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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Foundation models for atomistic simulation of chemistry and materials

Conventional computational methods for modeling chemical and materials systems are limited by system size and timescale, forcing a trade-off between quantum-mechanical accuracy and the sampling needed for realistic observables. Large language and vision foundation models — pre-trained on massive datasets using transformer architectures — have revolutionized many fields. It is thus interesting to ask whether a foundation model — subject to suitable data, parameter scaling and training — could enable learned simulations of chemistry and materials. Here, in this study, we review the field of machine-learned interatomic potentials (MLIPs) and posit that scaling up large and diverse chemical and materials datasets and highly expressive architectures using advanced training strategies should result in models that are: more efficient, transferable, robust to out-of-distribution scenarios, and easier to fine-tune to a variety of downstream physical observables than models trained from scratch on small datasets corresponding to specific, targeted atomistic simulation tasks. We provide specific criteria for creating such large-scale MLIP foundation models, coordinated strategies for their development, evaluation and deployment, and highlight potential emergent capabilities that could transform predictive simulations in chemistry and materials science and accelerate discovery across multiple technological domains.

Yuan, Eric C.-Y. [University of California, Berkel↗
DOE OSTI2023

Insights from high-fidelity modeling of industrial rotary bell atomization

The global automotive industry sprayed over 2.6 billion liters of paint in 2018, much of which through electrostatic rotary bell atomization, a highly complex process involving the fluid mechanics of rapidly rotating thin films tearing apart into micrometer-thin filaments and droplets. Coating operations account for 65% of the energy usage in a typical automotive assembly plant, representing 10,000s of gigawatt-hours each year in the United States alone. Optimization of these processes would allow for improved robustness, reduced material waste, increased throughput, and significantly reduced energy usage. Here, we introduce a high-fidelity mathematical and algorithmic framework to analyze rotary bell atomization dynamics at industrially relevant conditions. Our approach couples laboratory experiment with the development of robust non-Newtonian fluid models; devises high-order accurate numerical methods to compute the coupled bell, paint, and gas dynamics; and efficiently exploits high-performance supercomputing architectures. These advances have yielded insight into key dynamics, including i) parametric trends in film, sheeting, and filament characteristics as a function of fluid rheology, delivery rates, and bell speed; ii) the impact of nonuniform film thicknesses on atomization performance; and iii) an understanding of spray composition via primary and secondary atomization. These findings result in coating design principles that are poised to improve energy- and cost-efficiency in a wide array of industrial and manufacturing settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A Nonlinear Direct Power Controller for a Three-Phase Grid-Connected Inverter with Online Parameter Update for PV Application

This work proposes a nonlinear direct power controller for a three-phase grid-connected inverter for photovoltaic application. Grid-connected converters for solar applications require advanced control architectures to ensure optimal operation and extraction of maximum power from the photovoltaic arrays. Therefore, to ensure this, a nonlinear power controller architecture has been proposed to extract the maximum power from the solar arrays and to achieve the most optimal operation. To further improve the performance, a parameter update scheme has been utilized which is based on model reference adaptive system. The latter helps to accomplish not only good dynamic response but also excellent tracking performance. The overall control come estimation architecture is verified based on computer simulations via MATLAB/Simulink and PLECS domain and various important case study results are presented.

direct power control↗
DOE OSTI2019

Two-Level Switches for Advanced Time-Division Multiplexing

Superconducting quantum interference device (SQUID)-based time-division multiplexing (TDM) is a mature and widely implemented technology used to read out transition-edge sensor arrays. As the number of pixels in modern arrays continues to increase, a higher multiplexing factor is required to reduce the number of wires and amplifier channels. Yet, as the multiplexing factor is increased, the number of row-select wires (used to turn on a row of TDM SQUIDs in a two-dimensional configuration) also increases, limiting the reduction in array wires. We introduce a more advanced TDM architecture that enforces multi-level switching between subgroups of pixels. We show that this technique can dramatically reduce the number of required row-select lines. We also present the design, fabrication, and testing of a TDM multiplexer incorporating a two-level switch, which implements a second switch for each group of ten TDM pixels. In this application, a multiplexing factor of 100 can be addressed using ten group-select wiring pairs and ten row-select wiring pairs. We demonstrate multiplexer functionality and present measured operating margins of this new TDM multiplexer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Exascale computing and big data

Scientific discovery and engineering innovation requires unifying traditionally separated high-performance computing and big data analytics. The tools and cultures of high-performance computing and big data analytics have diverged, to the detriment of both; unification is essential to address a spectrum of major research domains. The challenges of scale tax our ability to transmit data, compute complicated functions on that data, or store a substantial part of it; new approaches are required to meet these challenges. Finally, the international nature of science demands further development of advanced computer architectures and global standards for processing data, even as international competition complicates the openness of the scientific process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Towards exascale for wind energy simulations

We examine large-eddy-simulation modeling approaches and computational performance of two open-source computational fluid dynamics codes for the simulation of atmospheric boundary layer flows that are of direct relevance to wind energy production. The first code, NekRS, is a high-order, unstructured-grid, spectral element code. The second code, AMR-Wind, is a second-order, block-structured, finite-volume code with adaptive mesh refinement capabilities. The objective of this study is to co-develop these codes in order to improve model fidelity and performance for each. These features will be critical for running ABL-based applications such as wind farm analysis on advanced computing architectures. To this end, we investigate the performance of NekRS and AMR-Wind on the Oak Ridge Leadership Facility supercomputers Summit, using 4 to 800 nodes (24 to 4,800 NVIDIA V100 GPUs), and Crusher, the testbed for the Frontier exascale system, using 18 to 384 Graphics Compute Dies on AMD MI250X GPUs. We compare strong- and weak-scaling capabilities, linear solver performance, and time to solution. We also identify leading inhibitors to parallel scaling.

17 WIND ENERGY↗
DOE OSTI2026

Autonomie Simulation Datasets in Support of U.S. DOT-NHTSA Advanced Vehicle Technology Research

Understanding how new vehicle technologies affect fuel economy and energy use is critical to the regulatory work performed by the U.S. Department of Transportation’s National Highway Traffic Safety Administration (NHTSA), which sets Corporate Average Fuel Economy (CAFE) standards under the Energy Policy and Conservation Act of 1975. In order to support this work, Argonne National Laboratory uses Autonomie, a full-vehicle simulation tool, to evaluate advanced powertrain architectures and their effects on vehicle energy consumption and performance. A wide range of vehicle classes has been assessed (i.e., internal combustion engine vehicles, hybrid electric vehicles, plug-in hybrid electric vehicles, battery-electric vehicles, and fuel cell electric vehicles), as well as the effects of various technology improvements such as lightweighting, aerodynamic refinements, and low-rolling-resistance tires. Simulations have been run across multiple drive cycles to capture fuel and electricity use under realistic operating conditions. The resulting datasets include detailed vehicle-level results, model assumptions, and validation reports, all of which have been made publicly available through NHTSA in support of the 2023 notice of proposed rulemaking covering light-duty vehicles for model years 2027 to 2035. These data are critical to stakeholders working in fuel economy regulation, vehicle technology assessment, and energy policy analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2011

Reflector Technology Development and System Design for Concentrating Solar Power Technologies

Alcoa began this program in March of 2008 with the goal of developing and validating an advanced CSP trough design to lower the levelized cost of energy (LCOE) as compared to existing glass based, space-frame trough technology. In addition to showing a pathway to a significant LCOE reduction, Alcoa also desired to create US jobs to support the emerging CSP industry. Alcoa's objective during Phase I: Concept Feasibility was to provide the DOE with a design approach that demonstrates significant overall system cost savings without sacrificing performance. Phase I consisted of two major tasks; reflector surface development and system concept development. Two specific reflective surface technologies were investigated, silver metallized lamination, and thin film deposition both applied on an aluminum substrate. Alcoa prepared samples; performed test validation internally; and provided samples to the NREL for full-spectrum reflectivity measurements. The final objective was to report reflectivity at t = 0 and the latest durability results as of the completion of Phase 1. The target criteria for reflectance and durability were as follows: (1) initial (t = 0), hemispherical reflectance >93%, (2) initial spectral reflectance >90% for 25-mrad reading and >87% for 7-mrad reading, and (3) predicted 20 year durability of less than 5% optical performance drop. While the results of the reflective development activities were promising, Alcoa was unable to down-select on a reflective technology that met the target criteria. Given the progress and potential of both silver film and thin film technologies, Alcoa continued reflector surface development activities in Phase II. The Phase I concept development activities began with acquiring baseline CSP system information from both CSP Services and the DOE. This information was used as the basis to develop conceptual designs through ideation sessions. The concepts were evaluated based on estimated cost and high-level structural performance. The target criteria for the concept development was to achieve a solar field cost savings of 25%-50% thereby meeting or exceeding the DOE solar field cost savings target of $\$$350/m 2 . After evaluating various structural design approaches, Alcoa down-selected to a monocoque, dubbed Wing Box, design that utilizes the reflective surface as a structural, load carrying member. The cost and performance potential of the Wing Box concept was developed via initial finite element analysis (FEA) and cost modeling. The structural members were sized through material utilization modeling when subjected to representative loading conditions including wind loading. Cost modeling was utilized to refine potential manufacturing techniques that could be employed to manufacture the structural members. Alcoa concluded that an aluminum intensive collector design can achieve significant cost savings without sacrificing performance. Based on the cost saving potential of this Concept Feasibility study, Alcoa recommended further validation of this CSP approach through the execution of Phase II: Design and Prototype Development. Alcoa Phase II objective was to provide the DOE with a validated CSP trough design that demonstrates significant overall system cost savings without sacrificing performance. Phase II consisted of three major tasks; Detail System Design, Prototype Build, and System Validation. Additionally, the reflector surface development that began in Phase I was continued in Phase II. After further development work, Alcoa was unable to develop a reflective technology that demonstrated significant performance or cost benefits compared to commercially available CSP reflective products. After considering other commercially available reflective surfaces, Alcoa selected Alano's MIRO-SUN product for use on the full scale prototype. Although MIRO-SUN has a lower specular reflectivity compared to other options, its durability in terms of handling, cleaning, and long-term reflectivity was deemed the most important attribute to successfully validate Alcoa's advanced trough architecture. To validate the performance of the Wing Box trough, a 6 meter aperture by 14 meter long prototype trough was built. For ease of shipping to and assembly at NREL's test facility, the prototype was fabricated in two half modules and joined along the centerline to create the Wing Box trough. The trough components were designed to achieve high precision of the reflective surface while leveraging high volume manufacturing and assembly techniques.

14 SOLAR ENERGY↗
DOE OSTI2013

Cascaded Microinverter PV System for Reduced Cost

In this project, a team led by Delphi will develop and demonstrate a novel cascaded photovoltaic (PV) inverter architecture using advanced components. This approach will reduce the cost and improve the performance of medium and large-sized PV systems. The overall project objective is to develop, build, and test a modular 11-level cascaded three-phase inverter building block for photovoltaic applications and to develop and analyze the associated commercialization plan. The system will be designed to utilize photovoltaic panels and will supply power to the electric grid at 208 VAC, 60 Hz 3-phase. With the proposed topology, three inverters, each with an embedded controller, will monitor and control each of the cascade sections, reducing costs associated with extra control boards. This report details the final disposition on this project.

14 SOLAR ENERGY↗
DOE OSTI2016

The Aeras Next Generation Global Atmosphere Model

The Next Generation Global Atmosphere Model LDRD project developed a suite of atmosphere models: a shallow water model, an x-z hydrostatic model, and a 3D hydrostatic model, by using Albany, a finite element code. Albany provides access to a large suite of leading-edge Sandia high-performance computing technologies enabled by Trilinos, Dakota, and Sierra. The next-generation capabilities most relevant to a global atmosphere model are performance portability and embedded uncertainty quantification (UQ). Performance portability is the capability for a single code base to run efficiently on diverse set of advanced computing architectures, such as multi-core threading or GPUs. Embedded UQ refers to simulation algorithms that have been modified to aid in the quantifying of uncertainties. In our case, this means running multiple samples for an ensemble concurrently, and reaping certain performance benefits. We demonstrate the effectiveness of these approaches here as a prelude to introducing them into ACME.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Nek5000 developments in support of industry and the NRC

This year, the Nuclear Energy Advanced Modeling Simulation program (NEAMS) thermal-hydraulics verification and validation (V&V) work has focused in three areas of Nek5000 V&V-driven development. First, in a close collaborative effort with the U. S. Nuclear Regulatory Commission (NRC) staff, we have continued V&V efforts for the HYMERES-2 project using the OECD/NEA sponsored testing in the PSI PANDA facility. This year’s focus of ANL-NRC collaboration involves Nek5000 setups and validation for a range of problems relevant to and including the HYMERES-2 benchmark from PSI. The primary outcome of this year efforts is a more efficient geometry and inlet modeling simplification after a careful sensitivity study of the inlet profiles and pipe geometries. The resulting modeling choice of a short recycling/fully-developed turbulent inlet is within the experimental uncertainty estimate. This finding simplifies the next step of the cross-V&V HYMERES-2 project. In addition, the ANL team continue to provide assistance to the NRC staff in the form of Nek5000 application support in general and on the use of the HPC platforms of ALCF and INL in particular. This supports the NRC’s assessment of Nek5000 for use with the NRC Blue CRAB code suite. Second, we have implemented and tested more robust model of URANS, namely the k – τ model, a variant of the k-ω model, along with other improvements to RANS Nek5000 modeling in general. Because of its demonstrated robustness and stability, the k – τ model is the only RANS model that has been implemented in the new GPU version of the Nek5000 code, nekRS. Lastly, we report the initial implementation of Jacobian-free Newton Krylov approach to the direct Newton method for steady fluid solvers aimed at acceleration of RANS modeling and at IC improvement for LES campaigns. Also leveraging the Exascale Computing Project (ECP) ANL/CEED & SMR team’s software development effort to support NEAMS problems at large scale of the advanced computing architectures, NekRS, a GPU variant of Nek5000, built on top of kernels from libParanumal using OCCA for portability, has been successfully run on the full system of Summit (4608 nodes, 27648 GPUs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Advanced Integrated Reticular Sorbent-Coated System to Capture CO 2 from the Atmosphere (AIR2CO2)

GE Research Center (GRC) and the University of California, Berkeley (UCB) executed an 15-month, $1.0 MM program to develop a lab-scale material system to extract CO 2 from ambient air using UCB’s pioneering sorbent technology and GRC’s composite coating expertise. The primary objective of this project was to develop an “Advanced Integrated Reticular Sorbent-Coated System to Capture CO 2 from the Atmosphere (AIR2CO2)” at a Technology Readiness Level (TRL) of 3. The AIR2CO2 concept relies on two key innovations: 1) advanced sorbent architectures with high capacity and rapid sorption kinetics that enable effective CO 2 capture at low concentrations, and 2) tailored MOF-binder slurry formulations and coating processes that enable sorbent integration into a novel additively-manufactured contactor.

36 MATERIALS SCIENCE↗
NASA NTRS1983

NASA Demonstration Advanced Avionics System (DAAS)

The Demonstration Advanced Avionics Systems (DAAS) integrates a comprehensive set of general aviation avionics functions into an advanced system architecture for demonstration in a Cessna 402 aircraft. A cursory functional description of the DAAS complex is given. Microprocessors, computer architecture, and display devices are discussed.

Peterson, E. M.↗
NASA NTRS1983

The NASA Software Management and Assurance Program

A committee of experienced managers representing each major NASA organization guides a major development effort which seeks to ensure the acquisition of economical and reliable software for more complex future programs. The primary, near-term development objectives of the NASA Software Management and Assurance Program are: (1) to provide the best management and technical guidance available; (2) to facilitate the use of proven tools, techniques, and information; and (3) to maintain a pool of highly qualified software personnel. The software development tasks addressed involve such problems as satellite end-to-end architecture and advanced aircraft guidance and control systems.

Hall, D. L.↗
NASA NTRS1984

A high-accuracy optical linear algebra processor for finite element applications

Optical linear processors are computationally efficient computers for solving matrix-matrix and matrix-vector oriented problems. Optical system errors limit their dynamic range to 30-40 dB, which limits their accuray to 9-12 bits. Large problems, such as the finite element problem in structural mechanics (with tens or hundreds of thousands of variables) which can exploit the speed of optical processors, require the 32 bit accuracy obtainable from digital machines. To obtain this required 32 bit accuracy with an optical processor, the data can be digitally encoded, thereby reducing the dynamic range requirements of the optical system (i.e., decreasing the effect of optical errors on the data) while providing increased accuracy. This report describes a new digitally encoded optical linear algebra processor architecture for solving finite element and banded matrix-vector problems. A linear static plate bending case study is described which quantities the processor requirements. Multiplication by digital convolution is explained, and the digitally encoded optical processor architecture is advanced.

Casasent, D.↗
NASA NTRS1986

First 3 years of operation of RIACS (Research Institute for Advanced Computer Science) (1983-1985)

The focus of the Research Institute for Advanced Computer Science (RIACS) is to explore matches between advanced computing architectures and the processes of scientific research. An architecture evaluation of the MIT static dataflow machine, specification of a graphical language for expressing distributed computations, and specification of an expert system for aiding in grid generation for two-dimensional flow problems was initiated. Research projects for 1984 and 1985 are summarized.

Denning, P. J.↗
NASA NTRS1986

Automation and robotics for Space Station in the twenty-first century

Space Station telerobotics will evolve beyond the initial capability into a smarter and more capable system as we enter the twenty-first century. Current technology programs including several proposed ground and flight experiments to enable development of this system are described. Advancements in the areas of machine vision, smart sensors, advanced control architecture, manipulator joint design, end effector design, and artificial intelligence will provide increasingly more autonomous telerobotic systems.

Willshire, K. F.↗