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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Feedback-based quantum algorithm inspired by counterdiabatic driving

In recent quantum algorithmic developments, a feedback-based approach has shown promise for preparing quantum many-body system ground states and solving combinatorial optimization problems. This method utilizes quantum Lyapunov control to iteratively construct quantum circuits. Here, we propose a substantial enhancement by implementing a protocol that uses ideas from quantum Lyapunov control and the counterdiabatic driving protocol, a key concept from quantum adiabaticity. Our approach introduces an additional control field inspired by counterdiabatic driving. We apply our algorithm to prepare ground states in one-dimensional quantum Ising spin chains. Comprehensive simulations demonstrate a remarkable acceleration in population transfer to low-energy states within a significantly reduced time frame compared to conventional feedback-based quantum algorithms. This acceleration translates to a reduced quantum circuit depth, a critical metric for potential quantum computer implementation. We validate our algorithm on the IBM cloud computer, highlighting its efficacy in expediting quantum computations for many-body systems and combinatorial optimization problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Not just for programmers: How GitHub can accelerate collaborative and reproducible research in ecology and evolution

Abstract Researchers in ecology and evolutionary biology are increasingly dependent on computational code to conduct research. Hence, the use of efficient methods to share, reproduce, and collaborate on code as well as document research is fundamental. GitHub is an online, cloud‐based service that can help researchers track, organize, discuss, share, and collaborate on software and other materials related to research production, including data, code for analyses, and protocols. Despite these benefits, the use of GitHub in ecology and evolution is not widespread. To help researchers in ecology and evolution adopt useful features from GitHub to improve their research workflows, we review 12 practical ways to use the platform. We outline features ranging from low to high technical difficulty, including storing code, managing projects, coding collaboratively, conducting peer review, writing a manuscript, and using automated and continuous integration to streamline analyses. Given that members of a research team may have different technical skills and responsibilities, we describe how the optimal use of GitHub features may vary among members of a research collaboration. As more ecologists and evolutionary biologists establish their workflows using GitHub, the field can continue to push the boundaries of collaborative, transparent, and open research.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Surface structure studies in 2D and 3D Nb resonators using GI-XRD

Superconductor radio frequency (SRF) Nb-resonators are a key element in the development of new generations of particle accelerators as well as in the fabrication of 3D circuit QED architecture for quantum computing. Nevertheless, Niobium is extremally reactive to light elements such as C, N, O and H, and therefore to the impurities ordering under special conditions, e.g., cryogenic temperatures. Since these resonators are put through a series of metallurgical and chemical processes, the number of impurities in the solid increases in tens of ppm. Upon operational conditions ~1.6 K, Nb become vulnerable to H atoms ordering, which leads to the nucleation of secondary phases such as Nb-hydrides. Thereupon to the energy dissipation and eventually to the superconductivity breakdown known as Q-disease and potentially High-Field Q-slope. In this contribution, we present a detailed structural analysis by high-energy grazing-incidence X-ray diffraction of specimens extracted from 3D Nb resonators to shed light on the kinetic formation of the resulting secondary phases and their crystal phase identification upon cooling and heating cycles. To our knowledge, this is the first study carried out in resonators samples using a light source, shallow angles and temperatures near ~4 K. Consequently, this work opens new routes to understand the chemical and phase composition, crystal and electronic structure of the Nb surface at temperatures near the operating conditions as a strategy to improve the physical and functional properties of Nb superconducting resonators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1988

Analytical investigation of the dynamics of tethered constellations in earth orbit

This Quarterly Report on Tethering in Earth Orbit deals with three topics: (1) Investigation of the propagation of longitudinal and transverse waves along the upper tether. Specifically, the upper tether is modeled as three massive platforms connected by two perfectly elastic continua (tether segments). The tether attachment point to the station is assumed to vibrate both longitudinally and transversely at a given frequency. Longitudinal and transverse waves propagate along the tethers affecting the acceleration levels at the elevator and at the upper platform. The displacement and acceleration frequency-response functions at the elevator and at the upper platform are computed for both longitudinal and transverse waves. An analysis to optimize the damping time of the longitudinal dampers is also carried out in order to select optimal parameters. The analytical evaluation of the performance of tuned vs. detuned longitudinal dampers is also part of this analysis. (2) The use of the Shuttle primary Reaction Control System (RCS) thrusters for blowing away a recoiling broken tether is discussed. A microcomputer system was set up to support this operation. (3) Most of the effort in the tether plasma physics study was devoted to software development. A particle simulation code has been integrated into the Macintosh II computer system and will be utilized for studying the physics of hollow cathodes.

Lorenzini, Enrico C.↗
NASA NTRS1987

Performance characteristics of moving belt radiators

A design features and performance capabilities evaluation is made for a novel, 'hybrid belt radiator' spacecraft heat rejection system, which retains the excellent heat transfer capacity of liquid belt radiators but does not require the direct exposure of a free liquid surface to the space environment. Attention is given to the preliminary results of a computer model analyzing the dynamic behavior of the flexible belt structure due to spacecraft accelerations, as well as to the results of system studies determining size constraints on the radiator. Over the 300-700 K range of operating temperatures, Space Shuttle-stowable radiators with 10-200 MW thermal capacities can be designed.

Mcfadden, D.↗
NASA NTRS1988

Measurements of coseismic deformation in southern California - 1972-1982

This paper compares records collected in the years 1972-1982 from two classes of instruments at Pinon Flat Observatory (PFO), southern California: the long-base-length (greater than 100 m) strain meters and tiltmeters described by Berger and Lovberg(1970) and Wyatt et al. (1982), respectively; and the short-base-length near-surface tiltmeters. It was found that the signals for static strain changes recorded by the long-base-length strain meters and tiltmeters are in good quantitative agreement with the deformation calculated for a dislocation in an elastic half-space. In contrast, colocated short-base-length tiltmeters produced spurious results, with signals much larger than the theoretical coseismic deformations computed using the U.S. Geological Survey/CalTech network; these signals correlated well with peak site acceleration.

Wyatt, Frank K.↗
NASA NTRS1992

Dynamic simulation of compressor and gas turbine performance

Dynamic simulation of compressor and gas turbine performance is useful in a variety of design, analysis, and test applications. Mathematical models employing estimated or experimentally-derived component characteristics have been widely used, especially for near-design-point studies of acceleration and deceleration transients and control strategies. With recent progress in simulation methods and computational power, it has become possible to build models with detail at the stage level, and with fundamental fluid mechanics input. Such models are more useful because of the ability to study the details of inter-component flow property behavior during machine transients, even including stall and surge. Dynamic performance simulation models are discussed with emphasis on the fundamental principles of the models and the methods used to represent component and stage flow characteristics. Results of several simulations of the dynamic behavior of multistage compressors are shown with comparisons to experimental data. Possibilities for advanced computational techniques for near-real-time simulations of compressors and gas turbines are reviewed.

Walter F O'Brien↗
NASA NTRS1992

Fluid/chemistry modeling for hypersonic flight analysis

Design studies are underway for a variety of hypersonic flight vehicles. The National Aero-Space Plane will provide a reusable, single-stage-to-orbit capability for routine access to low earth orbit. Flight-capable satellites will dip into the atmosphere to maneuver to new orbits, while planetary probes will decelerate at their destination by atmospheric aerobraking. To supplement limited experimental capabilities in the hypersonic regime, computational fluid dynamics is being used to analyze the flow about these configurations. The governing equations include fluid dynamic as well as chemical species equations, which are being solved with new, robust numerical algorithms. Examples of CFD applications to hypersonic vehicles suggest an important role this technology will play in the development of future aerospace systems. The computational resources needed to obtain solutions are large, but solution-adaptive grids, convergence acceleration, and parallel processing may make run times manageable.

Edwards, Thomas A.↗
NASA NTRS2015

Materials Genome Initiative

The Materials Genome Initiative (MGI) project element is a cross-Center effort that is focused on the integration of computational tools to simulate manufacturing processes and materials behavior. These computational simulations will be utilized to gain understanding of processes and materials behavior to accelerate process development and certification to more efficiently integrate new materials in existing NASA projects and to lead to the design of new materials for improved performance. This NASA effort looks to collaborate with efforts at other government agencies and universities working under the national MGI. MGI plans to develop integrated computational/experimental/ processing methodologies for accelerating discovery and insertion of materials to satisfy NASA's unique mission demands. The challenges include validated design tools that incorporate materials properties, processes, and design requirements; and materials process control to rapidly mature emerging manufacturing methods and develop certified manufacturing processes

Vickers, John↗
NASA NTRS2016

A Spatiotemporal Indexing Approach for Efficient Processing of Big Array-Based Climate Data with MapReduce

Climate observations and model simulations are producing vast amounts of array-based spatiotemporal data. Efficient processing of these data is essential for assessing global challenges such as climate change, natural disasters, and diseases. This is challenging not only because of the large data volume, but also because of the intrinsic high-dimensional nature of geoscience data. To tackle this challenge, we propose a spatiotemporal indexing approach to efficiently manage and process big climate data with MapReduce in a highly scalable environment. Using this approach, big climate data are directly stored in a Hadoop Distributed File System in its original, native file format. A spatiotemporal index is built to bridge the logical array-based data model and the physical data layout, which enables fast data retrieval when performing spatiotemporal queries. Based on the index, a data-partitioning algorithm is applied to enable MapReduce to achieve high data locality, as well as balancing the workload. The proposed indexing approach is evaluated using the National Aeronautics and Space Administration (NASA) Modern-Era Retrospective Analysis for Research and Applications (MERRA) climate reanalysis dataset. The experimental results show that the index can significantly accelerate querying and processing (10 speedup compared to the baseline test using the same computing cluster), while keeping the index-to-data ratio small (0.0328). The applicability of the indexing approach is demonstrated by a climate anomaly detection deployed on a NASA Hadoop cluster. This approach is also able to support efficient processing of general array-based spatiotemporal data in various geoscience domains without special configuration on a Hadoop cluster.

big data↗
NASA NTRS2018

Computational Investigation of the Near-Field Plasma Plume in Ion-Ion Propulsion

A two-fluid computational model of plasma flows was developed to investigate the plume of an ion-ion propulsion system. The densities of positive and negative ions, along with the associated values of net charge, electric field, and electric potential were calculated throughout the domain. The computational domain was chosen to be large enough (25 thruster diameters downstream of the accelerating grids) to examine the neutralization of the plume. The resulting plasma electric potential and charge neutrality at the downstream end of the domain are shown. The results from this simulation are compared to existing literature on ion-ion plasma thrusters.

Sankaran, K.↗
DOE OSTI2020

OpenACC Profiling Support for Clang and LLVM using Clacc and TAU

Since its launch in 2010, OpenACC has evolved into one of the most widely used portable programming models for accelerators on HPC systems today. Clacc is a project funded by the US Exascale Computing Project (ECP) to bring OpenACC support for C and C++ to the popular Clang and LLVM compiler infrastructure. In this paper, we describe Clacc's support for the OpenACC Profiling Interface, a critical component of the OpenACC specification that standardizes an interface that profiling tools and libraries can depend upon across OpenACC implementations. As part of Clacc's general strategy to build OpenACC support upon OpenMP, we describe how Clacc builds OpenACC Profiling Interface support upon an extended version of OMPT. We then describe how a major profiling and tracing toolkit within ECP, the TAU Performance System, takes advantage of this support. We also describe TAU's selective instrumentation support for OpenACC. Finally, using Clacc and TAU, we present example visualizations for several SPEC ACCEL OpenACC benchmarks running on an IBM AC922 node, and we show that the associated performance overhead is negligible.

Coti, Camille↗
DOE OSTI2024

Harnessing ML Privacy by Design Through Crossbar Array Non-idealities

Deep Neural Networks (DNNs), handling computeand data-intensive tasks, often utilize accelerators like Resistiveswitching Random-access Memory (RRAM) crossbar for energyefficient in-memory computation. Despite RRAM’s inherent nonidealities causing deviations in DNN output, this study transforms the weakness into strength. By leveraging RRAM non-idealities, the research enhances privacy protection against Membership Inference Attacks (MIAs), which reveal private information from training data. RRAM non-idealities disrupt MIA features, increasing model robustness and revealing a privacy-accuracy tradeoff. Empirical results with four MIAs and DNNs trained on different datasets demonstrate significant privacy leakage reduction with a minor accuracy drop (e.g., up to 2.8% for ResNet-18 with CIFAR-100).

artificial intelligence↗
DOE OSTI2022

FINETUNA: fine-tuning accelerated molecular simulations

Abstract Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomistic systems. However, simulation techniques based on first principles, such as density functional theory (DFT), are limited in their practical use due to their high computational expense. Machine learning approaches have the potential to approximate DFT in a computationally efficient manner, which could dramatically increase the impact of computational simulations on real-world problems. However, they are limited by their accuracy and the cost of generating labeled data. Here, we present an online active learning framework for accelerating the simulation of atomic systems efficiently and accurately by incorporating prior physical information learned by large-scale pre-trained graph neural network models from the Open Catalyst Project. Accelerating these simulations enables useful data to be generated more cheaply, allowing better models to be trained and more atomistic systems to be screened. We also present a method of comparing local optimization techniques on the basis of both their speed and accuracy. Experiments on 30 benchmark adsorbate-catalyst systems show that our method of transfer learning to incorporate prior information from pre-trained models accelerates simulations by reducing the number of DFT calculations by 91%, while meeting an accuracy threshold of 0.02 eV 93% of the time. Finally, we demonstrate a technique for leveraging the interactive functionality built in to Vienna ab initio Simulation Package (VASP) to efficiently compute single point calculations within our online active learning framework without the significant startup costs. This allows VASP to work in tandem with our framework while requiring 75% fewer self-consistent cycles than conventional single point calculations. The online active learning implementation, and examples using the VASP interactive code, are available in the open source FINETUNA package on Github.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Accelerator Physics at NSLS-II: Research Accomplishments in 2019

NSLS-II Accelerator Physics group provides scientific support for user operations, as well as for improvements and developments of the accelerator systems. In parallel to the facility support, the accelerator physicists are working on studies of topical scientific problems: development of novel lattices; studies of collective effects and beaminduced heating; advanced computations including machine learning; ultrafast electron diffraction and microscopy (LDRD). The group also made important contributions to the electron-ion collider project at BNL and to the APS upgrade project (MOUs). Research accomplishments of the NSLS-II Accelerator Physics group achieved in 2019, are summarized in this report.

36 MATERIALS SCIENCE↗
DOE OSTI2022

CompF2: Theoretical Calculations and Simulation Topical Group Report

This report summarizes the work of the Computational Frontier topical group on theoretical calculations and simulation for Snowmass 2021. We discuss the challenges, potential solutions, and needs facing six diverse but related topical areas that span the subject of theoretical calculations and simulation in high energy physics (HEP): cosmic calculations, particle accelerator modeling, detector simulation, event generators, perturbative calculations, and lattice QCD (quantum chromodynamics). The challenges arise from the next generations of HEP experiments, which will include more complex instruments, provide larger data volumes, and perform more precise measurements. Calculations and simulations will need to keep up with these increased requirements. The other aspect of the challenge is the evolution of computing landscape away from general-purpose computing on CPUs and toward special-purpose accelerators and coprocessors such as GPUs and FPGAs. These newer devices can provide substantial improvements for certain categories of algorithms, at the expense of more specialized programming and memory and data access patterns.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗