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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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Artificial Intelligence (AI) is a collection of advanced technologies that allows machines to think and act, both humanly and rationally, through sensing, comprehending, acting and learning. AI's foundations lie at the intersection of several traditional fields Philosophy, Mathematics, Economics, Neuroscience, Psychology and Computer Science. Although the inception of AI started in the 1950's, it has recently made a strong comeback in all aspects of society and all over the world; this is mainly due to the timely combination of increased data volumes, advanced and mature algorithms, and improvements in computing power and storage. Current AI applications include big data analytics, robotics, intelligent sensing, assisted decision making, and speech recognition just to name a few.This workshop will be investigating how AI technologies can be adapted or developed to address the following challenges: Discover events of interest and correlations in large amounts of science data; improve the outcomes of science modeling and data assimilation using improved data processing, integration, and analysis. Design advisors for mission planning and operations, including anomaly detection and spacecraft health monitoring. Develop tools for engineering support, including advanced manufacturing, orbit determination, new component design and system engineering. Customize intelligent user interfaces, including visual analytics and natural language processing.
Artificial Intelligence (AI) is a collection of advanced technologies that allows machines to think and act, both humanly and rationally, through sensing, comprehending, acting and learning. AI's foundations lie at the intersection of several traditional fields Philosophy, Mathematics, Economics, Neuroscience, Psychology and Computer Science. Although the inception of AI started in the 1950's, it has recently made a strong comeback in all aspects of society and all over the world; this is mainly due to the timely combination of increased data volumes, advanced and mature algorithms, and improvements in computing power and storage. Current AI applications include big data analytics, robotics, intelligent sensing, assisted decision making, and speech recognition just to name a few. During the Tour, we will show a few examples of the current AI activities at NASA Goddard.
CASM is a software package that enables first-principles based studies of crystalline materials. It has been designed to treat coupled chemical, mechanical, vibrational, and magnetic degrees of freedom to determine ground state and finite temperature properties of crystals. The symmetry of the underlying parent crystal structure is used to enumerate perturbations of the parent crystal structure and generate derivative structures which can be input to first-principles calculations in order to explore the ground state energy landscape. CASM algorithmically constructs cluster expansions that fully couple discrete and continuous degrees of freedom, and generates highly efficient code to evaluate the cluster expansion basis functions. Widely used machine learning methods are integrated for fitting expansion coefficients to first-principle calculations. The fully parameterized cluster expansions can be combined with (kinetic) Monte Carlo methods to calculate finite temperature thermodynamic and kinetic properties. CASM Alloy Manager identifies distinct parent crystal structures in an alloy system, creating individual projects for each, and integrating the results. The integrated infrastructure facilitates the linkage between first-principles statistical mechanics predictions with higher length scale computational methods, such as phase field simulations. In conclusion, CASM projects are designed to be easy to share in repositories, to re-use, and to extend to include additional chemical species or types of degrees of freedom.
Computing stands to be radically improved by neuromorphic computing (NMC) approaches inspired by the brain's incredible efficiency and capabilities. Most NMC research, which aims to replicate the brain's computational structure and architecture in man-made hardware, has focused on artificial intelligence; however, less explored is whether this brain-inspired hardware can provide value beyond cognitive tasks. We demonstrate that high-degree parallelism and configurability of spiking neuromorphic architectures makes them well-suited to implement random walks via discrete time Markov chains. Such random walks are useful in Monte Carlo methods, which represent a fundamental computational tool for solving a wide range of numerical computing tasks. Additionally, we show how the mathematical basis for a probabilistic solution involving a class of stochastic differential equations can leverage those simulations to provide solutions for a range of broadly applicable computational tasks. Despite being in an early development stage, we find that NMC platforms, at a sufficient scale, can drastically reduce the energy demands of high-performance computing platforms.
Presentation outline: Introduction; Data Science at Scale; Feature Analysis; Tools and Frameworks; Comparative Data Reduction; Comparative Visualization; and, Conclusion.
Background The Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) is a consortium that aims to understand complex hydrologic, biogeochemical, and microbial connections within river corridors experiencing perturbations such as dam operations, floods, and droughts. For one ongoing WHONDRS sampling campaign, surface water metabolite and microbiome samples are collected through a global survey to generate knowledge across diverse river corridors. Metabolomics analysis and a suite of geochemical analyses have been performed for collected samples through the Environmental Molecular Sciences Laboratory (EMSL). The obtained knowledge and data package inform mechanistic and data-driven models to enhance predictions of outcomes of hydrologic perturbations and watershed function, one of the most critical components in model-data integration. To support efforts of the multi-domain integration and make the ever-growing data package more accessible for researchers across the world, a Shiny/R Graphical User Interface (GUI) called WHONDRS-GUI was created. Results The web application can be run on any modern web browser without any programming or operational system requirements, thus providing an open, well-structured, discoverable dataset for WHONDRS. Together with a context-aware dynamic user interface, the WHONDRS-GUI has functionality for searching, compiling, integrating, visualizing and exporting different data types that can easily be used by the community. The web application and data package are available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1484811 , which enables users to simultaneously obtain access to the data and code and to subsequently run the web app locally. The WHONDRS-GUI is also available for online use at Shiny Server ( https://xmlin.shinyapps.io/whondrs/ ).
A collection of x-ray computed tomography scans of specimens from the Museum of Southwestern Biology.
Exascale computers — supercomputers that can perform 10 18 floating point operations per second — started coming online in 2022: in the United States, Frontier launched as the first public exascale supercomputer and Aurora is due to open soon; OceanLight and Tianhe-3 are operational in China; and JUPITER is due to launch in 2023 in Europe. Supercomputers offer unprecedented opportunities for modelling complex materials. In this Viewpoint, five researchers working on different types of materials discuss the most promising directions in computational materials science.
This student intern presentation gives an overview of computer science and computer engineering for high school students.
Here, we present a comprehensive workflow to simulate single-phase flow and transport in fractured porous media using the discrete fracture matrix approach. The workflow has three primary parts: (1) a method for conforming mesh generation of and around a three-dimensional fracture network, (2) the discretization of the governing equations using a second-order mimetic finite difference method, and (3) implementation of numerical methods for high-performance computing environments. A method to create a conforming Delaunay tetrahedralization of the volume surrounding the fracture network, where the triangular cells of the fracture mesh are faces in the volume mesh, that addresses pathological cases which commonly arise and degrade mesh quality is also provided. Our open-source subsurface simulator uses a hierarchy of process kernels (one kernel per physical process) that allows for both strong and weak coupling of the fracture and matrix domains. We provide verification tests based on analytic solutions for flow and transport, as well as numerical convergence. We also provide multiple expositions of the method in complex fracture networks. In the first example, we demonstrate that the method is robust by considering two scenarios where the fracture network acts as a barrier to flow, as the primary pathway, or offers the same resistance as the surrounding matrix. In the second test, flow and transport through a three-dimensional stochastically generated network containing 257 fractures is presented.
Advancement of Earth System Models (ESMs) is becoming increasingly challenging due to a confluence of factors including increasing model complexity – to more fully represent the earth system, increasing spatial resolution - to achieve higher accuracy by resolving fine-scale dynamical to physical, biological, and chemical processes and their interaction, increasing ensemble size - to more accurately represent predictive uncertainty, and increased computing requirements – to enable more accurate and timely weather predictions and climate projections for societal benefit. The belief by many that computing will take care of itself is no longer valid given the disruptive changes in HPC that are driving up the cost of computing, increasing the difficulty of using emerging HPC effectively, and exposing limits in parallelism, portability and scalability of the ESM applications themselves.
This final technical report summarizes the research conducted under DOE Grant DE-SC0002623, "Properties of Electronic Materials," led by Principal Investigator Shengbai Zhang at Rensselaer Polytechnic Institute. Over the 16-year period, the project employed first-principles computational methods to investigate the structural, electronic, and dynamic properties of a wide range of electronic materials, with applications in energy technologies, optoelectronics, and data storage. Key areas included topological insulators, phase-change materials, graphene and two-dimensional systems, perovskites for photovoltaics, defect engineering in semiconductors, kagome lattices, and ultrafast carrier dynamics. The research resulted in 115 peer-reviewed publications, advancing fundamental understanding of material behaviors at the atomic scale and contributing to innovations in renewable energy, memory devices, and quantum materials. Findings have implications for improving energy efficiency, developing lead-free solar cells, and enabling high-speed data processing. The work has trained numerous graduate students and postdocs, fostering the next generation of computational materials scientists. The original goals were to develop theoretical models and computational tools to predict and optimize electronic properties of materials for energy applications. All objectives were accomplished, with no major departures from planned methodologies. Challenges in computational scaling were addressed through access to high-performance computing resources.
Riverine floods pose a considerable risk to many communities. Improving flood hazard projections has the potential to inform the design and implementation of flood risk management strategies. Current flood hazard projections are uncertain, especially due to uncertain model parameters. Calibration methods use observations to quantify model parameter uncertainty. With limited computational resources, researchers typically calibrate models using either relatively few expensive model runs at high spatial resolutions or many cheaper runs at lower spatial resolutions. This leads to an open question: is it possible to effectively combine information from the high and low resolution model runs? We propose a Bayesian emulation–calibration approach that assimilates model outputs and observations at multiple resolutions. As a case study for a riverine community in Pennsylvania, we demonstrate our approach using the LISFLOOD-FP flood hazard model. Here, the multiresolution approach results in improved parameter inference over the single resolution approach in multiple scenarios. Results vary based on the parameter values and the number of available models runs. Our method is general and can be used to calibrate other high dimensional computer models to improve projections.
This research explores novel methods for extracting relevant information from EEG data to characterize individual differences in cognitive processing. Our approach combines expertise in machine learning, statistics, and cognitive science, advancing the state-of-the art in all three domains. Specifically, by using cognitive science expertise to interpret results and inform algorithm development, we have developed a generalizable and interpretable machine learning method that can accurately predict individual differences in cognition. The output of the machine learning method revealed surprising features of the EEG data that, when interpreted by the cognitive science experts, provided novel insights to the underlying cognitive task. Additionally, the outputs of the statistical methods show promise as a principled approach to quickly find regions within the EEG data where individual differences lie, thereby supporting cognitive science analysis and informing machine learning models. This work lays methodological ground work for applying the large body of cognitive science literature on individual differences to high consequence mission applications.
A reports and publications list is given from the Institute for Computer Applications in Science and Engineering (ICASE) through December 31, 1991. The major categories of the current ICASE research program are; numerical methods, control and parameter identification problems, computational problems in engineering and the physical sciences, and computer systems and software. Since ICASE reports are intended to be preprints of articles that will appear in journals or conference proceedings, the published reference is included when available.
Artificial Intelligence (AI) capabilities are expanding and can enhance organizational performance and individual productivity. LLNL is investing in AI-enabled research areas such as high-performance computing, advanced materials/manufacturing, earth and atmospheric science.
At Lawrence Livermore National Laboratory, we focus on science and technology research to ensure our nation’s security. We also apply that expertise to solve other important national problems in energy, bioscience, and the environment. Science & Technology Review is published eight times a year to communicate, to a broad audience, the Laboratory’s scientific and technological accomplishments in fulfilling its primary missions. The publication’s goal is to help readers understand these accomplishments and appreciate their value to the individual citizen, the nation, and the world.