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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

A multi-domain method for subsonic viscous flows

We have developed a Schwarz type domain decomposition method for a pressure base, two- and three-dimensional Navier-Stokes solver. This technique allows one to partition a flow path, which can be characterized by complex geometry and/or complicated flow physics, into smaller sub-domains according to the local geometric simplicity or estimated flow scales. We can, then, sweep the sub-domains in some order and solve the Navier-Stokes equations using as boundary conditions, along the domain interfaces, the Dirichlet conditions which are taken from the most recent update of the solution in the adjacent neighboring domains. With this technique, one can minimize the adverse effects caused by grid skewness and the stiffness problem caused by disparate flow scales. Here, we report the results of a few fundamental flow cases to demonstrate that a judicious use of the multi-domain method can offer a significant convergence acceleration over the traditional one-domain method. This method can be extended to exploit the architecture of a parallel computer to further improve the speed.

Chan, Daniel C.↗
DOE OSTI2023

Proton acceleration in an overdense hydrogen plasma by intense CO 2 laser pulses with nonlinear propagation effects in the underdense pre-plasma

We report on proton acceleration from intense CO 2 laser-irradiated hydrogen plasmas at near-critical densities, with the density gradient steepened by Nd:YAG laser ablation-driven hydrodynamic shocks. While the experimental results, such as the quasi-monoenergetic proton spectra and their scaling with respect to the laser energy, are generally in agreement with the simulations, certain laser shots produced significantly higher proton energies than anticipated during the experiment. The increased proton energy may be linked to nonlinear propagation effects in the steepened plasma density ramp before the critical surface, including relativistic self-focusing and, for the case of temporally-structured laser pulses observed in the experiment, focusing of the trailing pulse through the plasma channel formed by the leading pulse 25 ps ahead. The occurrence of channel focusing in the underdense hydrogen plasma is supported by a subsequent pump-probe experiment with a dark-field imaging technique, where the formation of ion channels was observed after the passage of an intense CO 2 laser pulse

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Application of linear prolongation to coarse mesh finite difference acceleration in CASMO5

The Coarse-Mesh Finite Difference (CMFD) method has been used for over a decade to accelerate the convergence of the Method of Characteristics (MOC) solution to the two- dimensional particle transport equation in CASMO5. Numerical testing, along with widespread use in production-level calculations, have shown that the current CMFD implementation provides stability and robustness for a wide range of realistic reactor physics problems. However, the recent development of linear prolongation has attracted attention from the community as a way to further improve the performance and stability of CMFD. Two interpolation methods for linear prolongation are presented in this work and implemented into a test version of CASMO5. The performance of the proposed interpolations, referred to as the bilinear and linear directional schemes, is evaluated in terms of runtime relative to the default constant or uniform scaling update. Numerical results indicate that the use of linear prolongation can reduce the transport solver runtime on average by approximately 10% when tested with two hundred randomly selected cases. The new directional linear interpolation, combined with default constant boundary updates, is found to provide the highest reduction in runtime for the cases analyzed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers

The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottleneck screening the vast number of potential small molecules to shortlist lead compounds for antiviral drug development. New opportunities to accelerate drug discovery lie at the interface between machine learning methods, in this case, developed for linear accelerators, and physics-based methods. The two in silico methods, each have their own advantages and limitations which, interestingly, complement each other. Here, we present an innovative infrastructural development that combines both approaches to accelerate drug discovery. The scale of the potential resulting workflow is such that it is dependent on supercomputing to achieve extremely high throughput. We have demonstrated the viability of this workflow for the study of inhibitors for four COVID-19 target proteins and our ability to perform the required large-scale calculations to identify lead antiviral compounds through repurposing on a variety of supercomputers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Generation of ultrafast electron bunch trains via trapping into multiple periods of plasma wakefields

We demonstrate a novel approach to the generation of femtosecond electron bunch trains via laser-driven wakefield acceleration. We use two independent high-intensity laser pulses, a drive, and an injector, each creating their own plasma wakes. The interaction of the laser pulses and their wakes results in a periodic injection of free electrons in the drive plasma wake via several mechanisms, including ponderomotive drift, wake-wake interference, and pre-acceleration of electrons directly by strong laser fields. Electron trains were generated with up to four quasi-monoenergetic bunches, each separated in time by a plasma period. In conclusion, the time profile of the generated trains is deduced from an analysis of beam loading and confirmed using 2D particle-in-cell simulations

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Plasma electron contribution to beam emittance growth from Coulomb collisions in plasma-based accelerators

Coulomb collisions with background plasma can cause emittance growth in plasma accelerators. This paper extends the theory to consider collisions with not only motionless plasma ions but also plasma electrons with relativistic motion, based on the Frankel cross section. The theory is verified by particle-in-cell simulations with a Monte Carlo collision module. Further, it is shown that the electron contribution has the same amount as that of ions in linear acceleration regime and may not be negligible in nonlinear regime depending on the plasma electron density and its relativistic bulk velocity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Experimental validation of structural optimization methods

The topic of validating structural optimization methods by use of experimental results is addressed. The need for validating the methods as a way of effecting a greater and an accelerated acceptance of formal optimization methods by practicing engineering designers is described. The range of validation strategies is defined which includes comparison of optimization results with more traditional design approaches, establishing the accuracy of analyses used, and finally experimental validation of the optimization results. Examples of the use of experimental results to validate optimization techniques are described. The examples include experimental validation of the following: optimum design of a trussed beam; combined control-structure design of a cable-supported beam simulating an actively controlled space structure; minimum weight design of a beam with frequency constraints; minimization of the vibration response of helicopter rotor blade; minimum weight design of a turbine blade disk; aeroelastic optimization of an aircraft vertical fin; airfoil shape optimization for drag minimization; optimization of the shape of a hole in a plate for stress minimization; optimization to minimize beam dynamic response; and structural optimization of a low vibration helicopter rotor.

Adelman, Howard M.↗
NASA NTRS2003

Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

Daw, Murray S.↗
NASA NTRS1996

A Conforming Multigrid Method for the Pure Traction Problem of Linear Elasticity: Mixed Formulation

A multigrid method using conforming P-1 finite element is developed for the two-dimensional pure traction boundary value problem of linear elasticity. The convergence is uniform even as the material becomes nearly incompressible. A heuristic argument for acceleration of the multigrid method is discussed as well. Numerical results with and without this acceleration as well as performance estimates on a parallel computer are included.

Lee, Chang-Ock↗
NASA NTRS2010

Vibration Response Predictions for Heavy Panel Mounted Components from Panel Acreage Environment Specifications

The development of new launch vehicles in the Aerospace industry often relies on response measurements taken from previously developed vehicles during various stages of liftoff and ascent, and from wind tunnel models. These measurements include sound pressure levels, dynamic pressures in turbulent boundary layers and accelerations. Rigorous statistical scaling methods are applied to the data to derive new environments and estimate the performance of new skin panel structures. Scaling methods have proven to be reliable, particularly for designs similar to the vehicles used as the basis for scaling, and especially in regions of smooth acreage without exterior protuberances or heavy components mounted to the panel. To account for response attenuation of a panel-mounted component due to its apparent mass at higher frequencies, the vibroacoustics engineer often reduces the acreage vibration according to a weight ratio first suggested by Barrett. The accuracy of the reduction is reduced with increased weight of the panel-mounted component, and does not account for low-frequency amplification of the component/panel response as a system. A method is proposed that combines acreage vibration from scaling methods with finite element analysis to account for the frequency-dependent dynamics of heavy panel-mounted components. Since the acreage and mass-loaded skins respond to the same dynamic input pressure, such pressure may be eliminated in favor of a frequency-dependent scaling function applied to the acreage vibration to predict the mass-loaded panel response. The scaling function replaces the Barrett weight ratio, and contains all of the dynamic character of the loaded and unloaded skin panels. The solution simplifies for spatially uncorrelated and fully correlated input pressures. Since the prediction uses finite element models of the loaded and unloaded skins, a rich suite of response data are available to the design engineer, including interface forces, stress and strain, as well as acceleration and displacement. An extension of the method is also developed to incorporate the effect of a local protuberance near a heavy component. Acreage environments from traditional scaling methods with and without protuberance effects serve as the basis for the extension. Authors:

Harrison, Phillip↗
DOE OSTI2020

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

The restructuring of interfaces plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, in particular, often adopt very different compositions and morphologies at surfaces compared to the bulk. For the first time, we reveal a detailed atomistic picture of long-time scale restructuring of Pd deposited on Ag using microscopy, spectroscopy, and novel simulation methods. By developing and performing accelerated machine-learning molecular dynamics followed by an automated analysis method, we discover and characterize previously unidentified surface restructuring mechanisms in an unbiased fashion, including Pd-Ag place exchange and Ag pop-out as well as step ascent and descent. Remarkably, layer-by-layer dissolution of Pd into Ag is always preceded by an encapsulation of Pd islands by Ag, resulting in a significant migration of Ag out of the surface and a formation of extensive vacancy pits within a period of microseconds. These metastable structures are of vital catalytic importance, as Ag-encapsulated Pd remains much more accessible to reactants than bulk-dissolved Pd. We report our approach is broadly applicable to complex multimetallic systems and enables the previously intractable mechanistic investigation of restructuring dynamics at atomic resolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Language model-accelerated deep symbolic optimization

Symbolic optimization methods have been used to solve varied challenging and relevant problems such as symbolic regression and neural architecture search. However, the current state of the art typically learns each problem from scratch and is unable to leverage pre-existing knowledge and datasets that are available for many applications. Here, inspired by the similarity between sequence representations learned in natural language processing and the formulation of symbolic optimization as a discrete sequence optimization problem, we propose language model-accelerated deep symbolic optimization (LA-DSO), a method that leverages language models to learn symbolic optimization solutions more efficiently. We demonstrate LA-DSO in two tasks: symbolic regression, which allows us to perform extensive experimentation due to its low computation requirements, and computational antibody optimization, which shows that our proposal accelerates learning in challenging real-world problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Equilibrium Core Model for Micro Pebble Bed Reactors Using OpenMC

Estimating the equilibrium state for pebble bed reactors (PBRs) presents complex challenges as it requires simultaneous consideration of changes in the pebbles’ movement as well as their fuel compositions. Whereas traditional approaches use multigroup diffusion codes for neutronics calculations of PBRs’ equilibrium state, the double-heterogeneity of PBRs complicates neutron cross-section generation. Continuous-energy Monte Carlo (MC) methods are better suited for detailed PBR analysis because of their natural handling of double-heterogeneity, but they demand substantially more computational resources. Here, this study introduces a novel method for efficiently estimating the equilibrium state in small and micro PBRs with reduced computational cost. The method is anticipated to accelerate the processes of core design and performing parametric studies for utilizing advanced fuel and structural materials. The HTR-10 reactor design was used for validating the method’s predictions and evaluating its computational efficiency. When compared to reference calculation values from the literature, criticality (k-effective) was predicted to be approximately within the margin of error of the MC transport calculation, average core power density (in megawatts per cubic meter) was predicted within 2.5% relative error, and maximum thermal flux (10 13 n/cm 2 .s −1 ) was predicted within 1.8% relative error. The calculated inventory of fission products and fuel composition in the equilibrium core were within 15% and 16.6%, respectively, when compared to reported values from the literature. The difference is attributed to variance in the considered values of the core temperature, which was found to significantly affect the depletion analyses.

Equilibrium core↗
DOE OSTI2020

Survey of Dynamic Mode Decomposition Methods

Dynamic mode decomposition (DMD) is a data-driven reduced order modeling (ROM) technique used for dynamic systems. The widely adopted algorithm was first introduced and demonstrated on fluid flow data by Schmid. In recent years, various other fields, such as nuclear engineering, have begun to adopt this method. For example, DMD has been used for estimating α-eigenvalues, as an ROM for pulsed neutron problems, for predicting isotopic composition in burnup calculations, as acceleration techniques for iterative methods, and in capturing dynamic behaviors in molten salt reactor transients. This report seeks to demonstrate the capabilities and limits of the standard DMD algorithm, and identify problem spaces where variants may be better suited. The primary variant this report considers is Multi-Resolution DMD (mrDMD). Because this serves as a survey, synthetically produced data is used in lieu of simulation results. The remainder of this report will go into detail on the DMD theory, outline the standard DMD and mrDMD algorithms, present test cases highlighting the applicability of each, and finally present a discussion on how to determine the best suited algorithm for a given problem. All calculations performed in this report are carried out using the open source DMD library, PyDMD.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1923

A Study of Airplane Maneuvers with Special Reference to Angular Velocities

This investigation was undertaken by the National Advisory Committee for Aeronautics for the purpose of increasing our knowledge on the behavior of the airplane during various maneuvers and to obtain values of the maximum angular velocities and accelerations in flight. The method consisted in flying a JN4H airplane through various maneuvers while records were being taken of the control position, the air speed, the angular velocity and the acceleration along the Z axis. The results showed that the maximum angular velocity about the X axis of radians per second in a barrel roll. The maximum angular acceleration about the X axis of -2.10 radians per (second) to the 2nd power occurred in a spin, while the maximum about the Y axis was 1.40 radians per (second) to the 2nd power when pulling suddenly out of a dive. These results have direct application to the design of airplane parts, such as propeller shaft and instruments.

Reid, J E↗
DOE OSTI2025

An In Situ , Automated High-Explosives Aging Method Utilizing Two-Dimensional Gas Chromatography–Mass Spectrometry

Understanding chemical changes that occur in high explosives as they age is of great importance to the safe employment and storage of these compounds. Traditional methods of aging high explosives even under accelerated aging conditions are time intensive with durations on the order of months to years. The nature of traditional aging analyses reduces each sample to a snapshot data point often separated widely in time, requiring many assumptions as to how the degradation products develop. Further complicating matters, several analytical techniques are typically employed for each sample analysis in order to ascertain an entire picture of the decomposition pathways. To address these shortcomings with existing methods, a new method of accelerated aging of high explosives utilizing comprehensive two-dimensional gas chromatography coupled to high-resolution mass spectrometry (GC × GC-HRMS) was developed using 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) as a model compound for method development. This in situ automated method reduces the time scale of aging to a matter of hours using the inlet of the GC × GC as the aging vessel. GC × GC in combination with HRMS allowed for the collection of both evolved gases and other decomposition products produced during the entire aging process in real time with HRMS providing far greater certainty in identification of explosives aging products. Additionally, this method allowed for a higher throughput of samples with greatly simplified sample preparation. Chemometric analysis of the GC × GC-HRMS data set via the alteration analysis (ALA) enabled discovery of statistically significant chemical changes providing insight into the variation of decomposition pathways with varying aging temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Application of mesh refinement to relativistic magnetic reconnection

During relativistic magnetic reconnection, antiparallel magnetic fields undergo a rapid change in topology, releasing a large amount of energy in the form of non-thermal particle acceleration. This work explores the application of mesh refinement to 2D reconnection simulations to efficiently model the inherent disparity in length-scales. We have systematically investigated the effects of mesh refinement and determined necessary modifications to the algorithm required to mitigate non-physical artifacts at the coarse–fine interface. We have used the ultrahigh-order pseudo-spectral analytical time-domain Maxwell solver to analyze how its use can mitigate the numerical dispersion that occurs with the finite-difference time-domain (or “Yee”) method. Absorbing layers are introduced at the coarse–fine interface to eliminate spurious effects that occur with mesh refinement. We also study how damping the electromagnetic fields and current density in the absorbing layer can help prevent the non-physical accumulation of charge and current density at the coarse–fine interface. Using a mesh refinement ratio of 8 for two-dimensional magnetic reconnection simulations, we obtained good agreement with the high-resolution baseline simulation, using only 36% of the macroparticles and 71% of the node-hours needed for the baseline. The methods presented here are especially applicable to 3D systems where higher memory savings are expected than in 2D, enabling comprehensive, computationally efficient 3D reconnection studies in the future.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

Acceleration levels on the heat flow and convection demonstration, Apollo 14

The method and data for determining the accelerations on the heat flow and convection demonstration are presented. From the analysis, it is concluded that accelerations as low as 0.02 micro g can be detected by using the attitude look angles to the earth and sun, the Apollo trajectory ephemeris, and the ephemeris of the sun.

Gatewood, E.↗