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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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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.
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.
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;
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.
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.
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
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
In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.
Here, we provide an overview of the software engineering efforts and their impact in QMCPACK, a production-level ab-initio Quantum Monte Carlo open-source code targeting high-performance computing (HPC) systems. Aspects included are: (i) strategic expansion of continuous integration (CI) targeting CPUs, using GitHub Actions own runners, and NVIDIA and AMD GPUs used in pre-exascale systems, (ii) incremental reduction of memory leaks using sanitizers, (iii) incorporation of Docker containers for CI and reproducibility, and (iv) refactoring efforts to improve maintainability, testing coverage, and memory lifetime management. We quantify the value of these improvements by providing metrics to illustrate the shift towards a predictive, rather than reactive, maintenance approach. Our goal, in documenting the impact of these efforts on QMCPACK, is to contribute to the body of knowledge on the importance of research software engineering (RSE) for the stewardship and advancement of community HPC codes to enable scientific discovery at scale.
The objective of this research program is to discover and develop new approaches for ab initio computational simulations of molecular motion. Specifically, this program aims to decipher the connection between the underlying electronic structure and the accordant molecular vibrations in reactive ions and radicals for renewable-energy purposes. Recent experimental progress in ion sources and optical spectroscopies has unearthed considerable new inner-sphere detail for these complexes, but the connection between these spectral signatures and mechanistic information often remains elusive, to the continued frustration of experimentalists. For this purpose, new anharmonic vibrational frequency methods, along with a publicly deployed software package, will be developed. Working closely with committed experimental collaborators, this conceptual and computational framework will be used to explain the results of new spectroscopy experiments, focusing specifically on the inner-shell mechanisms of renewable-energy catalysis. The oxidation half of catalytic water-splitting chemistry will be a central focus, along with fundamental studies of the manner in which strong ions and radicals activate solvent as a chemical species. The resulting products of the research program will include openly available software and algorithms for the ab initio simulation of challenging vibrational spectra, as well as critical mechanistic insight into energy-focused catalytic processes that are opaque to other existing analytical techniques.
Computer program developed that provides mathematical solution to design and construction of combustion chambers for jet engines. Improved results in areas of combustor flow fields accomplished by this computerprogram solution, cheaper and quicker than experiments involving real systems for models.
The present paper proviees a listing of all of the English books and some of the foreign books on finite element technology, taking into account also a list of the conference proceedings devoted solely to finite elements. The references are divided into categories. Attention is given to fundamentals, mathematical foundations, structural and solid mechanics applications, fluid mechanics applications, other applied science and engineering applications, computer implementation and software systems, computational and modeling aspects, special topics, boundary element methods, proceedings of symmposia and conferences on finite element technology, bibliographies, handbooks, and historical accounts.
The proper role and scope for the use of discrete mathematics and formal methods in support of engineering the security and integrity of components within deployed computer systems are discussed. It is proposed that the Z schema can be used as the specification language to capture the precise definition of system and component interfaces. This can be accomplished with an object oriented development paradigm.
The Telescience Support Center (TSC) team has developed a databasedriven, increment-specific Data Require - ment Document (DRD) generation tool that automates much of the work required for generating and formatting the DRD. It creates a database to load the required changes to configure the TSC data system, thus eliminating a substantial amount of labor in database entry and formatting. The TSC database contains the TSC systems configuration, along with the experimental data, in which human physiological data must be de-commutated in real time. The data for each experiment also must be cataloged and archived for future retrieval. TSC software provides tools and resources for ground operation and data distribution to remote users consisting of PIs (principal investigators), bio-medical engineers, scientists, engineers, payload specialists, and computer scientists. Operations support is provided for computer systems access, detailed networking, and mathematical and computational problems of the International Space Station telemetry data. User training is provided for on-site staff and biomedical researchers and other remote personnel in the usage of the space-bound services via the Internet, which enables significant resource savings for the physical facility along with the time savings versus traveling to NASA sites. The software used in support of the TSC could easily be adapted to other Control Center applications. This would include not only other NASA payload monitoring facilities, but also other types of control activities, such as monitoring and control of the electric grid, chemical, or nuclear plant processes, air traffic control, and the like.
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.
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;
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.
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