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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Towards Quantum Computing Phase Diagrams of Gauge Theories with Thermal Pure Quantum States

The phase diagram of strong interactions in nature at finite temperature and chemical potential remains largely theoretically unexplored due to inadequacy of Monte-Carlo–based computational techniques in overcoming a sign problem. Quantum computing offers a sign-problem-free approach, but evaluating thermal expectation values is generally resource intensive on quantum computers. To facilitate thermodynamic studies of gauge theories, we propose a generalization of the thermal-pure-quantum-state formulation of statistical mechanics applied to constrained gauge-theory dynamics, and numerically demonstrate that the phase diagram of a simple low-dimensional gauge theory is robustly determined using this approach, including mapping a chiral phase transition in the model at finite temperature and chemical potential. Quantum algorithms, resource requirements, and algorithmic and hardware error analysis are further discussed to motivate future implementations. Thermal pure quantum states, therefore, may present a suitable candidate for efficient thermal simulations of gauge theories in the era of quantum computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2001

A Summary of the NASA Fusion Propulsion Workshop 2000

A NASA Fusion Propulsion Workshop was held on Nov. 8 and 9, 2000 at Marshall Space Flight Center (MSFC) in Huntsville, Alabama. A total of 43 papers were presented at the Workshop orally or by posters, covering a broad spectrum of issues related to applying fusion to propulsion. The status of fusion research was reported at the Workshop showing the outstanding scientific research that has been accomplished worldwide in the fusion energy research program. The international fusion research community has demonstrated the scientific principles of fusion creating plasmas with conditions for fusion burn with a gain of order unity: 0.25 in Princeton TFTR, 0.65 in the Joint European Torus, and a Q-equivalent of 1.25 in Japan's JT-60. This research has developed an impressive range of physics and technological capabilities that may be applied effectively to the research of possibly new propulsion-oriented fusion schemes. The pertinent physics capabilities include the plasma computational tools, the experimental plasma facilities, the diagnostics techniques, and the theoretical understanding. The enabling technologies include the various plasma heating, acceleration, and the pulsed power technologies.

Thio, Y. C. Francis↗
NASA NTRSDate not supplied

Progress on Quantitative Infrared Thermography at the NASA Langley Aerothermodynamic Laboratory

A quantitative infrared thermography technique is being developed for accurate and high-resolution measurements of surface temperature and heat flux in the hypersonic wind tunnels at NASA Langley Research Center. A hemisphere test campaign was carried out in the Langley Aerothermodynamic Laboratory 20-Inch Mach 6 Air Tunnel to assess the current performance of the technique and to identify remaining challenges. Measurements were obtained for three different model materials over a range of freestream Reynolds numbers. The raw infrared images were converted to temperature via a radiometric calibration of the camera sensor. Corrections were made for losses due to test article emissivity and window transmissivity. A preliminary uncertainty analysis yielded an estimated accuracy within 4 K at moderate viewing angles, similar to that of a standard thermocouple. Surface heat flux was obtained from the measured surface temperatures via a finite-difference solution of the one-dimensional heat equation that modeled thermal variation of the material properties. Comparisons of the measured heating to both computational and theoretical predictions demonstrated agreement within the expected uncertainty of the technique. The heat transfer measurement near the stagnation point was found to be highly sensitive to the test article emissivity, which establishes the need for improved characterization of the wind tunnel model materials for high temperature applications.

infrared thermography↗
NASA NTRS1981

Addendum to 'A new hybrid algorithm for computing a fast discrete Fourier transform'

The reported investigation represents a continuation of a study conducted by Reed and Truong (1979), who proposed a hybrid algorithm for computing the discrete Fourier transform (DFT). The proposed technique employs a Winograd-type algorithm in conjunction with the Mersenne prime-number theoretic transform to perform a DFT. The implementation of the technique involves a considerable number of additions. The new investigation shows an approach which can reduce the number of additions significantly. It is proposed to use Winograd's algorithm for computing the Mersenne prime-number theoretic transform in the transform portion of the hybrid algorithm.

Reed, I. S.↗
DOE OSTI2025

ARCANE Reweighting: A Monte Carlo Technique to Tackle the Negative Weights Problem in Collider Event Generation

Negatively weighted events, which appear in the Monte Carlo (MC) simulation of particle collisions, significantly increases the computational resource requirements of current and future collider experiments. This paper introduces and theoretically discusses an MC technique called ARCANE reweighting for reducing or eliminating negatively weighted events. The technique works by redistributing (via an additive reweighting) the contributions of different pathways within an event generator that lead to the same final event. The technique is exact and does not introduce any biases in the distributions of physical observables. A companion paper demonstrates the technique for a physics example.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1986

Shock waves and shock tubes; Proceedings of the Fifteenth International Symposium, Berkeley, CA, July 28-August 2, 1985

A detailed survey is presented of shock tube experiments, theoretical developments, and applications being carried out worldwide. The discussions explore shock tube physics and the related chemical, physical and biological science and technology. Extensive attention is devoted to shock wave phenomena in dusty gases and other multiphase and heterogeneous systems, including chemically reactive mixtures. Consideration is given to techniques for measuring, visualizing and theoretically modeling flowfield, shock wave and rarefaction wave characteristics. Numerical modeling is explored in terms of the application of computational fluid dynamics techniques to describing flowfields in shock tubes. Shock interactions and propagation, in both solids, fluids, gases and mixed media are investigated, along with the behavior of shocks in condensed matter. Finally, chemical reactions that are initiated as the result of passage of a shock wave are discussed, together with methods of controlling the evolution of laminar separated flows at concave corners on advanced reentry vehicles.

Bershader, D.↗
DOE OSTI2021

Optimizing $\mathrm{ACRT}$ to reduce inclusion formation during the $\mathrm{VGF}$ growth of cadmium zinc telluride: I. Computational approach

Theoretical computations reveal insight into parameters that govern the accelerated crucible rotation technique (ACRT) applied to the gradient freeze (VGF) growth of cadmium zinc telluride (CZT). A metric based on the classic Mullins and Sekerka instability criterion is put forth that provides a quantitative means of assessing the impact of different ACRT rotation schedules on morphological stability and inclusion formation during CZT growth. Here this metric is employed in a 2-k factorial design of experiments that identifies the maximum rotation rate as the most important ACRT parameter, followed by the acceleration period and the rest period. Subsequent optimization of rotation schedule is performed for a specific VGF growth system, and mechanistic explanations are provided for the preferred ACRT schedule, which improves interface stability via slower rotation rates and longer acceleration periods than would be applied using classical ACRT schedules.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Review of the second charged-particle transport coefficient code comparison workshop

We report the results of the second charged-particle transport coefficient code comparison workshop, which was held in Livermore, California on 24–27 July 2023. This workshop gathered theoretical, computational, and experimental scientists to assess the state of computational and experimental techniques for understanding charged-particle transport coefficients relevant to high-energy-density plasma science. Data for electronic and ionic transport coefficients, namely, the direct current electrical conductivity, electron thermal conductivity, ion shear viscosity, and ion thermal conductivity were computed and compared for multiple plasma conditions. Additional comparisons were carried out for electron–ion properties such as the electron–ion equilibration time and alpha particle stopping power. Overall, 39 participants submitted calculated results from 18 independent approaches, spanning methods from parameterized semi-empirical models to time-dependent density functional theory. In the cases studied here, we find significant differences—several orders of magnitude—between approaches, particularly at lower temperatures, and smaller differences—roughly a factor of five—among first-principles models. We investigate the origins of these differences through comparisons of underlying predictions of ionic and electronic structure. The results of this workshop help to identify plasma conditions where computationally inexpensive approaches are accurate, where computationally expensive models are required, and where experimental measurements will have high impact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Discovery of multimechanisms of screw dislocation interaction in bcc iron from open-ended saddle point searches

Dislocation motion and interactions determine mechanical properties in body-centered cubic (bcc) metallic materials. However, studying mechanisms for the screw dislocation interaction is fundamentally challenging since many underlying processes involve mesotimescales and atomistic resolution, currently inaccessible by either experimental techniques or continuum theoretical methods. Here, in this paper, we develop a computational capability based on self-evolving atomistic kinetic Monte Carlo (SEAKMC) to sample the critical events and saddle point energies related to screw dislocations and their junctions. The method is first validated by calculating the stress dependence of Peierls barriers and formation energies of kink pairs and cross-slip kink pairs on a single screw dislocation in bcc iron. Then the method is applied to a binary junction of a pair of intersecting screw dislocations, the structure of which is crucial for low-temperature plastic deformation. We identify three important mechanisms: coplanar cross-slipping, jog-pinning, and a previously unknown unzipping mechanism during the evolution of the binary junction. The mechanisms are then further validated using classical molecular dynamics simulations. The computational capability developed in this paper provides an effective tool to evaluate screw dislocation related thermally activated events in complex stress conditions. The mechanisms discovered in this paper provide critical insights into temperature dependence of the anomalous slip, a breakdown of the Schmidt law, during the plastic deformation in bcc iron and can be generalized to other bcc metals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Artificial-Intelligence Aided Design and Synthesis of Novel Layered 2D Multi-Principal Element Materials for Energy Storage (Final Report)

This DOE-EPSCoR project aimed to predict, synthesize, and characterize novel layered two-dimensional (2D) high-entropy materials (HEMs). These 2D-HEMs, composed of multiple principal elements in nearly equal concentrations, are distinct from traditional 2D materials (typically containing two or three elements) and conventional alloys (dominated by a single primary element with minor secondary additions). Their unique structural and compositional features enable significant lattice strain accommodation, resulting in enhanced electrode performance and potential applications in catalysis, hydrogen storage, sensing, quantum information technologies, and flexible electronics. The research focused on addressing four fundamental questions: (i) What combinations of elements can form stable and synthesizable 2D-HEMs? (ii) What mechanisms drive the stability and synthesizability of crystalline single-phase 2D-HEMs? (iii) How do local chemical disorder and defects influence the macroscopic electronic and mechanical properties? and (iv) What charge storage mechanisms are active in selectively synthesized 2D-HEMs for battery and supercapacitor electrode applications? To achieve these goals, the project employed an integrated theory-experiment approach, incorporating high-throughput first-principles calculations, theoretical modeling, data mining, experimental synthesis, and advanced characterization techniques. The advanced computing resources and state-of-the-art experimental characterization facilities at Oak Ridge National Laboratory (ORNL) were leveraged through collaboration. Beyond scientific advancements, the project contributed to workforce development. Two postdoctoral researchers and three graduate students at the University of Maine were trained through co-advising by ORNL scientists and collaborative interactions, strengthening their expertise in cutting-edge materials science.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Sensor performance report, volume 4 (S-190A)

A summary of efforts expended to determine the radiometric accuracy and signal to noise ratio achieved by the S190A multispectral camera is reported. The technique used was to computer model the photographic system and to compare theoretical results to known or measured radiometric values. The two sources used as known targets for radiometric evaluation were the film broadband sensitometry and the lunar disc. From the analysis it appears feasible to attain an accuracy of 10% or better in radiometric accuracy. This however is contingent on contemporaneously exposing the target and spectral sensitometry.

Mendlowitz, R. A., Sr.↗
NASA NTRS1983

Radio scintillations observed during atmospheric occultations of Voyager: Internal gravity waves at Titan and magnetic field orientations at Jupiter and Saturn

The refractive index of planetary atmospheres at microwave frequencies is discussed. Physical models proposed for the refractive irregularities in the ionosphere and neutral atmosphere serve to characterize the atmospheric scattering structures, and are used subsequently to compute theoretical scintillation spectra for comparison with the Voyager occultation measurements. A technique for systematically analyzing and interpreting the signal fluctuations observed during planetary occultations is presented and applied to process the dual-wavelength data from the Voyager radio occultations by Jupiter, Saturn, and Titan. Results concerning the plasma irregularities in the upper ionospheres of Jupiter and Saturn are reported. The measured orientation of the irregularities is used to infer the magnetic field direction at several locations in the ionospheres of these two planets; the occultation measurements conflict with the predictions of Jovian magnetic field models, but generally confirm current models of Saturn's field. Wave parameters, including the vertical fluxes of energy and momentum, are estimated, and the source of the internal gravity waves discovered in Titan's upper atmosphere is considered.

Hinson, D. P.↗
NASA NTRS1994

Overview of the Oregon Transect Ecosystem Research Project

The Oregon Transect Ecosystem Research (OTTER) project is a study of ecosystem functions in coniferous forests using the methods of computer modeling, experimental and theoretical remote sensing, and ecological field and laboratory techniques. The study is focused on predicting the major fluxes of carbon, nitrogen, and water, and the factors that dynamically regulate them. The OTTER project was conceived to test two major questions: (1) Can a generalized ecosystem simulation model, designed to use mainly parameters available from remote sensing, predict the functioning of forests across an environmentally variable region? and (2) To what extent can the variables required by this model be derived from remotely sensed data? The scientific objectives and scope of the project demanded that a coordinated effort be made to link ground measurements with remote sensing and modeling requirements. OTTER was selected as a focus for a National Aeronautics and Space Administration (NASA)-sponsored Multi-sensor Aircraft Campaign (MAC; combining NASA aircraft and sensors with those of others) on the basis of experience gained in past ecosystem studies and remote-sensing projects, and the importance of the OTTER objectives to NASA's long-range science goals and plans. Having several independent approaches available, both on the ground and from various remote-sensing platforms, proved valuable in estimating and validating many of the critical variables. This experience and cross comparison should help simplify future studies of a similar nature. Edited data sets from the OTTER project are now available to the scientific community on optical disks or via on-line data banks at NASA (Washington, D.C., USA) and Oregon State University (Corvallis, Oregon, USA).

Peterson, David L.↗
NASA NTRS1983

Measurement of transmission loss characteristics using acoustic intensity techniques at the KU-FRL Acoustic Test Facility

The transmission loss characteristics of panels using the acoustic intensity technique is presented. The theoretical formulation, installation of hardware, modifications to the test facility, and development of computer programs and test procedures are described. A listing of all the programs is also provided. The initial test results indicate that the acoustic intensity technique is easily adapted to measure transmission loss characteristics of panels. Use of this method will give average transmission loss values. The fixtures developed to position the microphones along the grid points are very useful in plotting the intensity maps of vibrating panels.

Roskam, J.↗
DOE OSTI2026

Ensemble Kalman filter for data assimilation coupled with low-resolution computations techniques applied in fluid dynamics

This paper presents an innovative Reduced-order model (ROM) for merging experimental and simulation data using data assimilation (DA) to estimate the "True" state of a fluid dynamics system, leading to more accurate predictions. Our methodology introduces a novel approach by implementing the ensemble Kalman filter (EnKF) within a reduced-dimensional framework, grounded in a robust theoretical foundation and applied to fluid dynamics. To address the substantial computational demands of DA, the proposed ROM employs low-resolution (LR) techniques to drastically reduce computational costs. This innovative approach involves downsampling datasets for DA computations, followed by an advanced reconstruction technique based on low-cost singular value decomposition (lcSVD). The lcSVD method, a key innovation in this paper, has never been applied to DA before and offers a highly efficient way to enhance resolution with minimal computational resources. Our results demonstrate significant reductions in both computation time and RAM usage through these LR techniques without compromising the accuracy of the estimations. For instance, in a turbulent test case, for a data compression rate of 15.9, the LR approach can achieve a speed-up of 13.7 and a RAM compression of 90.9% while maintaining a low relative root mean square error (RRMSE) of 2.6%, compared to 0.8% in the high-resolution (HR) reference. Furthermore, we highlight the effectiveness of the EnKF in estimating and predicting the state of fluid flow systems based on limited observations and given low-fidelity numerical data. This paper highlights the potential of the proposed DA method in fluid dynamics applications, particularly for improving computational efficiency in CFD and related fields. Its ability to balance accuracy with low computational and memory costs makes it especially suitable for large-scale and real-time applications, such as environmental monitoring or engineering design. This method will be incorporated into ModelFLOWs-app.

Data Assimilation↗
NASA NTRS1988

Aeroacoustic research programs at the Army Aviation Research and Technology Activity

The Army rotorcraft aeroacoustic programs are reviewed, highlighting the theoretical and experimental progress made by Army researchers in the physical understanding of helicopter impulsive noise. The two impulsive noise sources addressed over this past decade are high-speed impulsive noise and blade-vortex interaction noise, both of which have had and will continue to have an increasing influence on Army rotorcraft design and operations. The advancements discussed are in the areas of in-flight data acquisition techniques, small-scale-model tests in wind tunnels, holographic interferometry/tomographic techniques, and the expanding capabilities of computational fluid dynamics in rotorcraft acoustic problems. Current theoretical prediction methods are compared with experimental data, and parameters that govern model scaling are established. The very successful cooperative efforts between the Army, NASA, and industry are also addressed

Yu, Yung H.↗
NASA NTRS2001

Vibrational Spectroscopy and Astrobiology

Role of vibrational spectroscopy in solving problems related to astrobiology will be discussed. Vibrational (infrared) spectroscopy is a very sensitive tool for identifying molecules. Theoretical approach used in this work is based on direct computation of anharmonic vibrational frequencies and intensities from electronic structure codes. One of the applications of this computational technique is possible identification of biological building blocks (amino acids, small peptides, DNA bases) in the interstellar medium (ISM). Identifying small biological molecules in the ISM is very important from the point of view of origin of life. Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational spectra of biomolecular building blocks and to create a database of spectroscopic signatures that can assist observations of these molecules in space. Another application of the direct computational spectroscopy technique is to help to design and analyze experimental observations of ice surfaces of one of the Jupiter's moons, Europa, that possibly contains hydrated salts. The presence of hydrated salts on the surface can be an indication of a subsurface ocean and the possible existence of life forms inhabiting such an ocean.

Chaban, Galina M.↗
NASA NTRS1979

Man-machine analysis of translation and work tasks of Skylab films

An objective approach to determine the concurrent validity of computer-graphic models is real time film analysis. This technique was illustrated through the procedures and results obtained in an evaluation of translation of Skylab mission astronauts. The quantitative analysis was facilitated by the use of an electronic film analyzer, minicomputer, and specifically supportive software. The uses of this technique for human factors research are: (1) validation of theoretical operator models; (2) biokinetic analysis; (3) objective data evaluation; (4) dynamic anthropometry; (5) empirical time-line analysis; and (6) consideration of human variability. Computer assisted techniques for interface design and evaluation have the potential for improving the capability for human factors engineering.

Hosler, W. W.↗