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At least 73 records · Page 4

"Forward" Projects Boost U.S. Leadership in Advanced Computing and Artificial Intelligence

High-performance computing (HPC) has been an indispensable research tool for accessing physical realms difficult, or impossible, achieve with experiment alone. For several decades, the Department of Energy’s (DOE’s) Office of Science has deployed sophisticated HPC systems for solving the nation’s most pressing grand challenge problems in energy, climate change, and human health. In addition, DOE’s National Nuclear Security Administration (NNSA) has adeptly applied HPC in support of key national security objectives, such as nuclear science and stockpile modernization and stewardship. Over time, HPC systems have become increasingly more complex and capable, and as each new machine has come online, scientists and engineers have taken advantage of vast increases in compute power to accelerate scientific discoveries and engineering innovation.

42 ENGINEERING↗

NASA Technology Demonstrations Missions Program Overview

The National Aeronautics and Space Administration (NASA) Fiscal Year 2010 (FY10) budget introduced a new strategic plan that placed renewed emphasis on advanced missions beyond Earth orbit. This supports NASA s 2011 strategic goal to create innovative new space technologies for our exploration, science, and economic future. As a result of this focus on undertaking many and more complex missions, NASA placed its attention on a greater investment in technology development, and this shift resulted in the establishment of the Technology Demonstrations Missions (TDM) Program. The TDM Program, within the newly formed NASA Office of the Chief Technologist, supports NASA s grand challenges by providing a steady cadence of advanced space technology demonstrations (Figure 1), allowing the infusion of flexible path capabilities for future exploration. The TDM Program's goal is to mature crosscutting capabilities to flight readiness in support of multiple future space missions, including flight test projects where demonstration is needed before the capability can transition to direct mission The TDM Program has several unique criteria that set it apart from other NASA program offices. For instance, the TDM Office matures a small number of technologies that are of benefit to multiple customers to flight technology readiness level (TRL) 6 through relevant environment testing on a 3-year development schedule. These technologies must be crosscutting, which is defined as technology with potential to benefit multiple mission directorates, other government agencies, or the aerospace industry, and they must capture significant public interest and awareness. These projects will rely heavily on industry partner collaboration, and funding is capped for all elements of the flight test demonstration including planning, hardware development, software development, launch costs, ground operations, and post-test assessments. In order to inspire collaboration across government and industry, more than 70% of the TDM funds will be competitively awarded as a result of yearly calls for proposed flight demonstrators and selected based on possible payoff to NASA, technology maturity, customer interest, cost, and technical risk reduction. This paper will give an overview of the TDM Program s mission and organization, as well as its current status in delivering advanced space technologies that will enable more flexible and robust future missions. It also will provide several examples of missions that fit within these parameters and expected outcomes.

Turner, Susan↗

Regolith-Derived Heat Shield for Planetary Body Entry and Descent System with In-Situ Fabrication

High-mass planetary surface access is one of NASA's Grand Challenges involving entry, descent, and landing (EDL). Heat shields fabricated in-situ can provide a thermal protection system for spacecraft that routinely enter a planetary atmosphere. Fabricating the heat shield from extraterrestrial regolith will avoid the costs of launching the heat shield mass from Earth. This project will investigate three methods to fabricate heat shield using extraterrestrial regolith.

Hogue, Michael D.↗

Regolith-Derived Heat Shield for Planetary Body Entry and Descent System with In-Situ Fabrication

High-mass planetary surface access is one of NASA's Grand Challenges involving entry, descent, and landing (EDL). Heat shields fabricated in-situ can provide a thermal protection system for spacecraft that routinely enter a planetary atmosphere. Fabricating the heat shield from extraterrestrial regolith will avoid the costs of launching the heat shield mass from Earth. This project investigated three methods to fabricate heat shield using extraterrestrial regolith and performed preliminary work on mission architectures.

Hogue, Michael D.↗

Statistical Learning for Nonlinear Model Reduction from Local Simulations of Stochastic and Particle- and Agent-Based Systems

Stochastic physical systems across the sciences that have very high-dimensional state spaces, with a large number of fast degrees of freedom that force direct simulators to proceed by integration steps that are orders of magnitude smaller than events of interests (e.g., particle collisions). Examples range from molecular motion to dynamics of large populations of cells. A grand challenge in the simulation and understanding of such systems is the systematic construction of accurate, interpretable, reduced models, enabling faster simulations, revealing fundamental properties of the dynamics, and predicting phenomena of interest that the original simulator could not reached with sufficient accuracy or within a given computational budget. In this projected we developed novel statistical estimation/machine learning techniques for analyzing and building empirical reduced models for important families of high-dimensional stochastic systems, in particular: - we developed techniques for estimating interaction kernels in interacting particle- and agent-based systems, which are ubiquitous in Physics, Biology and many other sciences, given observed trajectories of the system; - we developed techniques for nonlinear model reduction for high-dimensional stochastic systems that have a small number of unknown, nonlinear slow variables, and a large number of fast modes, that are possibly of large magnitude, given observed short trajectories of the system in the form of bursts of trajectories from different initial conditions; - we developed novel techniques for estimating linear dynamical systems on graphs when both the dynamics and the underlying graph are unknown, and we have a sparse set of space-time observations; - we considered the problem of estimating an unknown nonlinear observation function of a standard process (e.g. Brownian motion), so that we can recognized if an observed dynamics is "just" a nonlinear version of a known dynamics; we also developed benchmarks for learning algorithms aimed at learning and classifying diffusion processes.

97 MATHEMATICS AND COMPUTING↗

NASA High Performance Computing and Communications program

The National Aeronautics and Space Administration's HPCC program is part of a new Presidential initiative aimed at producing a 1000-fold increase in supercomputing speed and a 1(X)-fold improvement in available communications capability by 1997. As more advanced technologies are developed under the HPCC program, they will be used to solve NASA's 'Grand Challenge' problems, which include improving the design and simulation of advanced aerospace vehicles, allowing people at remote locations to communicate more effectively and share information, increasing scientists' abilities to model the Earth's climate and forecast global environmental trends, and improving the development of advanced spacecraft. NASA's HPCC program is organized into three projects which are unique to the agency's mission: the Computational Aerosciences (CAS) project, the Earth and Space Sciences (ESS) project, and the Remote Exploration and Experimentation (REE) project. An additional project, the Basic Research and Human Resources (BRHR) project, exists to promote long term research in computer science and engineering and to increase the pool of trained personnel in a variety of scientific disciplines. This document presents an overview of the objectives and organization of these projects, as well as summaries of early accomplishments and the significance, status, and plans for individual research and development programs within each project. Areas of emphasis include benchmarking, testbeds, software and simulation methods.

Holcomb, Lee↗

NASA high performance computing and communications program

The National Aeronautics and Space Administration's HPCC program is part of a new Presidential initiative aimed at producing a 1000-fold increase in supercomputing speed and a 100-fold improvement in available communications capability by 1997. As more advanced technologies are developed under the HPCC program, they will be used to solve NASA's 'Grand Challenge' problems, which include improving the design and simulation of advanced aerospace vehicles, allowing people at remote locations to communicate more effectively and share information, increasing scientist's abilities to model the Earth's climate and forecast global environmental trends, and improving the development of advanced spacecraft. NASA's HPCC program is organized into three projects which are unique to the agency's mission: the Computational Aerosciences (CAS) project, the Earth and Space Sciences (ESS) project, and the Remote Exploration and Experimentation (REE) project. An additional project, the Basic Research and Human Resources (BRHR) project exists to promote long term research in computer science and engineering and to increase the pool of trained personnel in a variety of scientific disciplines. This document presents an overview of the objectives and organization of these projects as well as summaries of individual research and development programs within each project.

Holcomb, Lee↗

Argonne Leadership Computing Facility: 2021 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every one of its goals for calendar year (CY) 2021 as an advanced scientific computing center. In CY 2021, the ALCF operated its production resource, Theta, an Intel-based Cray XC40 system (11.7-petaflops) augmented with 24 NVIDIA DGX A100-based nodes (3.9-petaflops) that supports diverse workloads, integrating data analytics with artificial intelligence (AI) training and learning in a single platform. In 2021, we began deploying Polaris, our newest 40- petaflops system, and augmented this powerful testbed system with an additional 28 nodes to support the integration of real-time experiments and HPC resources. We also deployed our two largest storage systems yet, named Grand and Eagle, that will bring new services to our users and will power data-driven research for years to come. Last year, Theta delivered a total of 20.8 million node-hours to 16 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) projects and 7.2 million node-hours to ASCR Leadership Computing Challenge (ALCC) projects (32 awarded during the 2020–2021 ALCC year and 17 awarded during the 2021–2022 ALCC year), as well as substantial support to Director’s Discretionary (DD) projects (5.5 million node-hours). As Table ES.1 shows, Theta performed exceptionally well in terms of overall availability (95.1 percent), scheduled availability (99.4 percent), and utilization (98.1 percent; Table 2.1). As of the submission date of this document, ALCF’s user community has published 249 papers in high-quality, peer-reviewed journals and technical proceedings. At the 2021 International Conference for High Performance Computing, Networking, Storage and Analysis (SC’21), Argonne researchers won two HPCwire Readers’ Choice Awards and were part of a Gordon Bell Prize finalist team recognized for developing an AI-enabled, multi-resolution simulation framework for studying complex biomolecular machines. Their framework was used to observe the SARS-CoV-2 replication-transcription machinery in action, by directly integrating experimental data. ALCF also provided a comprehensive program of high-performance computing (HPC) support services to help our community make productive use of the facility’s diverse and growing collection of resources. We are now entering the exascale era, with exascale machines being planned for national laboratories across the country, including Aurora at Argonne National Laboratory (Argonne) in 2023. ALCF researchers have been leading and guiding numerous strategic activities that will push the boundaries of what’s possible in computational science and engineering and allow us to deliver science on day one.

97 MATHEMATICS AND COMPUTING↗

Lignin-First Biorefinery Development

Cost-effective biomass fractionation is an enabling, grand challenge for biorefining, especially when both carbohydrates and lignin are targeted for valorization. The advent of Reductive Catalytic Fractionation (RCF) - an active stabilization approach that solubilizes lignin from biomass and catalytically depolymerizes it into a narrow slate of monomers and oligomers - represents a potential step forward for this important goal. In the Lignin-First Biorefinery Development project, we are employing techno-economic analysis (TEA) and life cycle assessment (LCA) to guide bench-scale R&D efforts towards cost-effective RCF-based biorefining. This project is critical to lignin valorization efforts and could enable the use of woody feedstocks in a traditional biochemical conversion context. To date, we have conducted the first rigorous TEA and LCA study of the RCF process, developed a flow-through system to separate biomass and the chemical catalyst in RCF chemistry, developed models for solvolysis chemistry and transport phenomena for poplar, and co-led an international, authoritative perspective on guidelines for the research community on how to best practice lignin-first biorefining. The primary challenges for the lignin-first RCF process going forward are catalyst stability, the need to utilize, recover, and recycle high boiling point solvents to lower RCF reactor pressure, and the challenge of operating RCF continuously - all of which are being directly tackled by this project.

biomass↗

Radioisotope Science and Technology Division FY 2025 Core R&D Summary Report: Competitive Projects, Postdoctoral Researchers, and Student Interns

R&D efforts in support of the Oak Ridge National Laboratory (ORNL) Isotope Program Radioisotope Portfolio are led by the Radioisotope Science and Technology Division (RSTD). In addition to supporting the ORNL Isotope Program Radioisotope Portfolio, RSTD supports a portfolio of research related to fundamental properties of radioisotopes and radioisotope applications, including diagnostic and therapeutic uses of medical radioisotopes, radioisotopes for national security, and the production of 238 Pu for the National Aeronautics and Space Administration (NASA) and US Department of Energy (DOE) Office of Nuclear Energy. RSTD is organized into functional science and engineering groups, with most staff members supporting multiple programs. The goal of this organization is to enable synergy between programs such that R&D advances coming from other programs may provide benefit to the ORNL Isotope Program. R&D within RSTD is focused around addressing five grand challenges, as documented in the strategic plan for the DOE Office of Isotope R&D and Production, or DOE Isotope Program (IP), Radioisotope Production R&D activities at ORNL: 1. Maximizing the scientific output of radioisotope transmutation resources, 2. Maximizing the scientific output of radioisotope processing resources, 3. Minimizing waste and having optimal waste disposition, 4. Focusing on product quality and reliability, and 5. Expanding the use of beneficial isotopes. The ORNL Core R&D program, one of the primary R&D components within the ORNL Isotope Program Radioisotope Portfolio, ranges from benchtop to demonstration activities, with a focus on researching enhanced production techniques, developing emerging isotopes, and developing the talent pipeline for radioisotope science and technology. Projects within the Core R&D Program are led primarily by RSTD staff members. In supporting enhanced production techniques, the Core R&D program presents an opportunity to fund novel R&D that might not be tied to a specific radioisotope product but still presents a high potential for broad applicability in the longer term. In supporting the development of emerging isotopes, the Core R&D program develops high-priority isotopes that are not able to be fully supported through production funds.

07 ISOTOPE AND RADIATION SOURCES↗

Robo-line storage: Low latency, high capacity storage systems over geographically distributed networks

Rapid advances in high performance computing are making possible more complete and accurate computer-based modeling of complex physical phenomena, such as weather front interactions, dynamics of chemical reactions, numerical aerodynamic analysis of airframes, and ocean-land-atmosphere interactions. Many of these 'grand challenge' applications are as demanding of the underlying storage system, in terms of their capacity and bandwidth requirements, as they are on the computational power of the processor. A global view of the Earth's ocean chlorophyll and land vegetation requires over 2 terabytes of raw satellite image data. In this paper, we describe our planned research program in high capacity, high bandwidth storage systems. The project has four overall goals. First, we will examine new methods for high capacity storage systems, made possible by low cost, small form factor magnetic and optical tape systems. Second, access to the storage system will be low latency and high bandwidth. To achieve this, we must interleave data transfer at all levels of the storage system, including devices, controllers, servers, and communications links. Latency will be reduced by extensive caching throughout the storage hierarchy. Third, we will provide effective management of a storage hierarchy, extending the techniques already developed for the Log Structured File System. Finally, we will construct a protototype high capacity file server, suitable for use on the National Research and Education Network (NREN). Such research must be a Cornerstone of any coherent program in high performance computing and communications.

Katz, Randy H.↗

Hydrocracking Plastic Mixtures into Xylene

Our research aims to tackle the challenge in recycling end-of-life plastics, the accumulation of which has become a grand challenge to our society, sustainability and economy. Guided by life-cycle assessment (LCA) and tech-economic analysis (TEA), we specifically target the catalytic conversion of low-cost #3-7 plastic mixtures ($\$$5/ton) into p-xylene (>$\$$1000/ton), one of the most valuable hydrocarbon products. This goal is achieved by carrying out integrated research including catalysis, process engineering, and reactor design. The ultimate goal of this project is to enable energy-efficient and economically viable depolymerization of end-of-life plastic mixtures into value-added commodity chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

TransFormers for Ensuring Long-Term Operations in Lunar Extreme Environments

"Surviving Extreme Space Environments" (EE) is one of NASA's Space Technology Grand Challenges. Power generation and thermal control are the key survival ingredients that allow a robotic explorer to cope with the EE using resources available to it, for example, by harvesting the local solar energy or by utilizing an onboard radioisotope thermoelectric generator (RTG). TransFormers (TFs) are a new technology concept designed to transform a localized area within a harsh extreme environment into a survivable micro-environment by projecting energy to the precise location where robots or humans operate. For example, TFs placed at a location on the rim of Shackleton Crater, which is illuminated by solar radiation for most of the year, would be able to reflect solar energy onto robots operating in the dark cold crater. TFs utilize a shape transformation mechanism to un-fold from a compact volume to a large reflective surface, and to control how much-and where-the energy is projected, and by adjusting for the changing position of the sun. TFs would enable in-situ resource utilization (ISRU) activities within locations of high interest that would normally be unreachable because of their extreme environment

ISRU↗

Optimizing biological carbon uptake by regulating carbonate-bicarbonate equilibrium

Balancing the global carbon budget is a grand challenge and a critical research mission for sustaining life on Earth. Oceans absorb ca. 30% of global anthropogenic CO 2 emissions and dissolved CO 2 in the oceans forms carbonic acid that dissociates to generate H + , bicarbonate, and carbonate. By regulating the carbonate-bicarbonate equilibrium, rates of marine photosynthesis can be substantially enhanced, thereby capturing and condensing CO 2 into a readily utilizable form. The specific goal of this project was to demonstrate enhanced marine biomass production at the bench-scale towards advancing sustainable marine CO 2 removal. Our proof-of-concept experimental results are highly promising and we have filed a PNNL invention disclosure. In consideration of which, no further details are included in this document.

54 ENVIRONMENTAL SCIENCES↗

High speed civil transport aerodynamic optimization

This is a report of work in support of the Computational Aerosciences (CAS) element of the Federal HPCC program. Specifically, CFD and aerodynamic optimization are being performed on parallel computers. The long-range goal of this work is to facilitate teraflops-rate multidisciplinary optimization of aerospace vehicles. This year's work is targeted for application to the High Speed Civil Transport (HSCT), one of four CAS grand challenges identified in the HPCC FY 1995 Blue Book. This vehicle is to be a passenger aircraft, with the promise of cutting overseas flight time by more than half. To meet fuel economy, operational costs, environmental impact, noise production, and range requirements, improved design tools are required, and these tools must eventually integrate optimization, external aerodynamics, propulsion, structures, heat transfer, controls, and perhaps other disciplines. The fundamental goal of this project is to contribute to improved design tools for U.S. industry, and thus to the nation's economic competitiveness.

Ryan, James S.↗

Unique optical excitations in topological insulators (Final Technical Report)

The overall objective of this research is to understand how light interacts with topological insulator (TI) films and layered structures. Unlike normal materials, the electrons in TI films are trapped at the top and bottom surfaces of the film. These electrons have unusual properties, including low mass and high velocity. Light shining on these trapped electrons will excite electron density waves, called plasmons, which inherit the unusual properties of the electrons. This project aims to understand how these plasmons interact with each other and how the plasmon properties change as the film dimensions change. By controlling the physical properties of the films, the optical response of the film can also be controlled. In addition to single TI films, the project will also investigate the properties of stacks of TI films layered with normal insulating films. Stacking these materials results in multiple layers of trapped electrons whose plasmons can interact in ever more complex ways. After these interactions are understood, we can begin to engineer complex TI structures to obtain designer optical phenomena in the far-infrared and THz, wavelength ranges of interest for environmental monitoring and chemical sensing. This research directly addresses DOE Grand Challenges, including understanding how properties of matter emerge from complex electronic correlations and learning how to control these properties as well as the mission of the Basic Energy Sciences program to understand and control matter at the electronic/atomic level.

36 MATERIALS SCIENCE↗

In-Space Propulsion Engine Architecture Based on Sublimation of Planetary Resources: From Exploration Robots to NEO Mitigation

This project, sponsored by the NASA Innovative Advanced Concepts examines how the systematic use of space resources such as frozen volatiles can create a new paradigm in surface power generation for deep space missions. The ubiquitous presence of ices of water, carbon dioxide and other compounds throughout the Solar System under conditions favorable for their sublimation will enable novel in-space propulsion and actuation concepts to become a reality and to address one of NASA's Grand Challenges of "All Access Mobility." Accessing such a resource in the far corners of our interplanetary neighborhood let us conceive exploration missions capable of refueling in the Jovian and Saturnian systems to achieve new goals or reach new destinations. The concept also has potential to apply in-situ propulsion to a comet or an asteroid to deflectits orbit slightly to avoid a future encounter with Earth.

Compounds↗

Energy Storage Valuation: A Review of Use Cases and Modeling Tools

An enticing prospect that drives adoption of energy storage systems (ESS) is its ability to be used in a diverse set of use cases and the potential to take advantage of multiple unique value streams. The Energy Storage Grand Challenge (ESGC) technology development pathways for storage technologies draw from a set of use cases in the electrical power system, each with their own specific cost and performance needs. In addition to the need for cost and performance improvements for storage technologies, there a need for robust valuation methods to enable effective policy, investment, business models, and resource planning. There are numerous storage valuation tools available to the public, many of which can analyze the value of an ESS project with inputs and characteristics that reflect a specific storage use case. To effectively reach ESS stakeholders that may be interested in learning about valuation models, this report will draw from publicly available tools developed by the Department of Energy (DOE) and frame their functionalities and capabilities within the context of three distinct use case families. This report examines three of the ESGC use case families in depth and provides a methodology in which interested stakeholders can determine which DOE modeling tool is best suited to value ESS for their specific case. The high-level objectives for this report include: (1) Provide specific sub use-cases for each use case family for further characterization; (2) Provide technical parameters and relevant data for three example use cases that could be used in a valuation tool; (3) Identify a list of publicly available DOE tools that can provide energy storage valuation insights for ESS use case stakeholders; (4) Provide information on the capabilities and different options in each modeling tool; (5) Make conclusions on which are best suited for valuing certain functional/performance requirements and which tools might be applicable to other use cases; and (6) Show the methodology that informs a Model Selection Platform (MSP) framework that educates stakeholders on different DOE models and provides a streamlined way to choose the right model that most closely matches their needs.

25 ENERGY STORAGE↗