantly different liquidmore » crystal phases solely depending on the cooling rate from the isotropic liquid state. On slow cooling, the thermodynamically more stable oblique columnar phase forms, and on rapid cooling, a not heretofore reported helical microfilament phase. Since structure determines function and properties, the structural color for these phases also differs.« less

  9. Comprehensive report of aeropropulsion, space propulsion, space power, and space science applications of the Lewis Research Center

    NASA Technical Reports Server (NTRS)

    1988-01-01

    The research activities of the Lewis Research Center for 1988 are summarized. The projects included are within basic and applied technical disciplines essential to aeropropulsion, space propulsion, space power, and space science/applications. These disciplines are materials science and technology, structural mechanics, life prediction, internal computational fluid mechanics, heat transfer, instruments and controls, and space electronics.

  10. Topics in computational physics

    NASA Astrophysics Data System (ADS)

    Monville, Maura Edelweiss

    Computational Physics spans a broad range of applied fields extending beyond the border of traditional physics tracks. Demonstrated flexibility and capability to switch to a new project, and pick up the basics of the new field quickly, are among the essential requirements for a computational physicist. In line with the above mentioned prerequisites, my thesis described the development and results of two computational projects belonging to two different applied science areas. The first project is a Materials Science application. It is a prescription for an innovative nano-fabrication technique that is built out of two other known techniques. The preliminary results of the simulation of this novel nano-patterning fabrication method show an average improvement, roughly equal to 18%, with respect to the single techniques it draws on. The second project is a Homeland Security application aimed at preventing smuggling of nuclear material at ports of entry. It is concerned with a simulation of an active material interrogation system based on the analysis of induced photo-nuclear reactions. This project consists of a preliminary evaluation of the photo-fission implementation in the more robust radiation transport Monte Carlo codes, followed by the customization and extension of MCNPX, a Monte Carlo code developed in Los Alamos National Laboratory, and MCNP-PoliMi. The final stage of the project consists of testing the interrogation system against some real world scenarios, for the purpose of determining the system's reliability, material discrimination power, and limitations.

  11. Factors Promoting Engaged Exploration with Computer Simulations

    ERIC Educational Resources Information Center

    Podolefsky, Noah S.; Perkins, Katherine K.; Adams, Wendy K.

    2010-01-01

    This paper extends prior research on student use of computer simulations (sims) to engage with and explore science topics, in this case wave interference. We describe engaged exploration; a process that involves students actively interacting with educational materials, sense making, and exploring primarily via their own questioning. We analyze…

  12. 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

  13. 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

  14. 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.

  15. Hands-On Astrophysics: Variable Stars in Math, Science, and Computer Education

    NASA Astrophysics Data System (ADS)

    Mattei, J. A.; Percy, J. R.

    1999-12-01

    Hands-On Astrophysics (HOA): Variable Stars in Math, Science, and Computer Education, is a project recently developed by the American Association of Variable Star Observers (AAVSO) with funds from the National Science Foundation. HOA uses the unique methods and the international database of the AAVSO to develop and integrate students' math and science skills through variable star observation and analysis. It can provide an understanding of basic astronomy concepts, as well as interdisciplinary connections. Most of all, it motivates the user by exposing them to the excitement of doing real science with real data. Project materials include: a database of 600,000 variable star observations; VSTAR (a data plotting and analysis program), and other user friendly software; 31 slides and 14 prints of five constellations; 45 variable star finder charts; an instructional videotape in three 15-minute segments; and a 560-page student's and teacher's manual. These materials support the National Standards for Science and Math education by directly involving the students in the scientific process. Hands-On Astrophysics is designed to be flexible. It is organized so that it can be used at many levels, in many contexts: for classroom use from high school to college level, or for individual projects. In addition, communication and support can be found through the AAVSO home page on the World Wide Web: http://www.aavso.org. The HOA materials can be ordered through this web site or from the AAVSO, 25 Birch Street Cambridge, MA 02138, USA. We gratefully acknowledge the education grant ESI-9154091 from the National Science Foundation which funded the development of this project.

  16. 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.

  17. Industrial benefits and future expectations in materials and processes resulting from space technology

    NASA Technical Reports Server (NTRS)

    Meyer, J. D.

    1977-01-01

    Space technology transfer is discussed as applied to the field of materials science. Advances made in processing include improved computer techniques, and structural analysis. Technology transfer is shown to have an important impact potential in the overall productivity of the United States.

  18. Ontological and Epistemological Issues Regarding Climate Models and Computer Experiments

    NASA Astrophysics Data System (ADS)

    Vezer, M. A.

    2010-12-01

    Recent philosophical discussions (Parker 2009; Frigg and Reiss 2009; Winsberg, 2009; Morgon 2002, 2003, 2005; Gula 2002) about the ontology of computer simulation experiments and the epistemology of inferences drawn from them are of particular relevance to climate science as computer modeling and analysis are instrumental in understanding climatic systems. How do computer simulation experiments compare with traditional experiments? Is there an ontological difference between these two methods of inquiry? Are there epistemological considerations that result in one type of inference being more reliable than the other? What are the implications of these questions with respect to climate studies that rely on computer simulation analysis? In this paper, I examine these philosophical questions within the context of climate science, instantiating concerns in the philosophical literature with examples found in analysis of global climate change. I concentrate on Wendy Parker’s (2009) account of computer simulation studies, which offers a treatment of these and other questions relevant to investigations of climate change involving such modelling. Two theses at the center of Parker’s account will be the focus of this paper. The first is that computer simulation experiments ought to be regarded as straightforward material experiments; which is to say, there is no significant ontological difference between computer and traditional experimentation. Parker’s second thesis is that some of the emphasis on the epistemological importance of materiality has been misplaced. I examine both of these claims. First, I inquire as to whether viewing computer and traditional experiments as ontologically similar in the way she does implies that there is no proper distinction between abstract experiments (such as ‘thought experiments’ as well as computer experiments) and traditional ‘concrete’ ones. Second, I examine the notion of materiality (i.e., the material commonality between object and target systems) and some arguments for the claim that materiality entails some inferential advantage to traditional experimentation. I maintain that Parker’s account of the ontology of computer simulations has some interesting though potentially problematic implications regarding conventional distinctions between abstract and concrete methods of inquiry. With respect to her account of materiality, I outline and defend an alternative account, posited by Mary Morgan (2002, 2003, 2005), which holds that ontological similarity between target and object systems confers some epistemological advantage to traditional forms of experimental inquiry.

  19. NASA Tech Briefs, July 1999. Volume 23, No. 7

    NASA Technical Reports Server (NTRS)

    1999-01-01

    Topics: Test and Measurement; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Software; Mechanics; Machinery/Automation; Bio-Medical; Books and Reports; Semiconductors/ICs.

  20. Enhancing Student Learning in Food Engineering Using Computational Fluid Dynamics Simulations

    ERIC Educational Resources Information Center

    Wong, Shin Y.; Connelly, Robin K.; Hartel, Richard W.

    2010-01-01

    The current generation of students coming into food science and engineering programs is very visually oriented from their early experiences. To increase their interest in learning, new and visually appealing teaching materials need to be developed. Two diverse groups of students may be identified based on their math skills. Food science students…

  1. Large Scale GW Calculations on the Cori System

    NASA Astrophysics Data System (ADS)

    Deslippe, Jack; Del Ben, Mauro; da Jornada, Felipe; Canning, Andrew; Louie, Steven

    The NERSC Cori system, powered by 9000+ Intel Xeon-Phi processors, represents one of the largest HPC systems for open-science in the United States and the world. We discuss the optimization of the GW methodology for this system, including both node level and system-scale optimizations. We highlight multiple large scale (thousands of atoms) case studies and discuss both absolute application performance and comparison to calculations on more traditional HPC architectures. We find that the GW method is particularly well suited for many-core architectures due to the ability to exploit a large amount of parallelism across many layers of the system. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, as part of the Computational Materials Sciences Program.

  2. 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.

  3. Updating and expanding the library of materials on NASA Spacelink electronic information system

    NASA Technical Reports Server (NTRS)

    Blake, Jean A.

    1992-01-01

    NASA Spacelink, a proven resource medium, may be accessed over telephone lines or via the Internet by teachers or anyone with a computer or modem. It is a collection of historical and current information on NASA programs and activities. Included in this library is information on a variety of NASA programs, updates on Shuttle status, news releases, aeronautics, space exploration, classroom materials, NASA Educational Services, and computer programs and graphics. The material stored in Spacelink has found widespread use by teachers and others, and is being used to stimulate students, particularly in the area of aerospace science.

  4. Computational Material Modeling of Hydrated Cement Paste Calcium Silicate Hydrate (C-S-H) Chemistry Structure - Influence of Magnesium Exchange on Mechanical Stiffness: C-S-H Jennite

    DTIC Science & Technology

    2015-04-27

    MODELING OF C-S-H Material chemistry level modeling following the principles and techniques commonly grouped under Computational Material Science is...Henmi, C. and Kusachi, I. Monoclinic tobermorite from fuka, bitchu-cho, Okoyama Perfecture. Japan J. Min. Petr. Econ . Geol. (1989)84:374-379. [22...31] Liu, Y. et al. First principles study of the stability and mechanical properties of MC (M=Ti, V, Zr, Nb, Hf and Ta) compounds. Journal of Alloys and Compounds. (2014) 582:500-504. 10

  5. Visualizing without Vision at the Microscale: Students with Visual Impairments Explore Cells with Touch

    ERIC Educational Resources Information Center

    Jones, M. Gail; Minogue, James; Oppewal, Tom; Cook, Michelle P.; Broadwell, Bethany

    2006-01-01

    Science instruction is typically highly dependent on visual representations of scientific concepts that are communicated through textbooks, teacher presentations, and computer-based multimedia materials. Little is known about how students with visual impairments access and interpret these types of visually-dependent instructional materials. This…

  6. 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)

  7. Fatigue Prediction for Composite Materials and Structures

    DTIC Science & Technology

    2005-10-01

    Teoría de Mezclas Serie-Paralelo Avanzada para el Análisis de Materiales Compuestos ” V Congreso de la Asociacion Española de Materiales Compuestos ...Computational Materials Science 32, 175–195 [2] Rastellini, F.; Oller, S. (2004). Modelado numérico de no linealidad constitutiva en laminados compuestos

  8. 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

  9. Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats

    NASA Astrophysics Data System (ADS)

    Ghiringhelli, Luca M.; Carbogno, Christian; Levchenko, Sergey; Mohamed, Fawzi; Huhs, Georg; Lüders, Martin; Oliveira, Micael; Scheffler, Matthias

    2017-11-01

    With big-data driven materials research, the new paradigm of materials science, sharing and wide accessibility of data are becoming crucial aspects. Obviously, a prerequisite for data exchange and big-data analytics is standardization, which means using consistent and unique conventions for, e.g., units, zero base lines, and file formats. There are two main strategies to achieve this goal. One accepts the heterogeneous nature of the community, which comprises scientists from physics, chemistry, bio-physics, and materials science, by complying with the diverse ecosystem of computer codes and thus develops "converters" for the input and output files of all important codes. These converters then translate the data of each code into a standardized, code-independent format. The other strategy is to provide standardized open libraries that code developers can adopt for shaping their inputs, outputs, and restart files, directly into the same code-independent format. In this perspective paper, we present both strategies and argue that they can and should be regarded as complementary, if not even synergetic. The represented appropriate format and conventions were agreed upon by two teams, the Electronic Structure Library (ESL) of the European Center for Atomic and Molecular Computations (CECAM) and the NOvel MAterials Discovery (NOMAD) Laboratory, a European Centre of Excellence (CoE). A key element of this work is the definition of hierarchical metadata describing state-of-the-art electronic-structure calculations.

  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. How Much Is Enough? Examining Computer Science and Civil Engineering Citation Data to Inform Collection Development and Retention Decisions in Three Large Canadian University Libraries

    ERIC Educational Resources Information Center

    Spence, Michelle; Mawhinney, Tara; Barsky, Eugene

    2012-01-01

    Science and engineering libraries have an important role to play in preserving the intellectual content in research areas of the departments they serve. This study employs bibliographic data from the Web of Science database to examine how much research material is required to cover 90% of faculty citations in civil engineering and computer…

  12. Social Significance of Fundamental Science Common to all Mankind

    NASA Astrophysics Data System (ADS)

    Zel'Dovich, Ya. B.

    It is a challenge of science to play a great role in solution of the problem of meeting material and spiritual human demands. The argument is known that science has become a productive force. When characterizing economy of one or another country or region, it is a practice to speak about science-intensive works, i.e., those where production and competitiveness are directly related to a science level. The science-intensive works include, for example, production of microelectronic circuits and their application in computer and information science or production of pharmaceutical preparations using gene engineering. This list could be continued indefinitely…

  13. The Identification and Acquisition of Textbooks and Related Materials To Facilitate the Integration of Applied Academic Skills in Vocational Programs.

    ERIC Educational Resources Information Center

    O'Connor, Patrick J.

    This catalogue identifies materials that are currently available to vocational teachers for integrating math, science, or language arts into the vocational curriculum. It contains over 100 citations of textbooks, videos, and computer software. The citations include a concise description of the material, the format, the supplier, and price/order…

  14. Proceedings ICASS 2017

    NASA Astrophysics Data System (ADS)

    Fu, Qiang; Schaaf, Peter

    2018-07-01

    This special issue of the high impact international peer reviewed journal Applied Surface Science represents the proceedings of the 2nd International Conference on Applied Surface Science ICASS held 12-16 June 2017 in Dalian China. The conference provided a forum for researchers in all areas of applied surface science to present their work. The main topics of the conference are in line with the most popular areas of research reported in Applied Surface Science. Thus, this issue includes current research on the role and use of surfaces in chemical and physical processes, related to catalysis, electrochemistry, surface engineering and functionalization, biointerfaces, semiconductors, 2D-layered materials, surface nanotechnology, energy, new/functional materials and nanotechnology. Also the various techniques and characterization methods will be discussed. Hence, scientific research on the atomic and molecular level of material properties investigated with specific surface analytical techniques and/or computational methods is essential for any further progress in these fields.

  15. NASA Tech Briefs, September 2000. Volume 24, No. 9

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Topics include: Sensors; Test and Measurement; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Bio-Medical; semiconductors/ICs; Books and Reports.

  16. CDAC Student Report: Summary of LLNL Internship

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

    Herriman, Jane E.

    Multiple objectives motivated me to apply for an internship at LLNL: I wanted to experience the work environment at a national lab, to learn about research and job opportunities at LLNL in particular, and to gain greater experience with code development, particularly within the realm of high performance computing (HPC). This summer I was selected to participate in LLNL's Computational Chemistry and Material Science Summer Institute (CCMS). CCMS is a 10 week program hosted by the Quantum Simulations group leader, Dr. Eric Schwegler. CCMS connects graduate students to mentors at LLNL involved in similar re- search and provides weekly seminarsmore » on a broad array of topics from within chemistry and materials science. Dr. Xavier Andrade and Dr. Erik Draeger served as my co-mentors over the summer, and Dr. Andrade continues to mentor me now that CCMS has concluded. Dr. Andrade is a member of the Quantum Simulations group within the Physical and Life Sciences at LLNL, and Dr. Draeger leads the HPC group within the Center for Applied Scientific Computing (CASC). The two have worked together to develop Qb@ll, an open-source first principles molecular dynamics code that was the platform for my summer research project.« less

  17. 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.

  18. Computer Simulation of Compression and Energy Release upon Laser Irradiation of Cylindrically Symmetric Target

    NASA Astrophysics Data System (ADS)

    Kuzenov, V. V.

    2017-12-01

    The paper is devoted to the theoretical and computational study of compression and energy release for magneto-inertial plasma confinement. This approach makes it possible to create new high-density plasma sources, apply them in materials science experiments, and use them in promising areas of power engineering.

  19. Where Computer Science and Cultural Studies Collide

    ERIC Educational Resources Information Center

    Kirschenbaum, Matthew

    2009-01-01

    Most users have no more knowledge of what their computer or code is actually doing than most automobile owners have of their carburetor or catalytic converter. Nor is any such knowledge necessarily needed. But for academics, driven by an increasing emphasis on the materiality of new media--that is, the social, cultural, and economic factors…

  20. Students' explanations in complex learning of disciplinary programming

    NASA Astrophysics Data System (ADS)

    Vieira, Camilo

    Computational Science and Engineering (CSE) has been denominated as the third pillar of science and as a set of important skills to solve the problems of a global society. Along with the theoretical and the experimental approaches, computation offers a third alternative to solve complex problems that require processing large amounts of data, or representing complex phenomena that are not easy to experiment with. Despite the relevance of CSE, current professionals and scientists are not well prepared to take advantage of this set of tools and methods. Computation is usually taught in an isolated way from engineering disciplines, and therefore, engineers do not know how to exploit CSE affordances. This dissertation intends to introduce computational tools and methods contextualized within the Materials Science and Engineering curriculum. Considering that learning how to program is a complex task, the dissertation explores effective pedagogical practices that can support student disciplinary and computational learning. Two case studies will be evaluated to identify the characteristics of effective worked examples in the context of CSE. Specifically, this dissertation explores students explanations of these worked examples in two engineering courses with different levels of transparency: a programming course in materials science and engineering glass box and a thermodynamics course involving computational representations black box. Results from this study suggest that students benefit in different ways from writing in-code comments. These benefits include but are not limited to: connecting xv individual lines of code to the overall problem, getting familiar with the syntax, learning effective algorithm design strategies, and connecting computation with their discipline. Students in the glass box context generate higher quality explanations than students in the black box context. These explanations are related to students prior experiences. Specifically, students with low ability to do programming engage in a more thorough explanation process than students with high ability. This dissertation concludes proposing an adaptation to the instructional principles of worked-examples for the context of CSE education.

  1. OPENING REMARKS: SciDAC: Scientific Discovery through Advanced Computing

    NASA Astrophysics Data System (ADS)

    Strayer, Michael

    2005-01-01

    Good morning. Welcome to SciDAC 2005 and San Francisco. SciDAC is all about computational science and scientific discovery. In a large sense, computational science characterizes SciDAC and its intent is change. It transforms both our approach and our understanding of science. It opens new doors and crosses traditional boundaries while seeking discovery. In terms of twentieth century methodologies, computational science may be said to be transformational. There are a number of examples to this point. First are the sciences that encompass climate modeling. The application of computational science has in essence created the field of climate modeling. This community is now international in scope and has provided precision results that are challenging our understanding of our environment. A second example is that of lattice quantum chromodynamics. Lattice QCD, while adding precision and insight to our fundamental understanding of strong interaction dynamics, has transformed our approach to particle and nuclear science. The individual investigator approach has evolved to teams of scientists from different disciplines working side-by-side towards a common goal. SciDAC is also undergoing a transformation. This meeting is a prime example. Last year it was a small programmatic meeting tracking progress in SciDAC. This year, we have a major computational science meeting with a variety of disciplines and enabling technologies represented. SciDAC 2005 should position itself as a new corner stone for Computational Science and its impact on science. As we look to the immediate future, FY2006 will bring a new cycle to SciDAC. Most of the program elements of SciDAC will be re-competed in FY2006. The re-competition will involve new instruments for computational science, new approaches for collaboration, as well as new disciplines. There will be new opportunities for virtual experiments in carbon sequestration, fusion, and nuclear power and nuclear waste, as well as collaborations with industry and virtual prototyping. New instruments of collaboration will include institutes and centers while summer schools, workshops and outreach will invite new talent and expertise. Computational science adds new dimensions to science and its practice. Disciplines of fusion, accelerator science, and combustion are poised to blur the boundaries between pure and applied science. As we open the door into FY2006 we shall see a landscape of new scientific challenges: in biology, chemistry, materials, and astrophysics to name a few. The enabling technologies of SciDAC have been transformational as drivers of change. Planning for major new software systems assumes a base line employing Common Component Architectures and this has become a household word for new software projects. While grid algorithms and mesh refinement software have transformed applications software, data management and visualization have transformed our understanding of science from data. The Gordon Bell prize now seems to be dominated by computational science and solvers developed by TOPS ISIC. The priorities of the Office of Science in the Department of Energy are clear. The 20 year facilities plan is driven by new science. High performance computing is placed amongst the two highest priorities. Moore's law says that by the end of the next cycle of SciDAC we shall have peta-flop computers. The challenges of petascale computing are enormous. These and the associated computational science are the highest priorities for computing within the Office of Science. Our effort in Leadership Class computing is just a first step towards this goal. Clearly, computational science at this scale will face enormous challenges and possibilities. Performance evaluation and prediction will be critical to unraveling the needed software technologies. We must not lose sight of our overarching goal—that of scientific discovery. Science does not stand still and the landscape of science discovery and computing holds immense promise. In this environment, I believe it is necessary to institute a system of science based performance metrics to help quantify our progress towards science goals and scientific computing. As a final comment I would like to reaffirm that the shifting landscapes of science will force changes to our computational sciences, and leave you with the quote from Richard Hamming, 'The purpose of computing is insight, not numbers'.

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

    None, None

    The Second SIAM Conference on Computational Science and Engineering was held in San Diego from February 10-12, 2003. Total conference attendance was 553. This is a 23% increase in attendance over the first conference. The focus of this conference was to draw attention to the tremendous range of major computational efforts on large problems in science and engineering, to promote the interdisciplinary culture required to meet these large-scale challenges, and to encourage the training of the next generation of computational scientists. Computational Science & Engineering (CS&E) is now widely accepted, along with theory and experiment, as a crucial third modemore » of scientific investigation and engineering design. Aerospace, automotive, biological, chemical, semiconductor, and other industrial sectors now rely on simulation for technical decision support. For federal agencies also, CS&E has become an essential support for decisions on resources, transportation, and defense. CS&E is, by nature, interdisciplinary. It grows out of physical applications and it depends on computer architecture, but at its heart are powerful numerical algorithms and sophisticated computer science techniques. From an applied mathematics perspective, much of CS&E has involved analysis, but the future surely includes optimization and design, especially in the presence of uncertainty. Another mathematical frontier is the assimilation of very large data sets through such techniques as adaptive multi-resolution, automated feature search, and low-dimensional parameterization. The themes of the 2003 conference included, but were not limited to: Advanced Discretization Methods; Computational Biology and Bioinformatics; Computational Chemistry and Chemical Engineering; Computational Earth and Atmospheric Sciences; Computational Electromagnetics; Computational Fluid Dynamics; Computational Medicine and Bioengineering; Computational Physics and Astrophysics; Computational Solid Mechanics and Materials; CS&E Education; Meshing and Adaptivity; Multiscale and Multiphysics Problems; Numerical Algorithms for CS&E; Discrete and Combinatorial Algorithms for CS&E; Inverse Problems; Optimal Design, Optimal Control, and Inverse Problems; Parallel and Distributed Computing; Problem-Solving Environments; Software and Wddleware Systems; Uncertainty Estimation and Sensitivity Analysis; and Visualization and Computer Graphics.« less

  3. Research and technology at the Kennedy Space Center

    NASA Technical Reports Server (NTRS)

    1983-01-01

    Cryogenic engineering, hypergolic engineering, hazardous warning, structures and mechanics, computer sciences, communications, meteorology, technology applications, safety engineering, materials analysis, biomedicine, and engineering management and training aids research are reviewed.

  4. Real science at the petascale.

    PubMed

    Saksena, Radhika S; Boghosian, Bruce; Fazendeiro, Luis; Kenway, Owain A; Manos, Steven; Mazzeo, Marco D; Sadiq, S Kashif; Suter, James L; Wright, David; Coveney, Peter V

    2009-06-28

    We describe computational science research that uses petascale resources to achieve scientific results at unprecedented scales and resolution. The applications span a wide range of domains, from investigation of fundamental problems in turbulence through computational materials science research to biomedical applications at the forefront of HIV/AIDS research and cerebrovascular haemodynamics. This work was mainly performed on the US TeraGrid 'petascale' resource, Ranger, at Texas Advanced Computing Center, in the first half of 2008 when it was the largest computing system in the world available for open scientific research. We have sought to use this petascale supercomputer optimally across application domains and scales, exploiting the excellent parallel scaling performance found on up to at least 32 768 cores for certain of our codes in the so-called 'capability computing' category as well as high-throughput intermediate-scale jobs for ensemble simulations in the 32-512 core range. Furthermore, this activity provides evidence that conventional parallel programming with MPI should be successful at the petascale in the short to medium term. We also report on the parallel performance of some of our codes on up to 65 636 cores on the IBM Blue Gene/P system at the Argonne Leadership Computing Facility, which has recently been named the fastest supercomputer in the world for open science.

  5. Mathematics and statistics research progress report, period ending June 30, 1983

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

    Beauchamp, J. J.; Denson, M. V.; Heath, M. T.

    1983-08-01

    This report is the twenty-sixth in the series of progress reports of Mathematics and Statistics Research of the Computer Sciences organization, Union Carbide Corporation Nuclear Division. Part A records research progress in analysis of large data sets, applied analysis, biometrics research, computational statistics, materials science applications, numerical linear algebra, and risk analysis. Collaboration and consulting with others throughout the Oak Ridge Department of Energy complex are recorded in Part B. Included are sections on biological sciences, energy, engineering, environmental sciences, health and safety, and safeguards. Part C summarizes the various educational activities in which the staff was engaged. Part Dmore » lists the presentations of research results, and Part E records the staff's other professional activities during the report period.« less

  6. First principles statistical mechanics of alloys and magnetism

    NASA Astrophysics Data System (ADS)

    Eisenbach, Markus; Khan, Suffian N.; Li, Ying Wai

    Modern high performance computing resources are enabling the exploration of the statistical physics of phase spaces with increasing size and higher fidelity of the Hamiltonian of the systems. For selected systems, this now allows the combination of Density Functional based first principles calculations with classical Monte Carlo methods for parameter free, predictive thermodynamics of materials. We combine our locally selfconsistent real space multiple scattering method for solving the Kohn-Sham equation with Wang-Landau Monte-Carlo calculations (WL-LSMS). In the past we have applied this method to the calculation of Curie temperatures in magnetic materials. Here we will present direct calculations of the chemical order - disorder transitions in alloys. We present our calculated transition temperature for the chemical ordering in CuZn and the temperature dependence of the short-range order parameter and specific heat. Finally we will present the extension of the WL-LSMS method to magnetic alloys, thus allowing the investigation of the interplay of magnetism, structure and chemical order in ferrous alloys. This research was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division and it used Oak Ridge Leadership Computing Facility resources at Oak Ridge National Laboratory.

  7. The Technical Information Library: TIB

    NASA Technical Reports Server (NTRS)

    Rosemann, Uwe

    1994-01-01

    The Technische Informationsbibliothek Hannover (TIB) is the German national central library for all areas of technology and related sciences, especially chemistry, computer science, mathematics, and physics. The TIB acquires and makes available a comprehensive collection of conventional and non-conventional literature, especially foreign material, with particular emphasis on specialized new publications which are difficult to obtain or in difficult languages.

  8. Aeronautical engineering: A continuing bibliography with indexes (supplement 280)

    NASA Technical Reports Server (NTRS)

    1992-01-01

    This bibliography lists 647 reports, articles, and other documents introduced into the NASA scientific and technical information system in June, 1991. Subject coverage includes: aerodynamics, air transportation safety, aircraft communication and navigation, aircraft design and performance, aircraft instrumentation, aircraft propulsion, aircraft stability and control, research facilities, astronautics, chemistry and materials, engineering, geosciences, computer sciences, physics, and social sciences.

  9. Technology 2001: The Second National Technology Transfer Conference and Exposition, volume 1

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Papers from the technical sessions of the Technology 2001 Conference and Exposition are presented. The technical sessions featured discussions of advanced manufacturing, artificial intelligence, biotechnology, computer graphics and simulation, communications, data and information management, electronics, electro-optics, environmental technology, life sciences, materials science, medical advances, robotics, software engineering, and test and measurement.

  10. Data Archives for the Social Sciences: Purposes, Operations and Problems.

    ERIC Educational Resources Information Center

    Nasatir, David

    Social science data, existing in a format that can be manipulated by computing machinery, can be used for many purposes in addition to those for which they were initially collected. Scholars and government planners should hve ready and equal access to such material and these groups will be best served if they are informed regarding the…

  11. FOREWORD: Focus on Combinatorial Materials Science Focus on Combinatorial Materials Science

    NASA Astrophysics Data System (ADS)

    Chikyo, Toyohiro

    2011-10-01

    About 15 years have passed since the introduction of modern combinatorial synthesis and high-throughput techniques for the development of novel inorganic materials; however, similar methods existed before. The most famous was reported in 1970 by Hanak who prepared composition-spread films of metal alloys by sputtering mixed-material targets. Although this method was innovative, it was rarely used because of the large amount of data to be processed. This problem is solved in the modern combinatorial material research, which is strongly related to computer data analysis and robotics. This field is still at the developing stage and may be enriched by new methods. Nevertheless, given the progress in measurement equipment and procedures, we believe the combinatorial approach will become a major and standard tool of materials screening and development. The first article of this journal, published in 2000, was titled 'Combinatorial solid state materials science and technology', and this focus issue aims to reintroduce this topic to the Science and Technology of Advanced Materials audience. It covers recent progress in combinatorial materials research describing new results in catalysis, phosphors, polymers and metal alloys for shape memory materials. Sophisticated high-throughput characterization schemes and innovative synthesis tools are also presented, such as spray deposition using nanoparticles or ion plating. On a technical note, data handling systems are introduced to familiarize researchers with the combinatorial methodology. We hope that through this focus issue a wide audience of materials scientists can learn about recent and future trends in combinatorial materials science and high-throughput experimentation.

  12. Computer-aided discovery of a metal-organic framework with superior oxygen uptake.

    PubMed

    Moghadam, Peyman Z; Islamoglu, Timur; Goswami, Subhadip; Exley, Jason; Fantham, Marcus; Kaminski, Clemens F; Snurr, Randall Q; Farha, Omar K; Fairen-Jimenez, David

    2018-04-11

    Current advances in materials science have resulted in the rapid emergence of thousands of functional adsorbent materials in recent years. This clearly creates multiple opportunities for their potential application, but it also creates the following challenge: how does one identify the most promising structures, among the thousands of possibilities, for a particular application? Here, we present a case of computer-aided material discovery, in which we complete the full cycle from computational screening of metal-organic framework materials for oxygen storage, to identification, synthesis and measurement of oxygen adsorption in the top-ranked structure. We introduce an interactive visualization concept to analyze over 1000 unique structure-property plots in five dimensions and delimit the relationships between structural properties and oxygen adsorption performance at different pressures for 2932 already-synthesized structures. We also report a world-record holding material for oxygen storage, UMCM-152, which delivers 22.5% more oxygen than the best known material to date, to the best of our knowledge.

  13. Mathematics and statistics research department. Progress report, period ending June 30, 1981

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

    Lever, W.E.; Kane, V.E.; Scott, D.S.

    1981-09-01

    This report is the twenty-fourth in the series of progress reports of the Mathematics and Statistics Research Department of the Computer Sciences Division, Union Carbide Corporation - Nuclear Division (UCC-ND). Part A records research progress in biometrics research, materials science applications, model evaluation, moving boundary problems, multivariate analysis, numerical linear algebra, risk analysis, and complementary areas. Collaboration and consulting with others throughout the UCC-ND complex are recorded in Part B. Included are sections on biology and health sciences, chemistry, energy, engineering, environmental sciences, health and safety research, materials sciences, safeguards, surveys, and uranium resource evaluation. Part C summarizes the variousmore » educational activities in which the staff was engaged. Part D lists the presentations of research results, and Part E records the staff's other professional activities during the report period.« less

  14. An introduction to interactive hypermedia.

    PubMed

    Lynch, P J; Jaffe, C C

    1990-01-01

    Current computers can create and display documents that incorporate a variety of audiovisual media, and can be organized to allow the user, guided by curiosity and not by a fixed path through the material, to move through the information in non-linear pathways. These hypermedia documents and the concept of hypertext offer significant new possibilities for the creation of educational materials for the biomedical sciences. If the full capabilities of the computer are to be used to enhance the educational experience for learners, computer professionals need to collaborate with publishing and teaching professionals. Biomedical communications professionals can and should play a role in establishing and evaluating hypermedia documents for medical education.

  15. UC Merced Center for Computational Biology Final Report

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

    Colvin, Michael; Watanabe, Masakatsu

    Final report for the UC Merced Center for Computational Biology. The Center for Computational Biology (CCB) was established to support multidisciplinary scientific research and academic programs in computational biology at the new University of California campus in Merced. In 2003, the growing gap between biology research and education was documented in a report from the National Academy of Sciences, Bio2010 Transforming Undergraduate Education for Future Research Biologists. We believed that a new type of biological sciences undergraduate and graduate programs that emphasized biological concepts and considered biology as an information science would have a dramatic impact in enabling the transformationmore » of biology. UC Merced as newest UC campus and the first new U.S. research university of the 21st century was ideally suited to adopt an alternate strategy - to create a new Biological Sciences majors and graduate group that incorporated the strong computational and mathematical vision articulated in the Bio2010 report. CCB aimed to leverage this strong commitment at UC Merced to develop a new educational program based on the principle of biology as a quantitative, model-driven science. Also we expected that the center would be enable the dissemination of computational biology course materials to other university and feeder institutions, and foster research projects that exemplify a mathematical and computations-based approach to the life sciences. As this report describes, the CCB has been successful in achieving these goals, and multidisciplinary computational biology is now an integral part of UC Merced undergraduate, graduate and research programs in the life sciences. The CCB began in fall 2004 with the aid of an award from U.S. Department of Energy (DOE), under its Genomes to Life program of support for the development of research and educational infrastructure in the modern biological sciences. This report to DOE describes the research and academic programs made possible by the CCB from its inception until August, 2010, at the end of the final extension. Although DOE support for the center ended in August 2010, the CCB will continue to exist and support its original objectives. The research and academic programs fostered by the CCB have led to additional extramural funding from other agencies, and we anticipate that CCB will continue to provide support for quantitative and computational biology program at UC Merced for many years to come. Since its inception in fall 2004, CCB research projects have continuously had a multi-institutional collaboration with Lawrence Livermore National Laboratory (LLNL), and the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, as well as individual collaborators at other sites. CCB affiliated faculty cover a broad range of computational and mathematical research including molecular modeling, cell biology, applied math, evolutional biology, bioinformatics, etc. The CCB sponsored the first distinguished speaker series at UC Merced, which had an important role is spreading the word about the computational biology emphasis at this new campus. One of CCB's original goals is to help train a new generation of biologists who bridge the gap between the computational and life sciences. To archive this goal, by summer 2006, a new program - summer undergraduate internship program, have been established under CCB to train the highly mathematical and computationally intensive Biological Science researchers. By the end of summer 2010, 44 undergraduate students had gone through this program. Out of those participants, 11 students have been admitted to graduate schools and 10 more students are interested in pursuing graduate studies in the sciences. The center is also continuing to facilitate the development and dissemination of undergraduate and graduate course materials based on the latest research in computational biology.« less

  16. NASA Tech Briefs, April 1998. Volume 22, No. 4

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Topics include: special coverage on video and imaging, electronic components and circuits, electronic systems, physical sciences, materials, computer software, mechanics, machinery/automation, and a special section of Photonics Tech Briefs.

  17. The 1987 RIACS annual report

    NASA Technical Reports Server (NTRS)

    1987-01-01

    The Research Institute for Advanced Computer Science (RIACS) was established at the NASA Ames Research Center in June of 1983. RIACS is privately operated by the Universities Space Research Association (USRA), a consortium of 64 universities with graduate programs in the aerospace sciences, under several Cooperative Agreements with NASA. RIACS's goal is to provide preeminent leadership in basic and applied computer science research as partners in support of NASA's goals and missions. In pursuit of this goal, RIACS contributes to several of the grand challenges in science and engineering facing NASA: flying an airplane inside a computer; determining the chemical properties of materials under hostile conditions in the atmospheres of earth and the planets; sending intelligent machines on unmanned space missions; creating a one-world network that makes all scientific resources, including those in space, accessible to all the world's scientists; providing intelligent computational support to all stages of the process of scientific investigation from problem formulation to results dissemination; and developing accurate global models for climatic behavior throughout the world. In working with these challenges, we seek novel architectures, and novel ways to use them, that exploit the potential of parallel and distributed computation and make possible new functions that are beyond the current reach of computing machines. The investigation includes pattern computers as well as the more familiar numeric and symbolic computers, and it includes networked systems of resources distributed around the world. We believe that successful computer science research is interdisciplinary: it is driven by (and drives) important problems in other disciplines. We believe that research should be guided by a clear long-term vision with planned milestones. And we believe that our environment must foster and exploit innovation. Our activities and accomplishments for the calendar year 1987 and our plans for 1988 are reported.

  18. High Performance Active Database Management on a Shared-Nothing Parallel Processor

    DTIC Science & Technology

    1998-05-01

    either stored or virtual. A stored node is like a materialized view. It actually contains the specified tuples. A virtual node is like a real view...90292-6695 DL-5 COLUMBIA UNIV/DEPT COMPUTER SCIENCi ATTN: OR GAIL £. KAISER 450 COMPUTER SCIENCE 3LDG 500 WEST 12ÖTH STRSET NEW YORK NY 10027

  19. 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

  20. GW Calculations of Materials on the Intel Xeon-Phi Architecture

    NASA Astrophysics Data System (ADS)

    Deslippe, Jack; da Jornada, Felipe H.; Vigil-Fowler, Derek; Biller, Ariel; Chelikowsky, James R.; Louie, Steven G.

    Intel Xeon-Phi processors are expected to power a large number of High-Performance Computing (HPC) systems around the United States and the world in the near future. We evaluate the ability of GW and pre-requisite Density Functional Theory (DFT) calculations for materials on utilizing the Xeon-Phi architecture. We describe the optimization process and performance improvements achieved. We find that the GW method, like other higher level Many-Body methods beyond standard local/semilocal approximations to Kohn-Sham DFT, is particularly well suited for many-core architectures due to the ability to exploit a large amount of parallelism over plane-waves, band-pairs and frequencies. Support provided by the SCIDAC program, Department of Energy, Office of Science, Advanced Scientic Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-AC02-05CH11231 (LBNL).

  1. Langley Aerospace Research Summer Scholars. Part 2

    NASA Technical Reports Server (NTRS)

    Schwan, Rafaela (Compiler)

    1995-01-01

    The Langley Aerospace Research Summer Scholars (LARSS) Program was established by Dr. Samuel E. Massenberg in 1986. The program has increased from 20 participants in 1986 to 114 participants in 1995. The program is LaRC-unique and is administered by Hampton University. The program was established for the benefit of undergraduate juniors and seniors and first-year graduate students who are pursuing degrees in aeronautical engineering, mechanical engineering, electrical engineering, material science, computer science, atmospheric science, astrophysics, physics, and chemistry. Two primary elements of the LARSS Program are: (1) a research project to be completed by each participant under the supervision of a researcher who will assume the role of a mentor for the summer, and (2) technical lectures by prominent engineers and scientists. Additional elements of this program include tours of LARC wind tunnels, computational facilities, and laboratories. Library and computer facilities will be available for use by the participants.

  2. Technical Reports: Langley Aerospace Research Summer Scholars. Part 1

    NASA Technical Reports Server (NTRS)

    Schwan, Rafaela (Compiler)

    1995-01-01

    The Langley Aerospace Research Summer Scholars (LARSS) Program was established by Dr. Samuel E. Massenberg in 1986. The program has increased from 20 participants in 1986 to 114 participants in 1995. The program is LaRC-unique and is administered by Hampton University. The program was established for the benefit of undergraduate juniors and seniors and first-year graduate students who are pursuing degrees in aeronautical engineering, mechanical engineering, electrical engineering, material science, computer science, atmospheric science, astrophysics, physics, and chemistry. Two primary elements of the LARSS Program are: (1) a research project to be completed by each participant under the supervision of a researcher who will assume the role of a mentor for the summer, and (2) technical lectures by prominent engineers and scientists. Additional elements of this program include tours of LARC wind tunnels, computational facilities, and laboratories. Library and computer facilities will be available for use by the participants.

  3. Materials Science Research Rack-1 (MSRR-1)

    NASA Technical Reports Server (NTRS)

    2001-01-01

    This computer-generated image depicts the Materials Science Research Rack-1 (MSRR-1) being developed by NASA's Marshall Space Flight Center and the European Space Agency (ESA) for placement in the Destiny laboratory module aboard the International Space Station. The rack is part of the plarned Materials Science Research Facility (MSRF) and is expected to include two furnace module inserts, a Quench Module Insert (being developed by NASA's Marshall Space Flight Center) to study directional solidification in rapidly cooled alloys and a Diffusion Module Insert (being developed by the European Space Agency) to study crystal growth, and a transparent furnace (being developed by NASA's Space Product Development program). Multi-user equipment in the rack is being developed under the auspices of NASA's Office of Biological and Physical Research (OBPR) and ESA. Key elements are labeled in other images (0101754, 0101829, 0101830, and TBD).

  4. Materials Science Research Rack-1 (MSRR-1)

    NASA Technical Reports Server (NTRS)

    2001-01-01

    This computer-generated image depicts the Materials Science Research Rack-1 (MSRR-1) being developed by NASA's Marshall Space Flight Center and the European Space Agency (ESA) for placement in the Destiny laboratory module aboard the International Space Station. The rack is part of the plarned Materials Science Research Facility (MSRF) and is expected to include two furnace module inserts, a Quench Module Insert (being developed by NASA's Marshall Space Flight Center) to study directional solidification in rapidly cooled alloys and a Diffusion Module Insert (being developed by the European Space Agency) to study crystal growth, and a transparent furnace (being developed by NASA's Space Product Development program). Multi-user equipment in the rack is being developed under the auspices of NASA's Office of Biological and Physical Research (OBPR) and ESA. A larger image is available without labels (No. 0101755).

  5. Materials Science Research Rack-1 (MSRR-1)

    NASA Technical Reports Server (NTRS)

    2001-01-01

    This computer-generated image depicts the Materials Science Research Rack-1 (MSRR-1) being developed by NASA's Marshall Space Flight Center and the European Space Agency (ESA) for placement in the Destiny laboratory module aboard the International Space Station. The rack is part of the plarned Materials Science Research Facility (MSRF) and is expected to include two furnace module inserts, a Quench Module Insert (being developed by NASA's Marshall Space Flight Center) to study directional solidification in rapidly cooled alloys and a Diffusion Module Insert (being developed by the European Space Agency) to study crystal growth, and a transparent furnace (being developed by NASA's Space Product Development program). Multi-user equipment in the rack is being developed under the auspices of NASA's Office of Biological and Physical Research (OBPR) and ESA. Key elements are labeled in other images (0101754, 0101830, and TBD).

  6. Materials Science Research Rack-1 (MSRR-1)

    NASA Technical Reports Server (NTRS)

    2001-01-01

    This computer-generated image depicts the Materials Science Research Rack-1 (MSRR-1) being developed by NASA's Marshall Space Flight Center and the European Space Agency (ESA) for placement in the Destiny laboratory module aboard the International Space Station. The rack is part of the plarned Materials Science Research Facility (MSRF) and is expected to include two furnace module inserts, a Quench Module Insert (being developed by NASA's Marshall Space Flight Center) to study directional solidification in rapidly cooled alloys and a Diffusion Module Insert (being developed by the European Space Agency) to study crystal growth, and a transparent furnace (being developed by NASA's Space Product Development program). Multi-user equipment in the rack is being developed under the auspices of NASA's Office of Biological and Physical Research (OBPR) and ESA. Key elements are labeled in other images (0101754, 0101829, 0101830).

  7. Aeronautical engineering: A continuing bibliography with indexes (supplement 316)

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This bibliography lists 413 reports, articles, and other documents introduced into the NASA scientific and technical information system in April 1995. Subject coverage includes: aeronautics; mathematical and computer sciences; chemistry and material sciences; geosciences; design, construction and testing of aircraft and aircraft engines; aircraft components, equipment, and systems; ground support systems; and theoretical and applied aspects of aerodynamics and general fluid dynamics.

  8. NETL Crosscutting Research Video Series: Multiphase Flow

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

    Li, Tingwen; Vaidheeswaran, Avinash

    For over 30 years, NETL’s work in multiphase flow science has served as one of the cornerstones of the lab’s research portfolio. Multiphase flow refers to the simultaneous flow of gases, liquids and/or solid materials. The goal of the multiphase flow science team is to provide computational modeling tools to help offset the risk and cost of multiphase reactor development.

  9. Availability of School Resources and TIMSS Grade 8 Students' Science Achievement: A Comparative Study between Malaysia and Singapore

    ERIC Educational Resources Information Center

    Lay, Yoon Fah; Chandrasegaran, A. L.

    2016-01-01

    Studies have shown that resources are crucial for improving schooling, perhaps even more so in developing countries than in economically developed countries, where adequate school structures and material resources may be taken for granted. Recent research reviews suggest that computer use continues to grow in mathematics and science instruction,…

  10. DFT, Its Impact on Condensed Matter and on ``Materials-Genome'' Research

    NASA Astrophysics Data System (ADS)

    Scheffler, Matthias

    About 40 years ago, two seminal works demonstrated the power of density-functional theory (DFT) for real materials. These studies by Moruzzi, Janak, and Williams on metals and Yin and Cohen on semiconductors visualized the spatial distribution of electrons, predicted the equation of state of solids, crystal stability, pressure-induced phase transitions, and more. They also stressed the importance of identifying trends by looking at many systems (e.g. the whole transition-metal series). Since then, the field has seen numerous applications of DFT to solids, liquids, defects, surfaces, and interfaces providing important descriptions and explanations as well as predictions of experimentally not yet identified systems. - ∖ ∖ About 10 years ago, G. Ceder and his group [Ref. 3 and references therein] started with high-throughput screening calculations in the spirit of what in 2011 became the ``Materials Genome Initiative''. The idea of high-throughput screening is old (a key example is the ammonia catalyst found by A. Mittasch at BASF more than 100 years ago), but it is now increasingly becoming clear that big data of materials does not only provide direct information but that the data is structured. This enables interpolation, (modest) extrapolation, and new routes towards understanding [Ref. 5 and references therein]. - ∖ ∖ The amount of data created by ``computational materials science'' is significant. For instance, the NoMaD Repository (which includes also data from other repositories, e.g. AFLOWLIB and OQMD) now holds more than 18 million total-energy calculations. In fact, the amount of data of computational materials science is steadily increasing, and about hundred million CPU core hours are nowadays used every day, worldwide, for DFT calculations for materials. - ∖ ∖ The talk will summarize this enormous impact of DFT on materials science, and it will address the next steps, e.g. the issue how to exploit big data of materials for doing forefront research, how to find (hidden) structure in the data in order to advance materials science, identify new scientific phenomena, and to provide support towards industrial applications. The NOMAD Laboratory Center of Excellence, European Union's Horizon 2020 research and innovation program, Grant agreement no. 676580.

  11. Advanced Scientific Computing Research Exascale Requirements Review. An Office of Science review sponsored by Advanced Scientific Computing Research, September 27-29, 2016, Rockville, Maryland

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

    Almgren, Ann; DeMar, Phil; Vetter, Jeffrey

    The widespread use of computing in the American economy would not be possible without a thoughtful, exploratory research and development (R&D) community pushing the performance edge of operating systems, computer languages, and software libraries. These are the tools and building blocks — the hammers, chisels, bricks, and mortar — of the smartphone, the cloud, and the computing services on which we rely. Engineers and scientists need ever-more specialized computing tools to discover new material properties for manufacturing, make energy generation safer and more efficient, and provide insight into the fundamentals of the universe, for example. The research division of themore » U.S. Department of Energy’s (DOE’s) Office of Advanced Scientific Computing and Research (ASCR Research) ensures that these tools and building blocks are being developed and honed to meet the extreme needs of modern science. See also http://exascaleage.org/ascr/ for additional information.« less

  12. 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.

  13. Root-cause estimation of ultrasonic scattering signatures within a complex textured titanium

    NASA Astrophysics Data System (ADS)

    Blackshire, James L.; Na, Jeong K.; Freed, Shaun

    2016-02-01

    The nondestructive evaluation of polycrystalline materials has been an active area of research for many decades, and continues to be an area of growth in recent years. Titanium alloys in particular have become a critical material system used in modern turbine engine applications, where an evaluation of the local microstructure properties of engine disk/blade components is desired for performance and remaining life assessments. Current NDE methods are often limited to estimating ensemble material properties or detecting localized voids, inclusions, or damage features within a material. Recent advances in computational NDE and material science characterization methods are providing new and unprecedented access to heterogeneous material properties, which permits microstructure-sensing interactions to be studied in detail. In the present research, Integrated Computational Materials Engineering (ICME) methods and tools are being leveraged to gain a comprehensive understanding of root-cause ultrasonic scattering processes occurring within a textured titanium aerospace material. A combination of destructive, nondestructive, and computational methods are combined within the ICME framework to collect, holistically integrate, and study complex ultrasound scattering using realistic 2-dimensional representations of the microstructure properties. Progress towards validating the computational sensing methods are discussed, along with insight into the key scattering processes occurring within the bulk microstructure, and how they manifest in pulse-echo immersion ultrasound measurements.

  14. 1996 Laboratory directed research and development annual report

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

    Meyers, C.E.; Harvey, C.L.; Lopez-Andreas, L.M.

    This report summarizes progress from the Laboratory Directed Research and Development (LDRD) program during fiscal year 1996. In addition to a programmatic and financial overview, the report includes progress reports from 259 individual R&D projects in seventeen categories. The general areas of research include: engineered processes and materials; computational and information sciences; microelectronics and photonics; engineering sciences; pulsed power; advanced manufacturing technologies; biomedical engineering; energy and environmental science and technology; advanced information technologies; counterproliferation; advanced transportation; national security technology; electronics technologies; idea exploration and exploitation; production; and science at the interfaces - engineering with atoms.

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

    NONE

    This document comprises Pacific Northwest National Laboratory`s report for Fiscal Year 1996 on research and development programs. The document contains 161 project summaries in 16 areas of research and development. The 16 areas of research and development reported on are: atmospheric sciences, biotechnology, chemical instrumentation and analysis, computer and information science, ecological science, electronics and sensors, health protection and dosimetry, hydrological and geologic sciences, marine sciences, materials science and engineering, molecular science, process science and engineering, risk and safety analysis, socio-technical systems analysis, statistics and applied mathematics, and thermal and energy systems. In addition, this report provides an overview ofmore » the research and development program, program management, program funding, and Fiscal Year 1997 projects.« less

  16. ALCF Data Science Program: Productive Data-centric Supercomputing

    NASA Astrophysics Data System (ADS)

    Romero, Nichols; Vishwanath, Venkatram

    The ALCF Data Science Program (ADSP) is targeted at big data science problems that require leadership computing resources. The goal of the program is to explore and improve a variety of computational methods that will enable data-driven discoveries across all scientific disciplines. The projects will focus on data science techniques covering a wide area of discovery including but not limited to uncertainty quantification, statistics, machine learning, deep learning, databases, pattern recognition, image processing, graph analytics, data mining, real-time data analysis, and complex and interactive workflows. Project teams will be among the first to access Theta, ALCFs forthcoming 8.5 petaflops Intel/Cray system. The program will transition to the 200 petaflop/s Aurora supercomputing system when it becomes available. In 2016, four projects have been selected to kick off the ADSP. The selected projects span experimental and computational sciences and range from modeling the brain to discovering new materials for solar-powered windows to simulating collision events at the Large Hadron Collider (LHC). The program will have a regular call for proposals with the next call expected in Spring 2017.http://www.alcf.anl.gov/alcf-data-science-program This research used resources of the ALCF, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357.

  17. Student Preferences and Concerns about Supplemental Instructional Material in CS0/CS1/CS2 Courses

    ERIC Educational Resources Information Center

    Vicenti, Giovanni; Hilberg, J. Scott; Braman, James

    2017-01-01

    The concept of flipping the classroom is slowly gaining tractions at all levels of education. An ever-growing set of resources gives unprecedented access to Information Technology (IT), Computer Science (CS), and Information Systems (IS) students to a significant amount of supplemental material. Videos, interactive demonstrations, and sandboxes…

  18. 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…

  19. NASA Tech Briefs, August 2001. Volume 25, No. 8

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Topics include: special coverage section on computers and peripherals, and sections on electronic components systems, software, materials, mechanics, manufacturing/fabrication, physical sciences, book and reports, and a special section of Motion Control Tech Briefs.

  20. NASA Tech Briefs, March 2002. Volume 26, No. 3

    NASA Technical Reports Server (NTRS)

    2002-01-01

    Topics include: a special section on data acquisition, software, electronic components and systems, materials, computer programs, mechanics, machinery/automation, manufacturing, biomedical, physical sciences, book and reports, and a special section of Photonics Tech Briefs.

  1. Computational materials science: Think locally, act globally

    NASA Astrophysics Data System (ADS)

    Rabe, Karin M.

    2002-11-01

    New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a perovskite oxide, PZT. This work opens the door to understanding the exceptional physical behaviour of PZT and related systems.

  2. Preparation for microgravity - The role of the Microgravity Material Science Laboratory

    NASA Technical Reports Server (NTRS)

    Johnston, J. Christopher; Rosenthal, Bruce N.; Meyer, Maryjo B.; Glasgow, Thomas K.

    1988-01-01

    Experiments at the NASA Lewis Research Center's Microgravity Material Science Laboratory using physical and mathematical models to delineate the effects of gravity on processes of scientific and commercial interest are discussed. Where possible, transparent model systems are used to visually track convection, settling, crystal growth, phase separation, agglomeration, vapor transport, diffusive flow, and polymer reactions. Materials studied include metals, alloys, salts, glasses, ceramics, and polymers. Specific technologies discussed include the General Purpose furnace used in the study of metals and crystal growth, the isothermal dendrite growth apparatus, the electromagnetic levitator/instrumented drop tube, the high temperature directional solidification furnace, the ceramics and polymer laboratories and the center's computing facilities.

  3. Exploratory Research and Development Fund, FY 1990

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

    Not Available

    1992-05-01

    The Lawrence Berkeley Laboratory Exploratory R D Fund FY 1990 report is compiled from annual reports submitted by principal investigators following the close of the fiscal year. This report describes the projects supported and summarizes their accomplishments. It constitutes a part of an Exploratory R D Fund (ERF) planning and documentation process that includes an annual planning cycle, projection selection, implementation, and review. The research areas covered in this report are: Accelerator and fusion research; applied science; cell and molecular biology; chemical biodynamics; chemical sciences; earth sciences; engineering; information and computing sciences; materials sciences; nuclear science; physics and research medicinemore » and radiation biophysics.« less

  4. Technology Needs for Teachers Web Development and Curriculum Adaptations

    NASA Technical Reports Server (NTRS)

    Carroll, Christy J.

    1999-01-01

    Computer-based mathematics and science curricula focusing on NASA inventions and technologies will enhance current teacher knowledge and skills. Materials and interactive software developed by educators will allow students to integrate their various courses, to work cooperatively, and to collaborate with both NASA scientists and students at other locations by using computer networks, email and the World Wide Web.

  5. Computational structures technology and UVA Center for CST

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.

    1992-01-01

    Rapid advances in computer hardware have had a profound effect on various engineering and mechanics disciplines, including the materials, structures, and dynamics disciplines. A new technology, computational structures technology (CST), has recently emerged as an insightful blend between material modeling, structural and dynamic analysis and synthesis on the one hand, and other disciplines such as computer science, numerical analysis, and approximation theory, on the other hand. CST is an outgrowth of finite element methods developed over the last three decades. The focus of this presentation is on some aspects of CST which can impact future airframes and propulsion systems, as well as on the newly established University of Virginia (UVA) Center for CST. The background and goals for CST are described along with the motivations for developing CST, and a brief discussion is made on computational material modeling. We look at the future in terms of technical needs, computing environment, and research directions. The newly established UVA Center for CST is described. One of the research projects of the Center is described, and a brief summary of the presentation is given.

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

    Nikolic, R J

    This month's issue has the following articles: (1) Dawn of a New Era of Scientific Discovery - Commentary by Edward I. Moses; (2) At the Frontiers of Fundamental Science Research - Collaborators from national laboratories, universities, and international organizations are using the National Ignition Facility to probe key fundamental science questions; (3) Livermore Responds to Crisis in Post-Earthquake Japan - More than 70 Laboratory scientists provided round-the-clock expertise in radionuclide analysis and atmospheric dispersion modeling as part of the nation's support to Japan following the March 2011 earthquake and nuclear accident; (4) A Comprehensive Resource for Modeling, Simulation, and Experimentsmore » - A new Web-based resource called MIDAS is a central repository for material properties, experimental data, and computer models; and (5) Finding Data Needles in Gigabit Haystacks - Livermore computer scientists have developed a novel computer architecture based on 'persistent' memory to ease data-intensive computations.« less

  7. Interplay of multiple synaptic plasticity features in filamentary memristive devices for neuromorphic computing

    NASA Astrophysics Data System (ADS)

    La Barbera, Selina; Vincent, Adrien F.; Vuillaume, Dominique; Querlioz, Damien; Alibart, Fabien

    2016-12-01

    Bio-inspired computing represents today a major challenge at different levels ranging from material science for the design of innovative devices and circuits to computer science for the understanding of the key features required for processing of natural data. In this paper, we propose a detail analysis of resistive switching dynamics in electrochemical metallization cells for synaptic plasticity implementation. We show how filament stability associated to joule effect during switching can be used to emulate key synaptic features such as short term to long term plasticity transition and spike timing dependent plasticity. Furthermore, an interplay between these different synaptic features is demonstrated for object motion detection in a spike-based neuromorphic circuit. System level simulation presents robust learning and promising synaptic operation paving the way to complex bio-inspired computing systems composed of innovative memory devices.

  8. 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).

  9. PREFACE: High Performance Computing Symposium 2011

    NASA Astrophysics Data System (ADS)

    Talon, Suzanne; Mousseau, Normand; Peslherbe, Gilles; Bertrand, François; Gauthier, Pierre; Kadem, Lyes; Moitessier, Nicolas; Rouleau, Guy; Wittig, Rod

    2012-02-01

    HPCS (High Performance Computing Symposium) is a multidisciplinary conference that focuses on research involving High Performance Computing and its application. Attended by Canadian and international experts and renowned researchers in the sciences, all areas of engineering, the applied sciences, medicine and life sciences, mathematics, the humanities and social sciences, it is Canada's pre-eminent forum for HPC. The 25th edition was held in Montréal, at the Université du Québec à Montréal, from 15-17 June and focused on HPC in Medical Science. The conference was preceded by tutorials held at Concordia University, where 56 participants learned about HPC best practices, GPU computing, parallel computing, debugging and a number of high-level languages. 274 participants from six countries attended the main conference, which involved 11 invited and 37 contributed oral presentations, 33 posters, and an exhibit hall with 16 booths from our sponsors. The work that follows is a collection of papers presented at the conference covering HPC topics ranging from computer science to bioinformatics. They are divided here into four sections: HPC in Engineering, Physics and Materials Science, HPC in Medical Science, HPC Enabling to Explore our World and New Algorithms for HPC. We would once more like to thank the participants and invited speakers, the members of the Scientific Committee, the referees who spent time reviewing the papers and our invaluable sponsors. To hear the invited talks and learn about 25 years of HPC development in Canada visit the Symposium website: http://2011.hpcs.ca/lang/en/conference/keynote-speakers/ Enjoy the excellent papers that follow, and we look forward to seeing you in Vancouver for HPCS 2012! Gilles Peslherbe Chair of the Scientific Committee Normand Mousseau Co-Chair of HPCS 2011 Suzanne Talon Chair of the Organizing Committee UQAM Sponsors The PDF also contains photographs from the conference banquet.

  10. 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

  11. Fist Principles Approach to the Magneto Caloric Effect: Application to Ni2MnGa

    NASA Astrophysics Data System (ADS)

    Odbadrakh, Khorgolkhuu; Nicholson, Don; Rusanu, Aurelian; Eisenbach, Markus; Brown, Gregory; Evans, Boyd, III

    2011-03-01

    The magneto-caloric effect (MCE) has potential application in heating and cooling technologies. In this work, we present calculated magnetic structure of a candidate MCE material, Ni 2 MnGa. The magnetic configurations of a 144 atom supercell is first explored using first-principle, the results are then used to fit exchange parameters of a Heisenberg Hamiltonian. The Wang-Landau method is used to calculate the magnetic density of states of the Heisenberg Hamiltonian. Based on this classical estimate, the magnetic density of states is calculated using the Wang Landau method with energies obtained from the first principles method. The Currie temperature and other thermodynamic properties are calculated using the density of states. The relationships between the density of magnetic states and the field induced adiabatic temperature change and isothermal entropy change are discussed. This work was sponsored by the Laboratory Directed Research and Development Program (ORNL), by the Mathematical, Information, and Computational Sciences Division; Office of Advanced Scientific Computing Research (US DOE), and by the Materials Sciences and Engineering Division; Office of Basic Energy Sciences (US DOE).

  12. 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

  13. PACES Participation in Educational Outreach Programs at the University of Texas at El Paso

    NASA Technical Reports Server (NTRS)

    Dodge, Rebecca L.

    1997-01-01

    The University of Texas at El Paso (UTEP) is involved in several initiatives to improve science education within the El Paso area public schools. These include outreach efforts into the K- 12 classrooms; training programs for in-service teachers; and the introduction of a strong science core curricula within the College of Education. The Pan American Center for Earth and Environmental Studies (PACES), a NASA-funded University Research Center, will leverage off the goals of these existing initiatives to provide curriculum support materials at all levels. We will use currently available Mission to Planet Earth (MTPE) materials as well as new materials developed specifically for this region, in an effort to introduce the Earth System Science perspective into these programs. In addition, we are developing curriculum support materials and classes within the Geology and Computer Departments, to provide education in the area of remote sensing and GIS applications at the undergraduate and graduate levels.

  14. Lab Manual & Resources for Materials Science, Engineering and Technology on CD-Rom

    NASA Technical Reports Server (NTRS)

    Jacobs, James A.; McKenney, Alfred E.

    2001-01-01

    The National Educators' Workshop (NEW:Update) series of workshops has been in existence since 1986. These annual workshops focus on technical updates and laboratory experiments for materials science, engineering and technology, involving new and traditional content in the field. Scores of educators and industrial and national laboratory personnel have contributed many useful experiments and demonstrations which were then published as NASA Conference Proceedings. This "out poring of riches" creates an ever-expanding shelf of valuable teaching tools for college, university, community college and advanced high school instruction. Now, more than 400 experiments and demonstrations, representing the first thirteen years of NEW:Updates have been selected and published on a CD-ROM, through the collaboration of this national network of materials educators, engineers, and scientists. The CD-ROM examined in this document utilizes the popular Adobe Acrobat Reader format and operates on most popular computer platforms. This presentation provides an overview of the second edition of Experiments in Materials Science, Engineering and Technology (EMSET2) CD-ROM, ISBN 0-13-030534-0.

  15. Mastering cognitive development theory in computer science education

    NASA Astrophysics Data System (ADS)

    Gluga, Richard; Kay, Judy; Lister, Raymond; Simon; Kleitman, Sabina

    2013-03-01

    To design an effective computer science curriculum, educators require a systematic method of classifying the difficulty level of learning activities and assessment tasks. This is important for curriculum design and implementation and for communication between educators. Different educators must be able to use the method consistently, so that classified activities and assessments are comparable across the subjects of a degree, and, ideally, comparable across institutions. One widespread approach to supporting this is to write learning objects in terms of Bloom's Taxonomy. This, or other such classifications, is likely to be more effective if educators can use them consistently, in the way experts would use them. To this end, we present the design and evaluation of our online interactive web-based tutorial system, which can be configured and used to offer training in different classification schemes. We report on results from three evaluations. First, 17 computer science educators complete a tutorial on using Bloom's Taxonomy to classify programming examination questions. Second, 20 computer science educators complete a Neo-Piagetian tutorial. Third evaluation was a comparison of inter-rater reliability scores of computer science educators classifying programming questions using Bloom's Taxonomy, before and after taking our tutorial. Based on the results from these evaluations, we discuss the effectiveness of our tutorial system design for teaching computer science educators how to systematically and consistently classify programming examination questions. We also discuss the suitability of Bloom's Taxonomy and Neo-Piagetian theory for achieving this goal. The Bloom's and Neo-Piagetian tutorials are made available as a community resource. The contributions of this paper are the following: the tutorial system for learning classification schemes for the purpose of coding the difficulty of computing learning materials; its evaluation; new insights into the consistency that computing educators can achieve using Bloom; and first insights into the use of Neo-Piagetian theory by a group of classifiers.

  16. Laboratory directed research and development. FY 1995 progress report

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

    Vigil, J.; Prono, J.

    1996-03-01

    This document presents an overview of Laboratory Directed Research and Development Programs at Los Alamos. The nine technical disciplines in which research is described include materials, engineering and base technologies, plasma, fluids, and particle beams, chemistry, mathematics and computational science, atmic and molecular physics, geoscience, space science, and astrophysics, nuclear and particle physics, and biosciences. Brief descriptions are provided in the above programs.

  17. Index to NASA Tech Briefs, 1974

    NASA Technical Reports Server (NTRS)

    1975-01-01

    The following information was given for 1974: (1) abstracts of reports dealing with new technology derived from the research and development activities of NASA or the U.S. Atomic Energy Commission, arranged by subjects: electronics/electrical, electronics/electrical systems, physical sciences, materials/chemistry, life sciences, mechanics, machines, equipment and tools, fabrication technology, and computer programs, (2) indexes for the above documents: subject, personal author, originating center.

  18. NETL Crosscutting Research Video Series: Multiphase Flow (Short Version)

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

    None

    For over 30 years, NETL’s work in multiphase flow science has served as one of the cornerstones of the lab’s research portfolio. Multiphase flow refers to the simultaneous flow of gases, liquids and/or solid materials. The goal of the multiphase flow science team is to provide computational modeling tools to help offset the risk and cost of multiphase reactor development.

  19. What Happens When You Push the Button? Analyzing the Functional Dynamics of Concept Development in Computer Supported Science Inquiry

    ERIC Educational Resources Information Center

    Arnseth, Hans Christian; Krange, Ingeborg

    2016-01-01

    In this article we analyze how the joint cognitive system of teacher and student actions mediated by cultural tools develops sense making of science concepts, and the use of concepts as tools for explaining phenomena and processes related to energy and energy transformation. We take a sociocultural approach to the analysis of how material and…

  20. JPRS Report, Science & Technology, USSR: Science & Technology Policy

    DTIC Science & Technology

    1988-09-23

    number of library personnel for preparing survey -analyt- ical references, but by equipping them with modern computer hardware for acquiring information...of manpower, material, technical, and financial resources and limits of capital investments and planning, surveying , and contractual work, which...USSR State Prize for the development and introduction of a technology of the production of shampoo from fish protein. During the period under review

  1. NASA Tech Briefs, February 2002. Volume 26, No. 2

    NASA Technical Reports Server (NTRS)

    2002-01-01

    Topics include:a technology focus on computers, electronic components and systems, software, materials, mechanics,physical sciences machinery, manufacturing/fabrication, mathematics, book and reports, motion control tech briefs and a special section on Photonics Tech Briefs.

  2. Research and technology, 1984 report

    NASA Technical Reports Server (NTRS)

    1984-01-01

    Research and technology projects in the following areas are described: cryogenic engineering, hypergolic engineering, hazardous warning instrumentation, structures and mechanics, sensors and controls, computer sciences, communications, material analysis, biomedicine, meteorology, engineering management, logistics, training and maintenance aids, and technology applications.

  3. 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.

  4. A Community Publication and Dissemination System for Hydrology Education Materials

    NASA Astrophysics Data System (ADS)

    Ruddell, B. L.

    2015-12-01

    Hosted by CUAHSI and the Science Education Resource Center (SERC), federated by the National Science Digital Library (NSDL), and allied with the Water Data Center (WDC), Hydrologic Information System (HIS), and HydroShare projects, a simple cyberinfrastructure has been launched for the publication and dissemination of data and model driven university hydrology education materials. This lightweight system's metadata describes learning content as a data-driven module with defined data inputs and outputs. This structure allows a user to mix and match modules to create sequences of content that teach both hydrology and computer learning outcomes. Importantly, this modular infrastructure allows an instructor to substitute a module based on updated computer methods for one based on outdated computer methods, hopefully solving the problem of rapid obsolescence that has hampered previous community efforts. The prototype system is now available from CUAHSI and SERC, with some example content. The system is designed to catalog, link to, make visible, and make accessible the existing and future contributions of the community; this system does not create content. Submissions from hydrology educators are eagerly solicited, especially for existing content.

  5. 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

  6. 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)

  7. EDITORIAL: Materially speaking!

    NASA Astrophysics Data System (ADS)

    Cornwall, Malcolm G.

    1997-05-01

    We live in a highly materialistic age. This is true not only for our spiritual outlook - or lack of it - but undeniably so for the physical world in which we live. Materials, which are the feature of this special issue, provide literally the fabric on which the modern world is built. Materials science is the systematic study of the physical properties and behaviour of solids with practical applications and importance (if the utility of the material is not explicit or important we are probably in the realm of solid state physics!). Materials in this sense are the stuff of which cars and computers, jet aircraft and washing machines, tower blocks and saucepans, bridges and golf clubs are made. The science of materials therefore encompasses most of the things that form the infrastructure of modern life. But perhaps it is its very ubiquity that removes the mystique, the glamour, the 'zing' from the subject. In contrast, anything cosmological, astronomical or 'fundamental' (as in 'particle'), i.e. of little or no practical significance to our day-to-day lives, excites the curiosity of many able young people. Witness the profusion of books about galaxies and black holes, and quarks and GUTs which strain the popular science shelves of the bookshops. I'm probably being heretical, but perhaps the over-hyping of the very large and the very small has indeed attracted the able few into the serious study of physics, but because of its inherent mathematical complexity and esoteric remoteness maybe it has put off the average youngster who would nevertheless enjoy and succeed in physics-based higher education (and, not incidentally, help fill the seriously depleted lecture theatres in many university physics - and engineering - departments). Materials science on the other hand deals with an intermediate range of things which, give or take an order of magnitude or three, are person-sized as well as person useful. It is - therefore? - undoubtedly one of the less glamorous of the areas of physics-based science and technology. Can materials science be made intellectually more exciting and mind-stretching for our students? In this special issue we present several articles by researchers in less-than-familiar but important areas of materials science and technology. Following a review by Mathew Philip of some of the basic atomic theory which underlies materials science, Jose Silva looks at how artificial diamonds can be made and at how we can apply this exotic material (other than on fingers and around necks). Alan Piercy reviews the field of giant magnetostrictive materials, which, when magnetized, change dimensions hundreds or even thousands of times more than traditional ferromagnetics. David Pettifor provides a nicely interdisciplinary overview of how computer simulations, from the subatomic to the macroscopic level, can be used to help in the design of new materials for such things as turbine blades. Adrian Rennie offers a much-requested written version of the entertaining 1995/6 IOP Schools Lecture on the physics of polymers. (We had hoped to include an article by Professor Colin Gough of Birmingham University on High Temperatue Superconductors, but for technical reasons this has had to be postponed until a future issue.) Finally, there are two articles describing an initiative which will have a direct practical impact on the teaching and learning of `Materials' in the UK. Karen Davies describes the exciting new Materials Gallery due to be opened at the Science Museum as this issue goes to press in May 1997 (no coincidence!), and David Sang provides details of how the new gallery has been linked directly with the GNVQ curriculum, and can certainly be exploited more widely in our physics and technology teaching. Perhaps this can help provide the missing 'zing' that materials science at present seems to lack.

  8. The GI Project: a prototype electronic textbook for high school biology.

    PubMed

    Calhoun, P S; Fishman, E K

    1997-01-01

    A prototype electronic science textbook for secondary education was developed to help bridge the gap between state-of-the-art medical technology and the basic science classroom. The prototype combines the latest in radiologic imaging techniques with a user-friendly multimedia computer program to teach the anatomy, physiology, and diseases of the gastrointestinal (GI) tract. The program includes original text, illustrations, photographs, animations, images from upper GI studies, plain radiographs, computed tomographic images, and three-dimensional reconstructions. These features are intended to create a stimulus-rich environment in which the high school science student can enjoy a variety of interactive experiences that will facilitate the learning process. The computer-based book is a new educational tool that promises to play a prominent role in the coming years. Current research suggests that computer-based books are valuable as an alternative educational medium. Although it is not yet clear what form textbooks will take in the future, computer-based books are already proving valuable as an alternative educational medium. For beginning students, they reinforce the material found in traditional textbooks and class presentations; for advanced students, they provide motivation to learn outside the traditional classroom.

  9. Computational cost of two alternative formulations of Cahn-Hilliard equations

    NASA Astrophysics Data System (ADS)

    Paszyński, Maciej; Gurgul, Grzegorz; Łoś, Marcin; Szeliga, Danuta

    2018-05-01

    In this paper we propose two formulations of Cahn-Hilliard equations, which have several applications in cancer growth modeling and material science phase-field simulations. The first formulation uses one C4 partial differential equations (PDEs) the second one uses two C2 PDEs. Finally, we compare the computational costs of direct solvers for both formulations, using the refined isogeometric analysis (rIGA) approach.

  10. Sandia National Laboratories: Research: Materials Science

    Science.gov Websites

    Technology Partnerships Business, Industry, & Non-Profits Government Universities Center for Development Agreement (CRADA) Strategic Partnership Projects, Non-Federal Entity (SPP/NFE) Agreements New research. Research Our research uses Sandia's experimental, theoretical, and computational capabilities to

  11. EDITORIAL: Computational materials science Computational materials science

    NASA Astrophysics Data System (ADS)

    Kahl, Gerhard; Kresse, Georg

    2011-10-01

    Special issue in honour of Jürgen Hafner On 30 September 2010, Jürgen Hafner, one of the most prominent and influential members within the solid state community, retired. His remarkably broad scientific oeuvre has made him one of the founding fathers of modern computational materials science: more than 600 scientific publications, numerous contributions to books, and a highly cited monograph, which has become a standard reference in the theory of metals, witness not only the remarkable productivity of Jürgen Hafner but also his impact in theoretical solid state physics. In an effort to duly acknowledge Jürgen Hafner's lasting impact in this field, a Festsymposium was held on 27-29 September 2010 at the Universität Wien. The organizers of this symposium (and authors of this editorial) are proud to say that a large number of highly renowned scientists in theoretical condensed matter theory—co-workers, friends and students—accepted the invitation to this celebration of Hafner's jubilee. Some of these speakers also followed our invitation to submit their contribution to this Festschrift, published in Journal of Physics: Condensed Matter, a journal which Jürgen Hafner served in 2000-2003 and 2003-2006 as a member of the Advisory Editorial Board and member of the Executive Board, respectively. In the subsequent article, Volker Heine, friend and co-worker of Jürgen Hafner over many decades, gives an account of Hafner's impact in the field of theoretical condensed matter physics. Computational materials science contents Theoretical study of structural, mechanical and spectroscopic properties of boehmite (γ-AlOOH) D Tunega, H Pašalić, M H Gerzabek and H Lischka Ethylene epoxidation catalyzed by chlorine-promoted silver oxide M O Ozbek, I Onal and R A Van Santen First-principles study of Cu2ZnSnS4 and the related band offsets for photovoltaic applicationsA Nagoya, R Asahi and G Kresse Renormalization group study of random quantum magnetsIstván A Kovács and Ferenc Iglói Ordering effects in disordered systems: the Au-Si systemN Jakse, T L T Nguyen and A Pasturel On the stability of Archimedean tilings formed by patchy particlesMoritz Antlanger, Günther Doppelbauer and Gerhard Kahl

  12. Scientific Computation Application Partnerships in Materials and Chemical Sciences, Charge Transfer and Charge Transport in Photoactivated Systems, Developing Electron-Correlated Methods for Excited State Structure and Dynamics in the NWChem Software Suite

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

    Cramer, Christopher J.

    Charge transfer and charge transport in photoactivated systems are fundamental processes that underlie solar energy capture, solar energy conversion, and photoactivated catalysis, both organometallic and enzymatic. We developed methods, algorithms, and software tools needed for reliable treatment of the underlying physics for charge transfer and charge transport, an undertaking with broad applicability to the goals of the fundamental-interaction component of the Department of Energy Office of Basic Energy Sciences and the exascale initiative of the Office of Advanced Scientific Computing Research.

  13. Long-time atomistic simulations with the Parallel Replica Dynamics method

    NASA Astrophysics Data System (ADS)

    Perez, Danny

    Molecular Dynamics (MD) -- the numerical integration of atomistic equations of motion -- is a workhorse of computational materials science. Indeed, MD can in principle be used to obtain any thermodynamic or kinetic quantity, without introducing any approximation or assumptions beyond the adequacy of the interaction potential. It is therefore an extremely powerful and flexible tool to study materials with atomistic spatio-temporal resolution. These enviable qualities however come at a steep computational price, hence limiting the system sizes and simulation times that can be achieved in practice. While the size limitation can be efficiently addressed with massively parallel implementations of MD based on spatial decomposition strategies, allowing for the simulation of trillions of atoms, the same approach usually cannot extend the timescales much beyond microseconds. In this article, we discuss an alternative parallel-in-time approach, the Parallel Replica Dynamics (ParRep) method, that aims at addressing the timescale limitation of MD for systems that evolve through rare state-to-state transitions. We review the formal underpinnings of the method and demonstrate that it can provide arbitrarily accurate results for any definition of the states. When an adequate definition of the states is available, ParRep can simulate trajectories with a parallel speedup approaching the number of replicas used. We demonstrate the usefulness of ParRep by presenting different examples of materials simulations where access to long timescales was essential to access the physical regime of interest and discuss practical considerations that must be addressed to carry out these simulations. Work supported by the United States Department of Energy (U.S. DOE), Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division.

  14. NASA aerospace database subject scope: An overview

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Outlined here is the subject scope of the NASA Aerospace Database, a publicly available subset of the NASA Scientific and Technical (STI) Database. Topics of interest to NASA are outlined and placed within the framework of the following broad aerospace subject categories: aeronautics, astronautics, chemistry and materials, engineering, geosciences, life sciences, mathematical and computer sciences, physics, social sciences, space sciences, and general. A brief discussion of the subject scope is given for each broad area, followed by a similar explanation of each of the narrower subject fields that follow. The subject category code is listed for each entry.

  15. Colour and Optical Properties of Materials: An Exploration of the Relationship Between Light, the Optical Properties of Materials and Colour

    NASA Astrophysics Data System (ADS)

    Tilley, Richard J. D.

    2003-05-01

    Colour is an important and integral part of everyday life, and an understanding and knowledge of the scientific principles behind colour, with its many applications and uses, is becoming increasingly important to a wide range of academic disciplines, from physical, medical and biological sciences through to the arts. Colour and the Optical Properties of Materials carefully introduces the science behind the subject, along with many modern and cutting-edge applications, chose to appeal to today's students. For science students, it provides a broad introduction to the subject and the many applications of colour. To more applied students, such as engineering and arts students, it provides the essential scientific background to colour and the many applications. Features: * Introduces the science behind the subject whilst closely connecting it to modern applications, such as colour displays, optical amplifiers and colour centre lasers * Richly illustrated with full-colour plates * Includes many worked examples, along with problems and exercises at the end of each chapter and selected answers at the back of the book * A Web site, including additional problems and full solutions to all the problems, which may be accessed at: www.cardiff.ac.uk/uwcc/engin/staff/rdjt/colour Written for students taking an introductory course in colour in a wide range of disciplines such as physics, chemistry, engineering, materials science, computer science, design, photography, architecture and textiles.

  16. Exploratory Research and Development Fund, FY 1990. Report on Lawrence Berkeley Laboratory

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

    Not Available

    1992-05-01

    The Lawrence Berkeley Laboratory Exploratory R&D Fund FY 1990 report is compiled from annual reports submitted by principal investigators following the close of the fiscal year. This report describes the projects supported and summarizes their accomplishments. It constitutes a part of an Exploratory R&D Fund (ERF) planning and documentation process that includes an annual planning cycle, projection selection, implementation, and review. The research areas covered in this report are: Accelerator and fusion research; applied science; cell and molecular biology; chemical biodynamics; chemical sciences; earth sciences; engineering; information and computing sciences; materials sciences; nuclear science; physics and research medicine and radiationmore » biophysics.« less

  17. An accurate, compact and computationally efficient representation of orbitals for quantum Monte Carlo calculations

    NASA Astrophysics Data System (ADS)

    Luo, Ye; Esler, Kenneth; Kent, Paul; Shulenburger, Luke

    Quantum Monte Carlo (QMC) calculations of giant molecules, surface and defect properties of solids have been feasible recently due to drastically expanding computational resources. However, with the most computationally efficient basis set, B-splines, these calculations are severely restricted by the memory capacity of compute nodes. The B-spline coefficients are shared on a node but not distributed among nodes, to ensure fast evaluation. A hybrid representation which incorporates atomic orbitals near the ions and B-spline ones in the interstitial regions offers a more accurate and less memory demanding description of the orbitals because they are naturally more atomic like near ions and much smoother in between, thus allowing coarser B-spline grids. We will demonstrate the advantage of hybrid representation over pure B-spline and Gaussian basis sets and also show significant speed-up like computing the non-local pseudopotentials with our new scheme. Moreover, we discuss a new algorithm for atomic orbital initialization which used to require an extra workflow step taking a few days. With this work, the highly efficient hybrid representation paves the way to simulate large size even in-homogeneous systems using QMC. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Computational Materials Sciences Program.

  18. 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

  19. 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.

  20. Advanced Computational Models for Fabric-Reinforced Composites

    DTIC Science & Technology

    2001-10-01

    composites. Trans-Science Corporation 3655 Nobel Drive Suite 440 San Diego, CA 92122-1005 Tel (858) 459-1240 http://www.compositesolutionsinc.com...also based in XP! Material Suppliers San Diego, recently developed the only Newsletters comprehensive design software for the seismic NDT, NDE , NDI...composite bus. Trans-Science Corporation 3655 Nobel Drive Suite 440 San Diego, CA 92122-1005 Tel (858) 459-1240 Fax (858) 459-0210 •’(S-HOME SERVICES

  1. JPRS report: Science and Technology. Europe and Latin America

    NASA Astrophysics Data System (ADS)

    1988-01-01

    Articles from the popular and trade press are included on the following subjects: advanced materials, aerospace industry, automotive industry, biotechnology, computers, factory automation and robotics, microelectronics, and science and technology policy. The aerospace articles discuss briefly and in a nontechnical way the SAGEM bubble memories for space applications, Ariane V new testing facilities, innovative technologies of TDF-1 satellite, and the restructuring of the Aviation Division at France's Aerospatiale.

  2. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

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

    Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo

    2016-06-13

    One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and vanmore » der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.« less

  3. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

    PubMed

    Sun, Jianwei; Remsing, Richard C; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L; Perdew, John P

    2016-09-01

    One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.

  4. Education and Outreach Programs Offered by the Center for High Pressure Research and the Consortium for Materials Properties Research in Earth Sciences

    NASA Astrophysics Data System (ADS)

    Richard, G. A.

    2003-12-01

    Major research facilities and organizations provide an effective venue for developing partnerships with educational organizations in order to offer a wide variety of educational programs, because they constitute a base where the culture of scientific investigation can flourish. The Consortium for Materials Properties Research in Earth Sciences (COMPRES) conducts education and outreach programs through the Earth Science Educational Resource Center (ESERC), in partnership with other groups that offer research and education programs. ESERC initiated its development of education programs in 1994 under the administration of the Center for High Pressure Research (CHiPR), which was funded as a National Science Foundation Science and Technology Center from 1991 to 2002. Programs developed during ESERC's association with CHiPR and COMPRES have targeted a wide range of audiences, including pre-K, K-12 students and teachers, undergraduates, and graduate students. Since 1995, ESERC has offered inquiry-based programs to Project WISE (Women in Science and Engineering) students at a high school and undergraduate level. Activities have included projects that investigated earthquakes, high pressure mineral physics, and local geology. Through a practicum known as Project Java, undergraduate computer science students have developed interactive instructional tools for several of these activities. For K-12 teachers, a course on Long Island geology is offered each fall, which includes an examination of the role that processes in the Earth's interior have played in the geologic history of the region. ESERC has worked with Stony Brook's Department of Geosciences faculty to offer courses on natural hazards, computer modeling, and field geology to undergraduate students, and on computer programming for graduate students. Each summer, a four-week residential college-level environmental geology course is offered to rising tenth graders from the Brentwood, New York schools in partnership with Stony Brook's Department of Technology and Society. During the academic year, a college-level Earth science course is offered to tenth graders from Sayville, New York. In both programs, students conduct research projects as one of their primary responsibilities. In collaboration with the Museum of Long Island Natural Sciences on the Stony Brook campus, two programs have been developed that enable visiting K-12 school classes to investigate earthquakes and phenomena that operate in the Earth's deep interior. From 1997 to 1999, the weekly activity-based Science Enrichment for the Early Years (SEEY) program, focusing on common Earth materials and fundamental Earth processes, was conducted at a local pre-K school. Since 2002, ESERC has worked with the Digital Library for Earth System Education (DLESE) to organize the Skills Workshops for their Annual Meeting and with EarthScope for the development of their Education and Outreach Program Plan. Future education programs and tools developed through COMPRES partnerships will place an increased emphasis on deep Earth materials and phenomena.

  5. Journal of Undergraduate Research, Volume IX, 2009

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

    Stiner, K. S.; Graham, S.; Khan, M.

    Each year more than 600 undergraduate students are awarded paid internships at the Department of Energy’s (DOE) National Laboratories. Th ese interns are paired with research scientists who serve as mentors in authentic research projects. All participants write a research abstract and present at a poster session and/or complete a fulllength research paper. Abstracts and selected papers from our 2007–2008 interns that represent the breadth and depth of undergraduate research performed each year at our National Laboratories are published here in the Journal of Undergraduate Research. The fields in which these students worked included: Biology; Chemistry; Computer Science; Engineering; Environmentalmore » Science; General Science; Materials Science; Medical and Health Sciences; Nuclear Science; Physics; Science Policy; and Waste Management.« less

  6. First-principles data-driven discovery of transition metal oxides for artificial photosynthesis

    NASA Astrophysics Data System (ADS)

    Yan, Qimin

    We develop a first-principles data-driven approach for rapid identification of transition metal oxide (TMO) light absorbers and photocatalysts for artificial photosynthesis using the Materials Project. Initially focusing on Cr, V, and Mn-based ternary TMOs in the database, we design a broadly-applicable multiple-layer screening workflow automating density functional theory (DFT) and hybrid functional calculations of bulk and surface electronic and magnetic structures. We further assess the electrochemical stability of TMOs in aqueous environments from computed Pourbaix diagrams. Several promising earth-abundant low band-gap TMO compounds with desirable band edge energies and electrochemical stability are identified by our computational efforts and then synergistically evaluated using high-throughput synthesis and photoelectrochemical screening techniques by our experimental collaborators at Caltech. Our joint theory-experiment effort has successfully identified new earth-abundant copper and manganese vanadate complex oxides that meet highly demanding requirements for photoanodes, substantially expanding the known space of such materials. By integrating theory and experiment, we validate our approach and develop important new insights into structure-property relationships for TMOs for oxygen evolution photocatalysts, paving the way for use of first-principles data-driven techniques in future applications. This work is supported by the Materials Project Predictive Modeling Center and the Joint Center for Artificial Photosynthesis through the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231. Computational resources also provided by the Department of Energy through the National Energy Supercomputing Center.

  7. Sandia National Laboratories: Careers: Materials Science

    Science.gov Websites

    Technology Partnerships Business, Industry, & Non-Profits Government Universities Center for Development Agreement (CRADA) Strategic Partnership Projects, Non-Federal Entity (SPP/NFE) Agreements New Sandia's experimental, theoretical, and computational capabilities to establish the state of the art in

  8. 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

  9. Opportunities for Funding at NSF

    NASA Astrophysics Data System (ADS)

    Kafafi, Zakya H.

    2009-03-01

    Materials science, inter- and multi-disciplinary in nature, provides the bridge to many areas of fundamental and applied sciences such as biology, chemistry, physics, mathematics, computer sciences, and engineering. Strong links that may exist between materials science and other disciplines, such as biology or chemistry or physics, very often lead to novel applications and enable technologies of great benefit to our society. The Division of Materials Research (DMR) invested 274.0 M in FY 2008 and is estimated to invest 324.6 M in FY 2009 funding research and education as well as enabling tools & instrumentation for individual investigators, groups, centers, and national facilities. DMR programs cover a wide spectrum of materials research and education ranging from condensed matter and materials physics, solid-state and materials chemistry, multifunctional, hybrid, electronic, photonic, metallic, ceramic, polymeric, bio-materials, composites and nanostructures to list a few. New modes of funding, research opportunities and directions, such as the recent SOLAR solicitation, will be described. This Solar Energy Initiative launched jointly by three divisions, namely Chemistry, Materials Research and Mathematical Science is aimed at supporting truly interdisciplinary efforts that address the scientific challenges of highly efficient harvesting, conversion, and storage of solar energy. The goal of this new program is to create a new modality of linking the mathematical with the chemical and materials sciences to develop transformative paradigms based on the integrated expertise and synergy from three disciplinary communities. DMR is also seeking new ways to transform materials science and education, and make it more attractive as a career for bright, young women & men. A description will be given of several workshops held this year and planned for next year with this purpose in mind. Outreach programs that emphasize how the innovations resulting from materials research lead to a better quality of life and improved economic development for people all over the world will also be given. As science is becoming increasingly global, DMR is particularly interested in preparing students to be agile thinkers in this universal environment and in forging collaborations and cooperation among scientists and engineers around the world. Free movement of knowledge without any obstacles can only be achieved through a more coordinated approach for international collaboration. Following the presentation there will be a question-and-answer period. For additional information, visit the DMR Web page at www.nsf.gov/materials

  10. Materials integrity in microsystems: a framework for a petascale predictive-science-based multiscale modeling and simulation system

    NASA Astrophysics Data System (ADS)

    To, Albert C.; Liu, Wing Kam; Olson, Gregory B.; Belytschko, Ted; Chen, Wei; Shephard, Mark S.; Chung, Yip-Wah; Ghanem, Roger; Voorhees, Peter W.; Seidman, David N.; Wolverton, Chris; Chen, J. S.; Moran, Brian; Freeman, Arthur J.; Tian, Rong; Luo, Xiaojuan; Lautenschlager, Eric; Challoner, A. Dorian

    2008-09-01

    Microsystems have become an integral part of our lives and can be found in homeland security, medical science, aerospace applications and beyond. Many critical microsystem applications are in harsh environments, in which long-term reliability needs to be guaranteed and repair is not feasible. For example, gyroscope microsystems on satellites need to function for over 20 years under severe radiation, thermal cycling, and shock loading. Hence a predictive-science-based, verified and validated computational models and algorithms to predict the performance and materials integrity of microsystems in these situations is needed. Confidence in these predictions is improved by quantifying uncertainties and approximation errors. With no full system testing and limited sub-system testings, petascale computing is certainly necessary to span both time and space scales and to reduce the uncertainty in the prediction of long-term reliability. This paper presents the necessary steps to develop predictive-science-based multiscale modeling and simulation system. The development of this system will be focused on the prediction of the long-term performance of a gyroscope microsystem. The environmental effects to be considered include radiation, thermo-mechanical cycling and shock. Since there will be many material performance issues, attention is restricted to creep resulting from thermal aging and radiation-enhanced mass diffusion, material instability due to radiation and thermo-mechanical cycling and damage and fracture due to shock. To meet these challenges, we aim to develop an integrated multiscale software analysis system that spans the length scales from the atomistic scale to the scale of the device. The proposed software system will include molecular mechanics, phase field evolution, micromechanics and continuum mechanics software, and the state-of-the-art model identification strategies where atomistic properties are calibrated by quantum calculations. We aim to predict the long-term (in excess of 20 years) integrity of the resonator, electrode base, multilayer metallic bonding pads, and vacuum seals in a prescribed mission. Although multiscale simulations are efficient in the sense that they focus the most computationally intensive models and methods on only the portions of the space time domain needed, the execution of the multiscale simulations associated with evaluating materials and device integrity for aerospace microsystems will require the application of petascale computing. A component-based software strategy will be used in the development of our massively parallel multiscale simulation system. This approach will allow us to take full advantage of existing single scale modeling components. An extensive, pervasive thrust in the software system development is verification, validation, and uncertainty quantification (UQ). Each component and the integrated software system need to be carefully verified. An UQ methodology that determines the quality of predictive information available from experimental measurements and packages the information in a form suitable for UQ at various scales needs to be developed. Experiments to validate the model at the nanoscale, microscale, and macroscale are proposed. The development of a petascale predictive-science-based multiscale modeling and simulation system will advance the field of predictive multiscale science so that it can be used to reliably analyze problems of unprecedented complexity, where limited testing resources can be adequately replaced by petascale computational power, advanced verification, validation, and UQ methodologies.

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

    Bland, Arthur S Buddy; Hack, James J; Baker, Ann E

    Oak Ridge National Laboratory's (ORNL's) Cray XT5 supercomputer, Jaguar, kicked off the era of petascale scientific computing in 2008 with applications that sustained more than a thousand trillion floating point calculations per second - or 1 petaflop. Jaguar continues to grow even more powerful as it helps researchers broaden the boundaries of knowledge in virtually every domain of computational science, including weather and climate, nuclear energy, geosciences, combustion, bioenergy, fusion, and materials science. Their insights promise to broaden our knowledge in areas that are vitally important to the Department of Energy (DOE) and the nation as a whole, particularly energymore » assurance and climate change. The science of the 21st century, however, will demand further revolutions in computing, supercomputers capable of a million trillion calculations a second - 1 exaflop - and beyond. These systems will allow investigators to continue attacking global challenges through modeling and simulation and to unravel longstanding scientific questions. Creating such systems will also require new approaches to daunting challenges. High-performance systems of the future will need to be codesigned for scientific and engineering applications with best-in-class communications networks and data-management infrastructures and teams of skilled researchers able to take full advantage of these new resources. The Oak Ridge Leadership Computing Facility (OLCF) provides the nation's most powerful open resource for capability computing, with a sustainable path that will maintain and extend national leadership for DOE's Office of Science (SC). The OLCF has engaged a world-class team to support petascale science and to take a dramatic step forward, fielding new capabilities for high-end science. This report highlights the successful delivery and operation of a petascale system and shows how the OLCF fosters application development teams, developing cutting-edge tools and resources for next-generation systems.« less

  12. Impact of Multimedia and Network Services on an Introductory Level Course

    NASA Technical Reports Server (NTRS)

    Russ, John C.

    1996-01-01

    We will demonstrate and describe the impact of our use of multimedia and network connectivity on a sophomore-level introductory course in materials science. This class services all engineering students, resulting in large (more than 150) class sections with no hands-on laboratory. In 1990 we began to develop computer graphics that might substitute for some laboratory or real-world experiences, and demonstrate relationships hard to show with static textbook images or chalkboard drawings. We created a comprehensive series of modules that cover the entire course content. Called VIMS (Visualizations in Materials Science), these are available in the form of a CD-ROM and also via the internet.

  13. Educational Technology in the 21st Century. Joint Hearing before the Committee on Science and the Committee on Economic and Educational Opportunities. House of Representatives, One Hundred Fourth Congress, First Session.

    ERIC Educational Resources Information Center

    Congress of the U.S., Washington, DC. House Committee on Science and Technology.

    This document presents witness testimony and supplemental materials from a Congressional hearing addressing the potential as well as the affordability of educational technology and the classroom of the future, where computers and computer networks will increasingly aid teachers and facilitate learning. Those presenting prepared statements are…

  14. Optimized Materials From First Principles Simulations: Are We There Yet?

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

    Galli, G; Gygi, F

    2005-07-26

    In the past thirty years, the use of scientific computing has become pervasive in all disciplines: collection and interpretation of most experimental data is carried out using computers, and physical models in computable form, with various degrees of complexity and sophistication, are utilized in all fields of science. However, full prediction of physical and chemical phenomena based on the basic laws of Nature, using computer simulations, is a revolution still in the making, and it involves some formidable theoretical and computational challenges. We illustrate the progress and successes obtained in recent years in predicting fundamental properties of materials in condensedmore » phases and at the nanoscale, using ab-initio, quantum simulations. We also discuss open issues related to the validation of the approximate, first principles theories used in large scale simulations, and the resulting complex interplay between computation and experiment. Finally, we describe some applications, with focus on nanostructures and liquids, both at ambient and under extreme conditions.« less

  15. Macmillan Encyclopedia of Chemistry (edited by Joseph J. Lagowski)

    NASA Astrophysics Data System (ADS)

    Kauffman, George B.

    1998-11-01

    Macmillan: New York, 1997. Four volumes. Figs., tables. lxxi + 1696 pp. 22.0 x 28.5 cm. $400. ISBN 0-02-897225-2. This latest addition to Macmillan's series of comprehensive core science encyclopedias (previous sets dealt with physics and earth sciences) will be of particular interest to readers of this Journal, for it is edited by longtime Journal of Chemical Education editor Joe Lagowski, assisted by a board of five distinguished associate editors. The attractively priced set offers clear explanations of the phenomena and concepts of chemistry and its materials, whether found in industry, the laboratory, or the natural world. It is intended for a broad spectrum of readers-professionals whose work draws on chemical concepts and knowledge (e.g., material scientists, engineers, health workers, biotechnologists, mathematicians, and computer programmers), science teachers at all levels from kindergarten to high school, high school and college students interested in medicine or the sciences, college and university professors, and laypersons desiring information on practical aspects of chemistry (e.g., household cleaning products, food and food additives, manufactured materials, herbicides, the human body, sweeteners, and animal communication).

  16. Biotechnology

    NASA Image and Video Library

    2000-12-15

    NASA is looking to biological techniques that are millions of years old to help it develop new materials and nanotechnology for the 21st century. Sponsored by NASA, Jerzy Bernholc, a principal investigator in the microgravity materials science program and a physics professor at North Carolina State University, Bernholc works with very large-scale computations to model carbon molecules as they assemble themselves to form nanotubes. The strongest confirmed material known, nanotubes are much stronger than graphite, a more common material made of carbon, and weigh six times less than steel. Nanotubes have potential uses such as strain gauges, advanced electronic devices, amd batteries. The strength, light weight, and conductive qualities of nanotubes, shown in light blue in this computed electron distribution, make them excellent components of nanoscale devices. One way to conduct electricity to such devices is through contact with aluminum, shown in dark blue.

  17. University of Maryland MRSEC - Research: Seed 1

    Science.gov Websites

    . University of Maryland Materials Research Science and Engineering Center Home About Us Leadership & Biochemistry Wolfgang Losert, Physics, IPST, IREAP Ben Shapiro, Bio-Engineering, Aerospace Engineering Edo Waks, Electrical & Computer Engineering, IREAP, JQI Creating specific functional patterns

  18. Engineering for Liberal Arts and Engineering Students.

    ERIC Educational Resources Information Center

    The Weaver, 1986

    1986-01-01

    Describes courses designed to develop approaches for teaching engineering concepts, applied mathematics and computing skills to liberal arts undergraduates, and to teach the history of scientific and technological innovation and application to engineering and science majors. Discusses courses, course materials, enrichment activities, and…

  19. Aeronautics research and technology program and specific objectives

    NASA Technical Reports Server (NTRS)

    1981-01-01

    Aeronautics research and technology program objectives in fluid and thermal physics, materials and structures, controls and guidance, human factors, multidisciplinary activities, computer science and applications, propulsion, rotorcraft, high speed aircraft, subsonic aircraft, and rotorcraft and high speed aircraft systems technology are addressed.

  20. Addressing the challenges of standalone multi-core simulations in molecular dynamics

    NASA Astrophysics Data System (ADS)

    Ocaya, R. O.; Terblans, J. J.

    2017-07-01

    Computational modelling in material science involves mathematical abstractions of force fields between particles with the aim to postulate, develop and understand materials by simulation. The aggregated pairwise interactions of the material's particles lead to a deduction of its macroscopic behaviours. For practically meaningful macroscopic scales, a large amount of data are generated, leading to vast execution times. Simulation times of hours, days or weeks for moderately sized problems are not uncommon. The reduction of simulation times, improved result accuracy and the associated software and hardware engineering challenges are the main motivations for many of the ongoing researches in the computational sciences. This contribution is concerned mainly with simulations that can be done on a "standalone" computer based on Message Passing Interfaces (MPI), parallel code running on hardware platforms with wide specifications, such as single/multi- processor, multi-core machines with minimal reconfiguration for upward scaling of computational power. The widely available, documented and standardized MPI library provides this functionality through the MPI_Comm_size (), MPI_Comm_rank () and MPI_Reduce () functions. A survey of the literature shows that relatively little is written with respect to the efficient extraction of the inherent computational power in a cluster. In this work, we discuss the main avenues available to tap into this extra power without compromising computational accuracy. We also present methods to overcome the high inertia encountered in single-node-based computational molecular dynamics. We begin by surveying the current state of the art and discuss what it takes to achieve parallelism, efficiency and enhanced computational accuracy through program threads and message passing interfaces. Several code illustrations are given. The pros and cons of writing raw code as opposed to using heuristic, third-party code are also discussed. The growing trend towards graphical processor units and virtual computing clouds for high-performance computing is also discussed. Finally, we present the comparative results of vacancy formation energy calculations using our own parallelized standalone code called Verlet-Stormer velocity (VSV) operating on 30,000 copper atoms. The code is based on the Sutton-Chen implementation of the Finnis-Sinclair pairwise embedded atom potential. A link to the code is also given.

  1. JPRS report: Science and technology. Europe and Latin America

    NASA Astrophysics Data System (ADS)

    1988-01-01

    Articles from the popular and trade press of Western Europe and Latin America are presented on advanced materials, aerospace and civial aviation, computers, defense industries, factory automation and robotics, lasers, senors, optics microelectronics, science and technology policy, biotechnology, marine technology, and nuclear developments. The aerospace articles include an overview of Austrian space activities and plans and a report on a panel of West German experts recommending against self-sufficiency for the Airbus.

  2. Analysis of a Proposed Material Handling System Using a Computer Simulation Model.

    DTIC Science & Technology

    1981-06-01

    the proposed MMHS were identified to assist the managers of the system in implementation and future planning. * 4 UNCLASSIFIED SRCUllTY CLASSIPICATION...the Degree of Master of Science in Logistics Management By Darwin D. Harp, BSIE GS-11. June 1981 Approved for public release; distribution unlimited...partial fulfillment of the requirements for the degree of MASTER OF SCIENCE IN LOGISTICS MANAGEMENT DATE: 17 June 1981 (( COMMITECARN ii 67- B I

  3. Translations on USSR Science and Technology, Physical Sciences and Technology, Number 49.

    DTIC Science & Technology

    1978-09-20

    significant reduction in the times and now a reduction in the cost of the work), and data from the surveys of the incomes of families of workers...computer equipment, it provides comprehensive elaboration of the accounting and statistical material with a reduction in the cost of the work, and...themselves, while actively developing under conditons of space flight? We have already written about hydrogenous bacteria (TEKHNIKA — MOLODEZHI, No 4

  4. 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."

  5. PREFACE: International Conference on Applied Sciences (ICAS2014)

    NASA Astrophysics Data System (ADS)

    Lemle, Ludovic Dan; Jiang, Yiwen

    2015-06-01

    The International Conference on Applied Sciences (ICAS2014) took place in Hunedoara, Romania from 2-4 October 2014 at the Engineering Faculty of Hunedoara. The conference takes place alternately in Romania and in P.R. China and is organized by "Politehnica" University of Timisoara, Romania, and Military Economics Academy of Wuhan, P.R. China, with the aim to serve as a platform for exchange of information between various areas of applied sciences and to promote the communication between scientists of different nations, countries and continents. The topics of the conference covered a comprehensive spectrum of issues: 1. Economical Sciences 2. Engineering Sciences 3. Fundamental Sciences 4. Medical Sciences The conference gathered qualified researchers whose expertise can be used to develop new engineering knowledge that has the potential for application in economics, defense, medicine, etc. There were nearly 100 registered participants from six countries, and four invited and 56 oral talks were delivered during the two days of the conference. Based on the work presented at the conference, selected papers are included in this volume of IOP Conference Series: Materials Science and Engineering. These papers present new research in the various fields of Materials Engineering, Mechanical Engineering, Computer Engineering, and Mathematical Engineering. It is our great pleasure to present this volume of IOP Conference Series: Materials Science and Engineering to the scientific community to promote further research in these areas. We sincerely hope that the papers published in this volume will contribute to the advancement of knowledge in their respective fields.

  6. Computational design of materials for solar hydrogen generation

    NASA Astrophysics Data System (ADS)

    Umezawa, Naoto

    Photocatalysis has a great potential for the production of hydrogen from aquerous solution under solar light. In this talk, two different approaches toward the computational materials desing for solar hydrogen generation will be presented. Tin (Sn), which has two major oxidation states, Sn2+ and Sn4+, is abundant on the earth's crust. Recently, visible-light responsive photocatalytc H2 evolution reaction was identified over a mixed valence tin oxide Sn3O4. We have carried out crystal structure prediction for mixed valence tin oxides in different atomic compositions under ambient pressure condition using advanced computational methods based on the evolutionary crystal-structure search and density-functional theory. The predicted novel crystal structures realize the desirable band gaps and band edge positions for H2 evolution under visible light irradiation. It is concluded that multivalent tin oxides have a great potential as an abundant, cheap and environmentally-benign solar-energy conversion photofunctional materials. Transition metal doping is effective for sensitizing SrTiO3 under visible light. We have theoretically investigated the roles of the doped Cr in STO based on hybrid density-functional calculations. Cr atoms are preferably substituting for Ti under any equilibrium growth conditions. The lower oxidation state Cr3+, which is stabilized under an n-type condition of STO, is found to be advantageous for the photocatalytic performance. It is firther predicted that lanthanum is the best codopant for stabilizing the favorable oxidation state, Cr3+. The prediction was validated by our experiments that La and Cr co-doped STO shows the best performance among examined samples. This work was supported by the Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) and International Research Fellow program of Japan Society for the Promotion of Science (JSPS) through project P14207.

  7. 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.

  8. Interactive Online Modules and Videos for Learning Geological Concepts at the University of Toronto Department of Earth Sciences

    NASA Astrophysics Data System (ADS)

    Veglio, E.; Graves, L. W.; Bank, C. G.

    2014-12-01

    We designed various computer-based applications and videos as educational resources for undergraduate courses at the University of Toronto in the Earth Science Department. These resources were developed in effort to enhance students' self-learning of key concepts as identified by educators at the department. The interactive learning modules and videos were created using the programs MATLAB and Adobe Creative Suite 5 (Photoshop and Premiere) and range from optical mineralogy (extinction and Becke line), petrology (equilibrium melting in 2-phase systems), crystallography (crystal systems), geophysics (gravity anomaly), and geologic history (evolution of Canada). These resources will be made available for students on internal course websites as well as through the University of Toronto Earth Science's website (www.es.utoronto.ca) where appropriate; the video platform YouTube.com may be used to reach a wide audience and promote the material. Usage of the material will be monitored and feedback will be collected over the next academic year in order to gage the use of these interactive learning tools and to assess if these computer-based applications and videos foster student engagement and active learning, and thus offer an enriched learning experience.

  9. Computational Material Processing in Microgravity

    NASA Technical Reports Server (NTRS)

    2005-01-01

    Working with Professor David Matthiesen at Case Western Reserve University (CWRU) a computer model of the DPIMS (Diffusion Processes in Molten Semiconductors) space experiment was developed that is able to predict the thermal field, flow field and concentration profile within a molten germanium capillary under both ground-based and microgravity conditions as illustrated. These models are coupled with a novel nonlinear statistical methodology for estimating the diffusion coefficient from measured concentration values after a given time that yields a more accurate estimate than traditional methods. This code was integrated into a web-based application that has become a standard tool used by engineers in the Materials Science Department at CWRU.

  10. DOE Advanced Scientific Computing Advisory Subcommittee (ASCAC) Report: Top Ten Exascale Research Challenges

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

    Lucas, Robert; Ang, James; Bergman, Keren

    2014-02-10

    Exascale computing systems are essential for the scientific fields that will transform the 21st century global economy, including energy, biotechnology, nanotechnology, and materials science. Progress in these fields is predicated on the ability to perform advanced scientific and engineering simulations, and analyze the deluge of data. On July 29, 2013, ASCAC was charged by Patricia Dehmer, the Acting Director of the Office of Science, to assemble a subcommittee to provide advice on exascale computing. This subcommittee was directed to return a list of no more than ten technical approaches (hardware and software) that will enable the development of a systemmore » that achieves the Department's goals for exascale computing. Numerous reports over the past few years have documented the technical challenges and the non¬-viability of simply scaling existing computer designs to reach exascale. The technical challenges revolve around energy consumption, memory performance, resilience, extreme concurrency, and big data. Drawing from these reports and more recent experience, this ASCAC subcommittee has identified the top ten computing technology advancements that are critical to making a capable, economically viable, exascale system.« less

  11. A Review of Computational Methods in Materials Science: Examples from Shock-Wave and Polymer Physics

    PubMed Central

    Steinhauser, Martin O.; Hiermaier, Stefan

    2009-01-01

    This review discusses several computational methods used on different length and time scales for the simulation of material behavior. First, the importance of physical modeling and its relation to computer simulation on multiscales is discussed. Then, computational methods used on different scales are shortly reviewed, before we focus on the molecular dynamics (MD) method. Here we survey in a tutorial-like fashion some key issues including several MD optimization techniques. Thereafter, computational examples for the capabilities of numerical simulations in materials research are discussed. We focus on recent results of shock wave simulations of a solid which are based on two different modeling approaches and we discuss their respective assets and drawbacks with a view to their application on multiscales. Then, the prospects of computer simulations on the molecular length scale using coarse-grained MD methods are covered by means of examples pertaining to complex topological polymer structures including star-polymers, biomacromolecules such as polyelectrolytes and polymers with intrinsic stiffness. This review ends by highlighting new emerging interdisciplinary applications of computational methods in the field of medical engineering where the application of concepts of polymer physics and of shock waves to biological systems holds a lot of promise for improving medical applications such as extracorporeal shock wave lithotripsy or tumor treatment. PMID:20054467

  12. Advances in Machine Learning and Data Mining for Astronomy

    NASA Astrophysics Data System (ADS)

    Way, Michael J.; Scargle, Jeffrey D.; Ali, Kamal M.; Srivastava, Ashok N.

    2012-03-01

    Advances in Machine Learning and Data Mining for Astronomy documents numerous successful collaborations among computer scientists, statisticians, and astronomers who illustrate the application of state-of-the-art machine learning and data mining techniques in astronomy. Due to the massive amount and complexity of data in most scientific disciplines, the material discussed in this text transcends traditional boundaries between various areas in the sciences and computer science. The book's introductory part provides context to issues in the astronomical sciences that are also important to health, social, and physical sciences, particularly probabilistic and statistical aspects of classification and cluster analysis. The next part describes a number of astrophysics case studies that leverage a range of machine learning and data mining technologies. In the last part, developers of algorithms and practitioners of machine learning and data mining show how these tools and techniques are used in astronomical applications. With contributions from leading astronomers and computer scientists, this book is a practical guide to many of the most important developments in machine learning, data mining, and statistics. It explores how these advances can solve current and future problems in astronomy and looks at how they could lead to the creation of entirely new algorithms within the data mining community.

  13. Man-Machine Interaction: Operator.

    DTIC Science & Technology

    1984-06-01

    EASTER OF SCIENCI I COMPUTER SCIENCE Justification from the Distribution/ Availability Codes NAVal POSTGBADUATE SCHOOL Avail and/or June 1984 Dlst...Few pecple, if any, remember everything they see or hear but an anazingly large amount of material can be recalled years after it has been acquired...and skill, learning takes tine. The time required for the learning process will generally vary with the coaplexity of the material cr task he is

  14. Structural ceramics

    NASA Technical Reports Server (NTRS)

    Craig, Douglas F.

    1992-01-01

    This presentation gives a brief history of the field of materials sciences and goes on to expound the advantages of the fastest growing area in that field, namely ceramics. Since ceramics are moving to fill the demand for lighter, stronger, more corrosion resistant materials, advancements will rely more on processing and modeling from the atomic scale up which is made possible by advanced analytical, computer, and processing techniques. All information is presented in viewgraph format.

  15. 4D bioprinting: the next-generation technology for biofabrication enabled by stimuli-responsive materials.

    PubMed

    Li, Yi-Chen; Zhang, Yu Shrike; Akpek, Ali; Shin, Su Ryon; Khademhosseini, Ali

    2016-12-02

    Four-dimensional (4D) bioprinting, encompassing a wide range of disciplines including bioengineering, materials science, chemistry, and computer sciences, is emerging as the next-generation biofabrication technology. By utilizing stimuli-responsive materials and advanced three-dimensional (3D) bioprinting strategies, 4D bioprinting aims to create dynamic 3D patterned biological structures that can transform their shapes or behavior under various stimuli. In this review, we highlight the potential use of various stimuli-responsive materials for 4D printing and their extension into biofabrication. We first discuss the state of the art and limitations associated with current 3D printing modalities and their transition into the inclusion of the additional time dimension. We then suggest the potential use of different stimuli-responsive biomaterials as the bioink that may achieve 4D bioprinting where transformation of fabricated biological constructs can be realized. We finally conclude with future perspectives.

  16. Impact compaction of a granular material

    DOE PAGES

    Fenton, Gregg; Asay, Blaine; Dalton, Devon

    2015-05-19

    The dynamic behavior of granular materials has importance to a variety of engineering applications. Structural seismic coupling, planetary science, and earth penetration mechanics, are just a few of the application areas. Although the mechanical behavior of granular materials of various types have been studied extensively for several decades, the dynamic behavior of such materials remains poorly understood. High-quality experimental data are needed to improve our general understanding of granular material compaction physics. This study will describe how an instrumented plunger impact system can be used to measure pressure-density relationships for model materials at high and controlled strain rates and subsequentlymore » used for computational modeling.« less

  17. Density functional theory in the solid state

    PubMed Central

    Hasnip, Philip J.; Refson, Keith; Probert, Matt I. J.; Yates, Jonathan R.; Clark, Stewart J.; Pickard, Chris J.

    2014-01-01

    Density functional theory (DFT) has been used in many fields of the physical sciences, but none so successfully as in the solid state. From its origins in condensed matter physics, it has expanded into materials science, high-pressure physics and mineralogy, solid-state chemistry and more, powering entire computational subdisciplines. Modern DFT simulation codes can calculate a vast range of structural, chemical, optical, spectroscopic, elastic, vibrational and thermodynamic phenomena. The ability to predict structure–property relationships has revolutionized experimental fields, such as vibrational and solid-state NMR spectroscopy, where it is the primary method to analyse and interpret experimental spectra. In semiconductor physics, great progress has been made in the electronic structure of bulk and defect states despite the severe challenges presented by the description of excited states. Studies are no longer restricted to known crystallographic structures. DFT is increasingly used as an exploratory tool for materials discovery and computational experiments, culminating in ex nihilo crystal structure prediction, which addresses the long-standing difficult problem of how to predict crystal structure polymorphs from nothing but a specified chemical composition. We present an overview of the capabilities of solid-state DFT simulations in all of these topics, illustrated with recent examples using the CASTEP computer program. PMID:24516184

  18. Scientific conferences: A big hello to halogen bonding

    NASA Astrophysics Data System (ADS)

    Erdelyi, Mate

    2014-09-01

    Halogen bonding connects a wide range of subjects -- from materials science to structural biology, from computation to crystal engineering, and from synthesis to spectroscopy. The 1st International Symposium on Halogen Bonding explored the state of the art in this fast-growing field of research.

  19. Software Applications on the Peregrine System | High-Performance Computing

    Science.gov Websites

    programming and optimization. Gaussian Chemistry Program for calculating molecular electronic structure and Materials Science Open-source classical molecular dynamics program designed for massively parallel systems framework Q-Chem Chemistry ab initio quantum chemistry package for predictin molecular structures

  20. The Educational Uses of Intermedia.

    ERIC Educational Resources Information Center

    Launhardt, Julie; Kahn, Paul

    1992-01-01

    Uses of Intermedia, computer software designed to help instructors express relationships between concepts in the sciences and humanities, are discussed. The kinds of educational problems Intermedia was intended to address are described, some materials created using it are surveyed, and experiences with Intermedia in various educational contexts…

  1. Applications of aerospace technology in the electric power industry

    NASA Technical Reports Server (NTRS)

    Johnson, F. D.; Heins, C. F.

    1974-01-01

    Existing applications of NASA contributions to disciplines such as combustion engineering, mechanical engineering, materials science, quality assurance and computer control are outlined to illustrate how space technology is used in the electric power industry. Corporate strategies to acquire relevant space technology are described.

  2. Democratizing data science through data science training.

    PubMed

    Van Horn, John Darrell; Fierro, Lily; Kamdar, Jeana; Gordon, Jonathan; Stewart, Crystal; Bhattrai, Avnish; Abe, Sumiko; Lei, Xiaoxiao; O'Driscoll, Caroline; Sinha, Aakanchha; Jain, Priyambada; Burns, Gully; Lerman, Kristina; Ambite, José Luis

    2018-01-01

    The biomedical sciences have experienced an explosion of data which promises to overwhelm many current practitioners. Without easy access to data science training resources, biomedical researchers may find themselves unable to wrangle their own datasets. In 2014, to address the challenges posed such a data onslaught, the National Institutes of Health (NIH) launched the Big Data to Knowledge (BD2K) initiative. To this end, the BD2K Training Coordinating Center (TCC; bigdatau.org) was funded to facilitate both in-person and online learning, and open up the concepts of data science to the widest possible audience. Here, we describe the activities of the BD2K TCC and its focus on the construction of the Educational Resource Discovery Index (ERuDIte), which identifies, collects, describes, and organizes online data science materials from BD2K awardees, open online courses, and videos from scientific lectures and tutorials. ERuDIte now indexes over 9,500 resources. Given the richness of online training materials and the constant evolution of biomedical data science, computational methods applying information retrieval, natural language processing, and machine learning techniques are required - in effect, using data science to inform training in data science. In so doing, the TCC seeks to democratize novel insights and discoveries brought forth via large-scale data science training.

  3. Democratizing data science through data science training

    PubMed Central

    Van Horn, John Darrell; Fierro, Lily; Kamdar, Jeana; Gordon, Jonathan; Stewart, Crystal; Bhattrai, Avnish; Abe, Sumiko; Lei, Xiaoxiao; O’Driscoll, Caroline; Sinha, Aakanchha; Jain, Priyambada; Burns, Gully; Lerman, Kristina; Ambite, José Luis

    2017-01-01

    The biomedical sciences have experienced an explosion of data which promises to overwhelm many current practitioners. Without easy access to data science training resources, biomedical researchers may find themselves unable to wrangle their own datasets. In 2014, to address the challenges posed such a data onslaught, the National Institutes of Health (NIH) launched the Big Data to Knowledge (BD2K) initiative. To this end, the BD2K Training Coordinating Center (TCC; bigdatau.org) was funded to facilitate both in-person and online learning, and open up the concepts of data science to the widest possible audience. Here, we describe the activities of the BD2K TCC and its focus on the construction of the Educational Resource Discovery Index (ERuDIte), which identifies, collects, describes, and organizes online data science materials from BD2K awardees, open online courses, and videos from scientific lectures and tutorials. ERuDIte now indexes over 9,500 resources. Given the richness of online training materials and the constant evolution of biomedical data science, computational methods applying information retrieval, natural language processing, and machine learning techniques are required - in effect, using data science to inform training in data science. In so doing, the TCC seeks to democratize novel insights and discoveries brought forth via large-scale data science training. PMID:29218890

  4. The Computational Science Education Reference Desk: A tool for increasing inquiry based learning in the science classroom

    NASA Astrophysics Data System (ADS)

    Joiner, D. A.; Stevenson, D. E.; Panoff, R. M.

    2000-12-01

    The Computational Science Reference Desk is an online tool designed to provide educators in math, physics, astronomy, biology, chemistry, and engineering with information on how to use computational science to enhance inquiry based learning in the undergraduate and pre college classroom. The Reference Desk features a showcase of original content exploration activities, including lesson plans and background materials; a catalog of websites which contain models, lesson plans, software, and instructional resources; and a forum to allow educators to communicate their ideas. Many of the recent advances in astronomy rely on the use of computer simulation, and tools are being developed by CSERD to allow students to experiment with some of the models that have guided scientific discovery. One of these models allows students to study how scientists use spectral information to determine the makeup of the interstellar medium by modeling the interstellar extinction curve using spherical grains of silicate, amorphous carbon, or graphite. Students can directly compare their model to the average interstellar extinction curve, and experiment with how small changes in their model alter the shape of the interstellar extinction curve. A simpler model allows students to visualize spatial relationships between the Earth, Moon, and Sun to understand the cause of the phases of the moon. A report on the usefulness of these models in two classes, the Computational Astrophysics workshop at The Shodor Education Foundation and the Conceptual Astronomy class at the University of North Carolina at Greensboro, will be presented.

  5. 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

  6. 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.

  7. Laboratory Directed Research and Development FY2011 Annual Report

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

    Craig, W; Sketchley, J; Kotta, P

    2012-03-22

    A premier applied-science laboratory, Lawrence Livermore National Laboratory (LLNL) has earned the reputation as a leader in providing science and technology solutions to the most pressing national and global security problems. The LDRD Program, established by Congress at all DOE national laboratories in 1991, is LLNL's most important single resource for fostering excellent science and technology for today's needs and tomorrow's challenges. The LDRD internally directed research and development funding at LLNL enables high-risk, potentially high-payoff projects at the forefront of science and technology. The LDRD Program at Livermore serves to: (1) Support the Laboratory's missions, strategic plan, and foundationalmore » science; (2) Maintain the Laboratory's science and technology vitality; (3) Promote recruiting and retention; (4) Pursue collaborations; (5) Generate intellectual property; and (6) Strengthen the U.S. economy. Myriad LDRD projects over the years have made important contributions to every facet of the Laboratory's mission and strategic plan, including its commitment to nuclear, global, and energy and environmental security, as well as cutting-edge science and technology and engineering in high-energy-density matter, high-performance computing and simulation, materials and chemistry at the extremes, information systems, measurements and experimental science, and energy manipulation. A summary of each project was submitted by the principal investigator. Project summaries include the scope, motivation, goals, relevance to DOE/NNSA and LLNL mission areas, the technical progress achieved in FY11, and a list of publications that resulted from the research. The projects are: (1) Nuclear Threat Reduction; (2) Biosecurity; (3) High-Performance Computing and Simulation; (4) Intelligence; (5) Cybersecurity; (6) Energy Security; (7) Carbon Capture; (8) Material Properties, Theory, and Design; (9) Radiochemistry; (10) High-Energy-Density Science; (11) Laser Inertial-Fusion Energy; (12) Advanced Laser Optical Systems and Applications; (12) Space Security; (13) Stockpile Stewardship Science; (14) National Security; (15) Alternative Energy; and (16) Climatic Change.« less

  8. Ab initio calculations for industrial materials engineering: successes and challenges.

    PubMed

    Wimmer, Erich; Najafabadi, Reza; Young, George A; Ballard, Jake D; Angeliu, Thomas M; Vollmer, James; Chambers, James J; Niimi, Hiroaki; Shaw, Judy B; Freeman, Clive; Christensen, Mikael; Wolf, Walter; Saxe, Paul

    2010-09-29

    Computational materials science based on ab initio calculations has become an important partner to experiment. This is demonstrated here for the effect of impurities and alloying elements on the strength of a Zr twist grain boundary, the dissociative adsorption and diffusion of iodine on a zirconium surface, the diffusion of oxygen atoms in a Ni twist grain boundary and in bulk Ni, and the dependence of the work function of a TiN-HfO(2) junction on the replacement of N by O atoms. In all of these cases, computations provide atomic-scale understanding as well as quantitative materials property data of value to industrial research and development. There are two key challenges in applying ab initio calculations, namely a higher accuracy in the electronic energy and the efficient exploration of large parts of the configurational space. While progress in these areas is fueled by advances in computer hardware, innovative theoretical concepts combined with systematic large-scale computations will be needed to realize the full potential of ab initio calculations for industrial applications.

  9. 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

  10. Summer Institute for Physical Science Teachers

    NASA Astrophysics Data System (ADS)

    Maheswaranathan, Ponn; Calloway, Cliff

    2007-04-01

    A summer institute for physical science teachers was conducted at Winthrop University, June 19-29, 2006. Ninth grade physical science teachers at schools within a 50-mile radius from Winthrop were targeted. We developed a graduate level physics professional development course covering selected topics from both the physics and chemistry content areas of the South Carolina Science Standards. Delivery of the material included traditional lectures and the following new approaches in science teaching: hands-on experiments, group activities, computer based data collection, computer modeling, with group discussions & presentations. Two experienced master teachers assisted us during the delivery of the course. The institute was funded by the South Carolina Department of Education. The requested funds were used for the following: faculty salaries, the University contract course fee, some of the participants' room and board, startup equipment for each teacher, and indirect costs to Winthrop University. Startup equipment included a Pasco stand-alone, portable Xplorer GLX interface with sensors (temperature, voltage, pH, pressure, motion, and sound), and modeling software (Wavefunction's Spartan Student and Odyssey). What we learned and ideas for future K-12 teacher preparation initiatives will be presented.

  11. Levitating Trains and Kamikaze Genes: Technological Literacy for the Future

    NASA Astrophysics Data System (ADS)

    Brennan, Richard P.

    1994-08-01

    A lively survey of the horizons of modern technology. Provides easy-to-read summaries of the state of the art in space science, biotechnology, computer science, exotic energy sources and materials engineering as well as life-enhancing medical advancements and environmental, transportation and defense/weapons technologies. Each chapter explains how a current or future technology works and provides an understanding of the underlying scientific concepts. Includes an extensive self-test to review your knowledge.

  12. Cumulative Index to NASA Tech Briefs

    NASA Technical Reports Server (NTRS)

    1969-01-01

    Tech Briefs are short announcements of new technology derived from the R&D activities of the National Aeronautics and Space Administration. This Index to NASA Tech Briefs lists the technological innovations derived from the U.S. space program and published during the period January through December 1968. A new five year cycle of cumulative indexes begins with this index. The main section is arranged in six categories: Electrical (Electronic); Physical Sciences (Energy Sources); Materials (Chemistry); Life Sciences; Mechanical; and Computer Programs.

  13. RNA as a stable polymer to build controllable and defined nanostructures for material and biomedical applications

    PubMed Central

    Li, Hui; Lee, Taek; Dziubla, Thomas; Pi, Fengmei; Guo, Sijin; Xu, Jing; Li, Chan; Haque, Farzin; Liang, Xing-Jie; Guo, Peixuan

    2015-01-01

    Summary The value of polymers is manifested in their vital use as building blocks in material and life sciences. Ribonucleic acid (RNA) is a polynucleic acid, but its polymeric nature in materials and technological applications is often overlooked due to an impression that RNA is seemingly unstable. Recent findings that certain modifications can make RNA resistant to RNase degradation while retaining its authentic folding property and biological function, and the discovery of ultra-thermostable RNA motifs have adequately addressed the concerns of RNA unstability. RNA can serve as a unique polymeric material to build varieties of nanostructures including nanoparticles, polygons, arrays, bundles, membrane, and microsponges that have potential applications in biomedical and material sciences. Since 2005, more than a thousand publications on RNA nanostructures have been published in diverse fields, indicating a remarkable increase of interest in the emerging field of RNA nanotechnology. In this review, we aim to: delineate the physical and chemical properties of polymers that can be applied to RNA; introduce the unique properties of RNA as a polymer; review the current methods for the construction of RNA nanostructures; describe its applications in material, biomedical and computer sciences; and, discuss the challenges and future prospects in this field. PMID:26770259

  14. Quantitative and Qualitative Evaluation of The Structural Designing of Medical Informatics Dynamic Encyclopedia

    PubMed Central

    Safdari, Reza; Shahmoradi, Leila; Hosseini-beheshti, Molouk-sadat; Nejad, Ahmadreza Farzaneh; Hosseiniravandi, Mohammad

    2015-01-01

    Introduction: Encyclopedias and their compilation have become so prevalent as a valid cultural medium in the world. The daily development of computer industry and the expansion of various sciences have made indispensable the compilation of electronic, specialized encyclopedias, especially the web-based ones. Materials and Methods: This is an applied-developmental study conducted in 2014. First, the main terms in the field of medical informatics were gathered using MeSH Online 2014 and the supplementary terms of each were determined, and then the tree diagram of the terms was drawn based on their relationship in MeSH. Based on the studies done by the researchers, the tree diagram of the encyclopedia was drawn with respect to the existing areas in this field, and the terms gathered were put in related domains. Findings: In MeSH, 75 preferred terms together with 249 supplementary ones were indexed. One of the informatics’ sub-branches is biomedical informatics and health which itself consists of three sub-divisions of bioinformatics, clinical informatics, and health informatics. Medical informatics which is a subdivision of clinical informatics has developed from the three fields of medical sciences, management and social sciences, and computational sciences and mathematics. Results and Discussion: Medical Informatics is created of confluence and fusion and applications of the three major scientific branches include health and biological sciences, social sciences and management sciences, computing and mathematical sciences, and according to that the structure of MeSH is weak for future development of Encyclopedia of Medical Informatics. PMID:26635440

  15. Hadfield poses with MSL FLSS in the Node 2

    NASA Image and Video Library

    2012-12-23

    View of Canada Space Agency (CSA) Chris Hadfield, Expedition 34 Flight Engineer (FE), poses with a Materials Science Laboratory (MSL) Furnace Launch Support Structure (FLSS) in the U.S. Laboratory. Tom Marshburn (background), Expedition 34 FE uses laptop computer. Photo was taken during Expedition 34.

  16. Laser Light: Using Laser Refractometry to Determine Concentration.

    ERIC Educational Resources Information Center

    Gauger, Robert

    1995-01-01

    Laser refractometry is a science-technology-based activity that requires students to manipulate a variety of equipment, tools, materials, and critical-thinking skills. Students use a laser to measure the percent of glucose in a solution by calibrating the system, taking measurements, and computing the concentration. (MKR)

  17. Graded SPSS Exercises.

    ERIC Educational Resources Information Center

    Allen, Mary J.

    The attached materials have been developed for use on the CSU CYBER Computer's Statistical Package for the Social Sciences (SPSSONL). The assignments are graded in difficulty and gradually introduce new commands and require the practice of previously learned commands. The handouts begin with basic instructions for logging on; then XEDIT is taught…

  18. Know Your Discipline: Teaching the Philosophy of Computer Science

    ERIC Educational Resources Information Center

    Tedre, Matti

    2007-01-01

    The diversity and interdisciplinarity of computer science and the multiplicity of its uses in other sciences make it hard to define computer science and to prescribe how computer science should be carried out. The diversity of computer science also causes friction between computer scientists from different branches. Computer science curricula, as…

  19. 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.

  20. 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

  1. Computer Applications in Health Science Education.

    PubMed

    Juanes, Juan A; Ruisoto, Pablo

    2015-09-01

    In recent years, computer application development has experienced exponential growth, not only in the number of publications but also in the scope or contexts that have benefited from its use. In health science training, and medicine specifically, the gradual incorporation of technological developments has transformed the teaching and learning process, resulting in true "educational technology". The goal of this paper is to review the main features involved in these applications and highlight the main lines of research for the future. The results of peer reviewed literature published recently indicate the following features shared by the key technological developments in the field of health science education: first, development of simulation and visualization systems for a more complete and realistic representation of learning material over traditional paper format; second, portability and versatility of the applications, adapted for an increasing number of devices and operative systems; third, increasing focus on open source applications such as Massive Open Online Course (MOOC).

  2. User's Guide for ERB 7 Matrix. Volume 1: Experiment Description and Quality Control Report for Year 1

    NASA Technical Reports Server (NTRS)

    Tighe, R. J.; Shen, M. Y. H.

    1984-01-01

    The Nimbus 7 ERB MATRIX Tape is a computer program in which radiances and irradiances are converted into fluxes which are used to compute the basic scientific output parameters, emitted flux, albedo, and net radiation. They are spatially averaged and presented as time averages over one-day, six-day, and monthly periods. MATRIX data for the period November 16, 1978 through October 31, 1979 are presented. Described are the Earth Radiation Budget experiment, the Science Quality Control Report, Items checked by the MATRIX Science Quality Control Program, and Science Quality Control Data Analysis Report. Additional material from the detailed scientific quality control of the tapes which may be very useful to a user of the MATRIX tapes is included. Known errors and data problems and some suggestions on how to use the data for further climatologic and atmospheric physics studies are also discussed.

  3. The OptIPuter microscopy demonstrator: enabling science through a transatlantic lightpath

    PubMed Central

    Ellisman, M.; Hutton, T.; Kirkland, A.; Lin, A.; Lin, C.; Molina, T.; Peltier, S.; Singh, R.; Tang, K.; Trefethen, A.E.; Wallom, D.C.H.; Xiong, X.

    2009-01-01

    The OptIPuter microscopy demonstrator project has been designed to enable concurrent and remote usage of world-class electron microscopes located in Oxford and San Diego. The project has constructed a network consisting of microscopes and computational and data resources that are all connected by a dedicated network infrastructure using the UK Lightpath and US Starlight systems. Key science drivers include examples from both materials and biological science. The resulting system is now a permanent link between the Oxford and San Diego microscopy centres. This will form the basis of further projects between the sites and expansion of the types of systems that can be remotely controlled, including optical, as well as electron, microscopy. Other improvements will include the updating of the Microsoft cluster software to the high performance computing (HPC) server 2008, which includes the HPC basic profile implementation that will enable the development of interoperable clients. PMID:19487201

  4. The OptIPuter microscopy demonstrator: enabling science through a transatlantic lightpath.

    PubMed

    Ellisman, M; Hutton, T; Kirkland, A; Lin, A; Lin, C; Molina, T; Peltier, S; Singh, R; Tang, K; Trefethen, A E; Wallom, D C H; Xiong, X

    2009-07-13

    The OptIPuter microscopy demonstrator project has been designed to enable concurrent and remote usage of world-class electron microscopes located in Oxford and San Diego. The project has constructed a network consisting of microscopes and computational and data resources that are all connected by a dedicated network infrastructure using the UK Lightpath and US Starlight systems. Key science drivers include examples from both materials and biological science. The resulting system is now a permanent link between the Oxford and San Diego microscopy centres. This will form the basis of further projects between the sites and expansion of the types of systems that can be remotely controlled, including optical, as well as electron, microscopy. Other improvements will include the updating of the Microsoft cluster software to the high performance computing (HPC) server 2008, which includes the HPC basic profile implementation that will enable the development of interoperable clients.

  5. NASA Tech Briefs, April 1995. Volume 19, No. 4

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This issue of the NASA Tech Briefs has a special focus section on video and imaging, a feature on the NASA invention of the year, and a resource report on the Dryden Flight Research Center. The issue also contains articles on electronic components and circuits, electronic systems, physical sciences, materials, computer programs, mechanics, machinery, manufacturing/fabrication, mathematics and information sciences and life sciences. In addition to the standard articles in the NASA Tech brief, this contains a supplement entitled "Laser Tech Briefs" which features an article on the National Ignition Facility, and other articles on the use of Lasers.

  6. Earth System Grid II, Turning Climate Datasets into Community Resources

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

    Middleton, Don

    2006-08-01

    The Earth System Grid (ESG) II project, funded by the Department of Energy’s Scientific Discovery through Advanced Computing program, has transformed climate data into community resources. ESG II has accomplished this goal by creating a virtual collaborative environment that links climate centers and users around the world to models and data via a computing Grid, which is based on the Department of Energy’s supercomputing resources and the Internet. Our project’s success stems from partnerships between climate researchers and computer scientists to advance basic and applied research in the terrestrial, atmospheric, and oceanic sciences. By interfacing with other climate science projects,more » we have learned that commonly used methods to manage and remotely distribute data among related groups lack infrastructure and under-utilize existing technologies. Knowledge and expertise gained from ESG II have helped the climate community plan strategies to manage a rapidly growing data environment more effectively. Moreover, approaches and technologies developed under the ESG project have impacted datasimulation integration in other disciplines, such as astrophysics, molecular biology and materials science.« less

  7. 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.

  8. Teaching Computer Languages and Elementary Theory for Mixed Audiences at University Level

    NASA Astrophysics Data System (ADS)

    Christiansen, Henning

    2004-09-01

    Theoretical issues of computer science are traditionally taught in a way that presupposes a solid mathematical background and are usually considered more or less inaccessible for students without this. An effective methodology is described which has been developed for a target group of university students with different backgrounds such as natural science or humanities. It has been developed for a course that integrates theoretical material on computer languages and abstract machines with practical programming techniques. Prolog used as meta-language for describing language issues is the central instrument in the approach: Formal descriptions become running prototypes that are easy and appealing to test and modify, and can be extended into analyzers, interpreters, and tools such as tracers and debuggers. Experience shows a high learning curve, especially when the principles are extended into a learning-by-doing approach having the students to develop such descriptions themselves from an informal introduction.

  9. Workflow Management Systems for Molecular Dynamics on Leadership Computers

    NASA Astrophysics Data System (ADS)

    Wells, Jack; Panitkin, Sergey; Oleynik, Danila; Jha, Shantenu

    Molecular Dynamics (MD) simulations play an important role in a range of disciplines from Material Science to Biophysical systems and account for a large fraction of cycles consumed on computing resources. Increasingly science problems require the successful execution of ''many'' MD simulations as opposed to a single MD simulation. There is a need to provide scalable and flexible approaches to the execution of the workload. We present preliminary results on the Titan computer at the Oak Ridge Leadership Computing Facility that demonstrate a general capability to manage workload execution agnostic of a specific MD simulation kernel or execution pattern, and in a manner that integrates disparate grid-based and supercomputing resources. Our results build upon our extensive experience of distributed workload management in the high-energy physics ATLAS project using PanDA (Production and Distributed Analysis System), coupled with recent conceptual advances in our understanding of workload management on heterogeneous resources. We will discuss how we will generalize these initial capabilities towards a more production level service on DOE leadership resources. This research is sponsored by US DOE/ASCR and used resources of the OLCF computing facility.

  10. Quantum Testbeds Stakeholder Workshop (QTSW) Report meeting purpose and agenda.

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

    Hebner, Gregory A.

    Quantum computing (QC) is a promising early-stage technology with the potential to provide scientific computing capabilities far beyond what is possible with even an Exascale computer in specific problems of relevance to the Office of Science. These include (but are not limited to) materials modeling, molecular dynamics, and quantum chromodynamics. However, commercial QC systems are not yet available and the technical maturity of current QC hardware, software, algorithms, and systems integration is woefully incomplete. Thus, there is a significant opportunity for DOE to define the technology building blocks, and solve the system integration issues to enable a revolutionary tool. Oncemore » realized, QC will have world changing impact on economic competitiveness, the scientific enterprise, and citizen well-being. Prior to this workshop, DOE / Office of Advanced Scientific Computing Research (ASCR) hosted a workshop in 2015 to explore QC scientific applications. The goal of that workshop was to assess the viability of QC technologies to meet the computational requirements in support of DOE’s science and energy mission and to identify the potential impact of these technologies.« less

  11. Materials, Chemistry, and Simulation for Future Energy Technology.

    PubMed

    Aguey-Zinsou, Kondo-Francois; Wang, Da-Wei; Su, Dang-Sheng

    2015-09-07

    Special Issue: The Future of Energy. The science and engineering of clean energy now is becoming a multidisciplinary area, typically when new materials, chemistry, or mechanisms are met. "Trial and error" is the past. Exploration of new concepts for future clean energy can be accomplished through computer-aided materials design and reaction simulation, thanks to innovations in information technologies. This special issue, a fruit of the Energy Future Conference organized by UNSW Australia, has compiled some excellent examples of such approaches. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Modeling Electrostatic Fields Generated by Internal Charging of Materials in Space Radiation Environments

    NASA Technical Reports Server (NTRS)

    Minow, Joseph I.

    2011-01-01

    Internal charging is a risk to spacecraft in energetic electron environments. DICTAT, NU MIT computational codes are the most widely used engineering tools for evaluating internal charging of insulator materials exposed to these environments. Engineering tools are designed for rapid evaluation of ESD threats, but there is a need for more physics based models for investigating the science of materials interactions with energetic electron environments. Current tools are limited by the physics included in the models and ease of user implementation .... additional development work is needed to improve models.

  13. 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

  14. GUIDE-0: An Experimental Information System.

    ERIC Educational Resources Information Center

    Murai, Shinnichi

    A description is provided of GUIDE-0, an experimental information system. The system serves as a bibliographic aid for students who are taking introductory computer science courses whose material is at least partially implemented via PLATO-IV lessons. Following a brief introduction to the system in Chapter I, the second Chapter describes the…

  15. 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)

  16. Students Teach Students: Alternative Teaching in Greek Secondary Education

    ERIC Educational Resources Information Center

    Theodoropoulos, Anastasios; Antoniou, Angeliki; Lepouras, George

    2016-01-01

    The students of a Greek junior high school collaborated to prepare the teaching material of a theoretical Computer Science (CS) course and then shared their understanding with other students. This study investigates two alternative teaching methods (collaborative learning and peer tutoring) and compares the learning results to the traditional…

  17. Ultra-fast Object Recognition from Few Spikes

    DTIC Science & Technology

    2005-07-06

    Computer Science and Artificial Intelligence Laboratory Ultra-fast Object Recognition from Few Spikes Chou Hung, Gabriel Kreiman , Tomaso Poggio...neural code for different kinds of object-related information. *The authors, Chou Hung and Gabriel Kreiman , contributed equally to this work...Supplementary Material is available at http://ramonycajal.mit.edu/ kreiman /resources/ultrafast

  18. An Interactive Learning Environment for Information and Communication Theory

    ERIC Educational Resources Information Center

    Hamada, Mohamed; Hassan, Mohammed

    2017-01-01

    Interactive learning tools are emerging as effective educational materials in the area of computer science and engineering. It is a research domain that is rapidly expanding because of its positive impacts on motivating and improving students' performance during the learning process. This paper introduces an interactive learning environment for…

  19. Hadfield poses with MSL FLSS in the Node 2

    NASA Image and Video Library

    2012-12-23

    ISS034-E-010603 (28 Dec. 2012) --- Canadian Space Agency astronaut Chris Hadfield, Expedition 34 flight engineer, poses with a Materials Science Laboratory (MSL) Furnace Launch Support Structure (FLSS) in the Destiny laboratory of the International Space Station. NASA astronaut Tom Marshburn, flight engineer, uses a computer in the background.

  20. Tutorial on Generalized Programming Language s and Systems. Instructor Edition.

    ERIC Educational Resources Information Center

    Fasana, Paul J., Ed.; Shank, Russell, Ed.

    This instructor's manual is a comparative analysis and review of the various computer programing languages currently available and their capabilities for performing text manipulation, information storage, and data retrieval tasks. Based on materials presented at the 1967 Convention of the American Society for Information Science, the manual…

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