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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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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Tomographic analysis of tangential viewing cameras (invited)

Many tokamaks now use visible light cameras to observe plasma-wall interactions and integrated line emission. The DIII-D coherence imaging spectroscopy diagnostic cameras image interferograms that encode line integrated velocity. By modeling the 2D camera image pixels as line of sight integrals through an axisymmetric discrete grid, it is possible to do tomographic analysis to determine the local plasma line emissivity and parallel velocity. Approaches to solve the inverse problem posed by these tangential viewing cameras are presented. The inversion begins with calculation of the sparse response matrix that encompasses all the geometry and diagnostic information and reduces the process of image formation to a sparse matrix-vector multiply. Our report includes techniques for determining the detailed geometry of the camera views and methods for handling physical quantities that vary spatially. Additionally, the size of the response matrix has driven the development of capability to distribute the coarse parallel calculation across a heterogeneous cluster of computers on the Energy Sciences Network. Iterative techniques are then used to solve the sparse matrix-vector linear system

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Current and future directions in network biology

Network biology is an interdisciplinary field bridging computational and biological sciences that has proved pivotal in advancing the understanding of cellular functions and diseases across biological systems and scales. Although the field has been around for two decades, it remains nascent. It has witnessed rapid evolution, accompanied by emerging challenges. These stem from various factors, notably the growing complexity and volume of data together with the increased diversity of data types describing different tiers of biological organization. We discuss prevailing research directions in network biology, focusing on molecular/cellular networks but also on other biological network types such as biomedical knowledge graphs, patient similarity networks, brain networks, and social/contact networks relevant to disease spread. In more detail, we highlight areas of inference and comparison of biological networks, multimodal data integration and heterogeneous networks, higher-order network analysis, machine learning on networks, and network-based personalized medicine. Following the overview of recent breakthroughs across these five areas, we offer a perspective on future directions of network biology. Additionally, we discuss scientific communities, educational initiatives, and the importance of fostering diversity within the field. This article establishes a roadmap for an immediate and long-term vision for network biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

ExaMPM

ExaMPM is a mini-application for the Material Point Method (MPM) for studying the application of MPM to future exascale computing systems. MPM is a general method for computational mechanics and fluids and is used in a wide variety of science and engineering disciplines to study problems with large deformations, phase change, fracture, and other phenomena. ExaMPM provides a reference implementation of MPM as described in the 1994 work of Sulsky et.al. (Sulsky, Deborah, Zhen Chen, and Howard L. Schreyer. "A particle method for history-dependent materials." Computer methods in applied mechanics and engineering 118.1-2 (1994): 179-196.). The software can solve basic MPM problems in solid mechanics using the original algorithm of Sulsky with explicit time integration, basic geometries, and free-slip and no-slip boundary conditions as described in the reference. ExaMPM is intended to be used as a starting point to design new parallel algorithms for the next generation of DOE supercomputers.

Slattery, StuartR↗
DOE OSTI2025

Accelerating Control Systems with GitOps: A Path to Automation and Reliability

GitOps is a foundational approach for modernizing infrastructure by leveraging Git as the single source of truth for declarative configurations. The poster explores how GitOps transforms traditional control system infrastructure, services and applications by enabling fully automated, auditable, and version-controlled infrastructure management. Cloud-native and containerized environments are shifting the ecosystem not only in the IT industry but also within the computational science field, as is the case of CERN and Diamond Light Source among other Accelerator/Science facilities which are slowly shifting towards modern software and infrastructure paradigms. The ACORN project, which aims to modernize Fermilab’s control system infrastructure and software is implementing proven best-practices and cutting-edge technology standards including GitOps, containerization, infrastructure as code and modern data pipelines for control system data acquisition and the inclusion of AI/ML in our accelerator complex.

Gonzalez, M. [Fermilab]↗
DOE OSTI2024

Current State, Challenges, and Opportunities in Genome-Scale Resource Allocation Models: A Mathematical Perspective

Stoichiometric genome-scale metabolic models (generally abbreviated GSM, GSMM, or GEM) have had many applications in exploring phenotypes and guiding metabolic engineering interventions. Nevertheless, these models and predictions thereof can become limited as they do not directly account for protein cost, enzyme kinetics, and cell surface or volume proteome limitations. Lack of such mechanistic detail could lead to overly optimistic predictions and engineered strains. Initial efforts to correct these deficiencies were by the application of precursor tools for GSMs, such as flux balance analysis with molecular crowding. In the past decade, several frameworks have been introduced to incorporate proteome-related limitations using a genome-scale stoichiometric model as the reconstruction basis, which herein are called resource allocation models (RAMs). This review provides a broad overview of representative or commonly used existing RAM frameworks. This review discusses increasingly complex models, beginning with stoichiometric models to precursor to RAM frameworks to existing RAM frameworks. RAM frameworks are broadly divided into two categories: coarse-grained and fine-grained, with different strengths and challenges. Discussion includes pinpointing their utility, data needs, highlighting framework strengths and limitations, and appropriateness to various research endeavors, largely through contrasting their mathematical frameworks. Finally, promising future applications of RAMs are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Diffusion Codes: Self-Correction from Small(er)-Set Expansion with Tunable Non-locality

Optimal constructions of classical LDPC codes can be obtained by choosing the Tanner graph uniformly at random among biregular graphs. We introduce a class of codes that we call ``diffusion codes'', defined by placing each edge connecting bits and checks on some graph, and acting on that graph with a random SWAP network. By tuning the depth of the SWAP network, we can tune a tradeoff between the amount of randomness -- and hence the optimality of code parameters -- and locality with respect to the underlying graph. For diffusion codes defined on the cycle graph, if the SWAP network has depth $\sim Tn$ with $T> n^{2β}$ for arbitrary $β>0$, then we prove that almost surely the Tanner graph is a lossless ``smaller set'' vertex expander for small sets up size $δ\sim \sqrt T \sim n^β$, with bounded bit and check degree. At the same time, the geometric size of the largest stabilizer is bounded by $\sqrt T$ in graph distance. We argue, based on physical intuition, that this result should hold more generally on arbitrary graphs. By taking hypergraph products of these classical codes we obtain quantum LDPC codes defined on the torus with smaller-set boundary and co-boundary expansion and the same expansion/locality tradeoffs as for the classical codes. These codes are self-correcting and admit single-shot decoding, while having the geometric size of the stabilizer growing as an arbitrarily small power law. Our proof technique establishes mixing of a random SWAP network on small subsystems at times scaling with only the subsystem size, which may be of independent interest.

Combinatorics (math.CO)↗
NASA NTRS2000

Science Application Teams

This paper discusses the science application team activities. Science Application team are: (1) Represent the diversity of NASA onboard computing of the future. (2) Drive architecture and system software requirements. (3) Demonstrate the benefit of highly capable computing onboard. (4) Study the birth of the first galaxies. (5) Study formation of stars. (6) Discusses the next generation space telescope hardware/software requirement: image processing and on-board optical calibration. Also discusses gamma ray large area space telescope; orbital thermal imaging spectrometer; solar terrestrial probe program; autonomous Mars rover;fault tolerance and errors.

Source record↗
NASA NTRSDate not supplied

Developing a Vision for Heliophysics Infrastructure: The LIKED Resource and the DIARieS Ecosystem

Heliophysics data and computational infrastracture are not equipped for 21st science, suffering from holes in the know-how to build better systems. Without a clear vision, efforts to improve the infrastructure have been incremental and incoherent. This poster presents both the vision and the technology required: an online LIbrary KnowledgE and Discovery (LIKED) resource for discovering and implementing knowledge, data, and infrastructure resources; and an online analysis ecosystem to simplify Discovery, Implementation, Analysis, Reproducibility, and Sharing (DIARieS) of scientific results and environments. The LIKED and DIARieS solutions adopt FAIR data principles and the best practices from the budding field of open science. The proposed new infrastructure components will close many of the current gaps in heliophysics’ infrastructure, such as the ability to search for data and knowledge by phenomenon across domains, and to find software and examples relevant to the desired data set (including model data). Further, these components will enable community members to more efficiently use the resources already present and improve upon the content via a community-curated and trusted library. Combining these solutions lowers the barriers to heliophysics resources for all, increasing the return on our investments. Finally, the structure behind these ideas are topic-agnostic, so they are fully extensible to other fields, leading to invaluable connections to other disciplines. Just as with the development and construction of a long-term satellite mission, we must work together as a community to build a vision of the infrastructure that will most benefit the community, and then collaborate to construct, assemble, and test all the necessary pieces individually and as a unit. Our purpose in presenting this work is to not only describe the proposed vision, but also to gather feedback from the community on this topic.

infrastructure↗
DOE OSTI2017

ExaMPM

ExaMPM is a mini-application for the Material Point Method (MPM) for studying the application of MPM to future exascale computing systems. MPM is a general method for computational mechanics and fluids and is used in a wide variety of science and engineering disciplines to study problems with large deformations, phase change, fracture, and other phenomena. ExaMPM provides a reference implementation of MPM as described in the 1994 work of Sulsky et.al. (Sulsky, Deborah, Zhen Chen, and Howard L. Schreyer. "A particle method for history-dependent materials." Computer methods in applied mechanics and engineering 118.1-2 (1994): 179-196.). The software can solve basic MPM problems in solid mechanics using the original algorithm of Sulsky with explicit time integration, basic geometries, and free-slip and no-slip boundary conditions as described in the reference. ExaMPM is intended to be used as a starting point to design new parallel algorithms for the next generation of DOE supercomputers.

Slattery, Stuart R↗
DOE OSTI2015

Building Virtual Ecosystems: Computational Challenges for Mechanistic Modeling of Terrestrial Environments Workshop, Germantown, Maryland, March 26–27, 2014

The mission of the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research (BER) within the U.S. Department of Energy’s (DOE) Office of Science is “to advance a robust, predictive understanding of Earth’s climate and environmental systems and to inform the development of sustainable solutions to the nation’s energy and environmental challenges.” This formidable challenge requires quantification of stocks and controls on states, fluxes, and residence times of water, carbon, and other key elements through all components of the terrestrial system. These components include vegetation, soils, the deep vadose zone, groundwater, and surface water. To achieve this level of predictive understanding, a new generation of multiscale, multiphysics models is needed for terrestrial systems—models that incorporate process couplings and feedbacks between various “pools” (i.e., vegetation, soils, subsurface aquifers, and surface waters) across wide ranges of spatial and temporal scales. To explore the potential of a new generation of multiscale, multiphysics models for revolutionizing the understanding of terrestrial ecosystem dynamics, BER held the Computational Challenges for Mechanistic Modeling of Terrestrial Environments workshop on March 26–27, 2014, in Germantown, Maryland. The workshop brought together 29 researchers with diverse expertise, including hydrologists, environmental scientists, ecologists, microbiologists, plant scientists, and computational scientists. Through a combination of invited talks, breakout sessions, and report-back discussions, workshop attendees identified challenges and research opportunities needed to develop a more seamless and continuous framework for mechanistic modeling of terrestrial environments extending from the bedrock to the atmospheric boundary layer and from single-plant systems to fields of crops to watersheds and river basins.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1991

Mass storage system experiences and future needs at the National Center for Atmospheric Research

A summary and viewgraphs of a discussion presented at the National Space Science Data Center (NSSDC) Mass Storage Workshop is included. Some of the experiences of the Scientific Computing Division at the National Center for Atmospheric Research (NCAR) dealing the the 'data problem' are discussed. A brief history and a development of some basic mass storage system (MSS) principles are given. An attempt is made to show how these principles apply to the integration of various components into NCAR's MSS. Future MSS needs for future computing environments is discussed.

Olear, Bernard T.↗
DOE OSTI2018

Subspace Density Matrix Functional Embedding Theory: Theory, Implementation, and Applications to Molecular Systems

We introduce the subspace density matrix functional embedding theory (sDMFET), in which optimization of the nonlocal embedding potential and subsequent embedded correlated wave function calculations are carried out within a truncated subspace determined by a Schmidt decomposition. As compared to the original density matrix functional embedding theory [K. Yu and E. A. Carter, Proceedings of the National Academy of Sciences 2017, 114, E10861], the computational cost of sDMFET is significantly reduced while the accuracy is preserved. Here, we perform test calculations for both covalently and noncovalently bound molecular systems to demonstrate the feasibility of our theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

TECA: Petascale pattern recognition for climate science

Climate Change is one of the most pressing challenges facing humanity in the 21st century. Climate simulations provide us with a unique opportunity to examine effects of anthropogenic emissions. Highresolution climate simulations produce “Big Data”: contemporary climate archives are ≈ 5PB in size and we expect future archives to measure on the order of Exa-Bytes. In this work, we present the successful application of TECA (Toolkit for Extreme Climate Analysis) framework, for extracting extreme weather patterns such as Tropical Cyclones, Atmospheric Rivers and Extra-Tropical Cyclones from TB-sized simulation datasets. TECA has been run at full-scale on Cray XE6 and IBM BG/Q systems, and has reduced the runtime for pattern detection tasks from years to hours. TECA has been utilized to evaluate the performance of various computational models in reproducing the statistics of extreme weather events, and for characterizing the change in frequency of storm systems in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

The experimental nuclear reaction data (EXFOR): Extended computer database and Web retrieval system

The EXchange FORmat (EXFOR) experimental nuclear reaction database and the associated Web interface provide access to the wealth of low- and intermediate-energy nuclear reaction physics data. This resource is based on numerical data sets and bibliographical information of ~22,000 experiments since the beginning of nuclear science. The principles of the computer database organization, its extended contents and Web applications development are described. New capabilities for the data sets uploads, renormalization, covariance matrix, and inverse reaction calculations are presented in this paper. The EXFOR database, updated monthly, provides an essential support for nuclear data evaluation, application development, and research activities. Finally, it is publicly available at the websites of the International Atomic Energy Agency Nuclear Data Section, http://www-nds.iaea.org/exfor, the U.S. National Nuclear Data Center, http://www.nndc.bnl.gov/exfor, and the mirror sites in China, India and Russian Federation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Climbing the Summit and Pushing the Frontier of Mixed Precision Benchmarks at Extreme Scale

The rise of machine learning (ML) applications and their use of mixed precision to perform interesting science are driving forces behind AI for science on HPC. The convergence of ML and HPC with mixed precision offers the possibility of transformational changes in computational science. The HPL-AI benchmark is designed to measure the performance of mixed precision arithmetic as opposed to the HPL benchmark which measures double precision performance. Pushing the limits of systems at extreme scale is nontrivial -little public literature explores optimization of mixed precision computations at this scale. In this work, we demonstrate how to scale up the HPL-AI benchmark on the pre-exascale Summit and exascale Frontier systems at the Oak Ridge Leadership Computing Facility (OLCF) with a cross-platform design. We present the implementation, performance results, and a guideline of optimization strategies employed for delivering portable performance on both AMD and NVIDIA GPUs at extreme scale.

Lu, Hao↗
DOE OSTI2021

Competitive binding of STATs to receptor phospho-Tyr motifs accounts for altered cytokine responses

Cytokines elicit pleiotropic and non-redundant activities despite strong overlap in their usage of receptors, JAKs and STATs molecules. We use IL-6 and IL-27 to ask how two cytokines activating the same signaling pathway have different biological roles. We found that IL-27 induces more sustained STAT1 phosphorylation than IL-6, with the two cytokines inducing comparable levels of STAT3 phosphorylation. Mathematical and statistical modeling of IL-6 and IL-27 signaling identified STAT3 binding to GP130, and STAT1 binding to IL-27Rα, as the main dynamical processes contributing to sustained pSTAT1 levels by IL-27. Mutation of Tyr613 on IL-27Rα decreased IL-27-induced STAT1 phosphorylation by 80% but had limited effect on STAT3 phosphorgylation. Strong receptor/STAT coupling by IL-27 initiated a unique gene expression program, which required sustained STAT1 phosphorylation and IRF1 expression and was enriched in classical Interferon Stimulated Genes. Interestingly, the STAT/receptor coupling exhibited by IL-6/IL-27 was altered in patients with systemic lupus erythematosus (SLE). IL-6/IL-27 induced a more potent STAT1 activation in SLE patients than in healthy controls, which correlated with higher STAT1 expression in these patients. Partial inhibition of JAK activation by sub-saturating doses of Tofacitinib specifically lowered the levels of STAT1 activation by IL-6. Our data show that receptor and STATs concentrations critically contribute to shape cytokine responses and generate functional pleiotropy in health and disease.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Conceptual studies on the integration of a nuclear reactor system to a manned rover for Mars missions

Multiyear civilian manned missions to explore the surface of Mars are thought by NASA to be possible early in the next century. Expeditions to Mars, as well as permanent bases, are envisioned to require enhanced piloted vehicles to conduct science and exploration activities. Piloted rovers, with 30 kWe user net power (for drilling, sampling and sample analysis, onboard computer and computer instrumentation, vehicle thermal management, and astronaut life support systems) in addition to mobility are being considered. The rover design, for this study, included a four car train type vehicle complete with a hybrid solar photovoltaic/regenerative fuel cell auxiliary power system (APS). This system was designed to power the primary control vehicle. The APS supplies life support power for four astronauts and a limited degree of mobility allowing the primary control vehicle to limp back to either a permanent base or an accent vehicle. The results showed that the APS described above, with a mass of 667 kg, was sufficient to provide live support power and a top speed of five km/h for 6 hours per day. It was also seen that the factors that had the largest effect on the APS mass were the life support power, the number of astronauts, and the PV cell efficiency. The topics covered include: (1) power system options; (2) rover layout and design; (3) parametric analysis of total mass and power requirements for a manned Mars rover; (4) radiation shield design; and (5) energy conversion systems.

El-Genk, Mohamed S.↗