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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

A Coulomb collision algorithm for weighted particle simulations

A binary Coulomb collision algorithm is developed for weighted particle simulations employing Monte Carlo techniques. Charged particles within a given spatial grid cell are pair-wise scattered, explicitly conserving momentum and implicitly conserving energy. A similar algorithm developed by Takizuka and Abe (1977) conserves momentum and energy provided the particles are unweighted (each particle representing equal fractions of the total particle density). If applied as is to simulations incorporating weighted particles, the plasma temperatures equilibrate to an incorrect temperature, as compared to theory. Using the appropriate pairing statistics, a Coulomb collision algorithm is developed for weighted particles. The algorithm conserves energy and momentum and produces the appropriate relaxation time scales as compared to theoretical predictions. Such an algorithm is necessary for future work studying self-consistent multi-species kinetic transport.

Miller, Ronald H.↗
DOE OSTI2024

All-Atom Biomolecular Simulation in the Exascale Era

Exascale supercomputers have opened the door to dynamic simulations, facilitated by AI/ML techniques, that model biomolecular motions over unprecedented length and time scales. This new capability holds the potential to revolutionize our understanding of fundamental biological processes. Herein we report on some of the major advances that were discussed at a recent CECAM workshop in Pisa, Italy, on the topic with a primary focus on atomic-level simulations. First, we highlight examples of current large-scale biomolecular simulations and the future possibilities enabled by crossing the exascale threshold. Next, we discuss challenges to be overcome in optimizing the usage of these powerful resources. Finally, we close by listing several grand challenge problems that could be investigated with this new computer architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A Codesign Framework for Online Data Analysis and Reduction

In this paper we discuss our design of a toolset for automating performance studies of composed HPC applications that perform online data reduction and analysis. We describe Cheetah, a new framework for performing parametric studies on coupled applications. Cheetah facilitates understanding the impact of various factors such as process placement, synchronicity of algorithms, and storage vs. compute requirements for online analysis of large data. Ultimately, we aim to create a catalog of performance results that can help scientists understand tradeoffs when designing next-generation simulations that make use of online processing techniques. We illustrate the design choices of Cheetah by using a reaction-diffusion simulation (Gray-Scott) paired with an analysis application to demonstrate initial results of fine-grained process placement on Summit, a pre-exascale supercomputer at Oak Ridge National Laboratory.

Mehta, Kshitij↗
DOE OSTI2018

Chemical-Mechanical Modeling of Subcritical-to-Critical Fracture in Geomaterials

Predicting chemical-mechanical fracture initiation and propagation in materials is a critical problem, with broad relevance to a host of geoscience applications including subsurface storage and waste disposal, geothermal energy development, and oil and gas extraction. In this project, we have developed molecular simulation and coarse- graining techniques to obtain an atomistic-level understanding of the chemical- mechanical mechanisms that control subcritical crack propagation in materials under tension and impact the fracture toughness. We have applied these techniques to the fracture of fused quartz in vacuum, in distilled water, and in two salt solutions - 1M NaC1, 1M NaOH - that form relatively acidic and basic solutions respectively. We have also established the capability to conduct double-compression double-cleavage experiments in an environmental chamber to observe material fracture in aqueous solution. Both simulations and experiments indicate that fractures propagate fastest in NaC1 solutions, slower in distilled water, and even slower in air.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

An adaptive technique for estimating the atmospheric density profile during the AE mission

A technique is presented for processing accelerometer data obtained during the AE missions in order to estimate the atmospheric density profile. A minimum variance, adaptive filter is utilized. The trajectory of the probe and probe parameters are in a consider mode where their estimates are unimproved but their associated uncertainties are permitted an impact on filter behavior. Simulations indicate that the technique is effective in estimating a density profile to within a few percentage points.

Argentiero, P.↗
NASA NTRS1976

Research on MLS airborne antenna

Numerical solutions for the radiation patterns of antennas mounted on aircraft are developed. The airborne antenna problems associated with the Microwave Landing System (MLS) are emphasized. Based on the requirements of the MLS, volumetric pattern solutions are essential. Previous attempts at solving for the volumetric patterns were found to be far too complex and very inefficient. However as a result of previous efforts, it is possible to combine the elevation and roll plane pattern solutions to give the complete volumetric pattern. This combination is described as well as the aircraft simulation models used in the analysis. A numerical technique is presented to aid in the simulation of the aircraft studied. Finally, a description of the input data used in the computer code is given.

Yu, C. L.↗
NASA NTRS1984

A SEASAT SASS simulation experiment to quantify the errors related to a + or - 3 hour intermittent assimilation technique

A series of SEASAT repeat orbits over a sequence of best Low center positions is simulated by using the Seatrak satellite calculator. These Low centers are, upon appropriate interpolation to hourly positions, Located at various times during the + or - 3 hour assimilation cycle. Error analysis for a sample of best cyclone center positions taken from the Atlantic and Pacific oceans reveals a minimum average error of 1.1 deg of Longitude and a standard deviation of 0.9 deg of Longitude. The magnitude of the average error seems to suggest that by utilizing the + or - 3 hour window in the assimilation cycle, the quality of the SASS data is degraded to the Level of the background. A further consequence of this assimilation scheme is the effect which is manifested as a result of the blending of two or more more juxtaposed vector winds, generally possessing different properties (vector quantity and time). The outcome of this is to reduce gradients in the wind field and to deform isobaric and frontal patterns of the intial field.

Sylvester, W. B.↗
NASA NTRS1991

A computer graphics based model for scattering from objects of arbitrary shapes in the optical region

A computer-graphics-based model, named DIANA, is presented for generation of objects of arbitrary shape and for calculating bidirectional reflectances and scattering from them, in the visible and infrared region. The computer generation is based on a modified Lindenmayer system approach which makes it possible to generate objects of arbitrary shapes and to simulate their growth, dynamics, and movement. Rendering techniques are used to display an object on a computer screen with appropriate shading and shadowing and to calculate the scattering and reflectance from the object. The technique is illustrated with scattering from canopies of simulated corn plants.

Goel, Narendra S.↗
NASA NTRS1993

Computer simulation of initial events in the biochemical mechanisms of DNA damage

Understanding the systematic and quantitative correlation between the physical events of energy deposition by ionizing radiation and the ensuing chemical and biochemical processes leading to DNA damage is one of the goals in radiation research. Significant progress has been made toward achieving the stated goal by using theoretical modeling techniques. These techniques are strongly dependent on computer simulation procedures. A review of such techniques with details of various stages of simulation development, including a comparison with available experimental data, is presented in this article.

Non-NASA Center↗
NASA NTRS2022

Regolith Simulant Preparation and Geotechnical Characterization for Plume Surface Interaction Testing

Descent engine plumes interact with the lunar surface and accelerate regolith particles to potentially high velocities. These ejecta create risks to surface assets that have yet to be fully assessed. To better understand these risks, plume surface interactions can be simulated on the ground by firing a test engine plume into a bin of lunar regolith simulant under vacuum conditions. The dynamics of the resultant ejecta can then be recorded. In this technical memorandum we discuss the processes used in preparing a 150 kg bin of lunar regolith simulant for plume surface interaction ground tests under vacuum conditions for the NASA STMD Plume Surface Interaction project. We present our approach to mitigating regolith simulant eruptions during pump-down, the methods used to fill and reset the regolith simulant bin for each test, and the techniques used to characterize the consistency of regolith simulant geotechnical properties before each new firing. The challenges of preparing a regolith simulant test bin below an ambient pressure of one atmosphere, particularly on the large scale, could largely be overcome with a system that could fill the test bin with simulant inside the chamber and under vacuum conditions.

lunar regolith↗
NASA NTRS2012

High Fidelity Simulations of Plume Impingement to the International Space Station

With the retirement of the Space Shuttle, the United States now depends on recently developed commercial spacecraft to supply the International Space Station (ISS) with cargo. These new vehicles supplement ones from international partners including the Russian Progress, the European Autonomous Transfer Vehicle (ATV), and the Japanese H-II Transfer Vehicle (HTV). Furthermore, to carry crew to the ISS and supplement the capability currently provided exclusively by the Russian Soyuz, new designs and a refinement to a cargo vehicle design are in work. Many of these designs include features such as nozzle scarfing or simultaneous firing of multiple thrusters resulting in complex plumes. This results in a wide variety of complex plumes impinging upon the ISS. Therefore, to ensure safe "proximity operations" near the ISS, the need for accurate and efficient high fidelity simulation of plume impingement to the ISS is as high as ever. A capability combining computational fluid dynamics (CFD) and the Direct Simulation Monte Carlo (DSMC) techniques has been developed to properly model the large density variations encountered as the plume expands from the high pressure in the combustion chamber to the near vacuum conditions at the orbiting altitude of the ISS. Details of the computational tools employed by this method, including recent software enhancements and the best practices needed to achieve accurate simulations, are discussed. Several recent examples of the application of this high fidelity capability are presented. These examples highlight many of the real world, complex features of plume impingement that occur when "visiting vehicles" operate in the vicinity of the ISS.

Lumpkin, Forrest E., III↗
DOE OSTI2017

Real-time Recovery Efficiencies and Performance of the Palomar Transient Factory's Transient Discovery Pipeline

In this paper, we present the transient source detection efficiencies of the Palomar Transient Factory (PTF), parameterizing the number of transients that PTF found versus the number of similar transients that occurred over the same period in the survey search area but were missed. PTF was an optical sky survey carried out with the Palomar 48 inch telescope over 2009–2012, observing more than 8000 square degrees of sky with cadences of between one and five days, locating around 50,000 non-moving transient sources, and spectroscopically confirming around 1900 supernovae. We assess the effectiveness with which PTF detected transient sources, by inserting $\simeq 7$ million artificial point sources into real PTF data. We then study the efficiency with which the PTF real-time pipeline recovered these sources as a function of the source magnitude, host galaxy surface brightness, and various observing conditions (using proxies for seeing, sky brightness, and transparency). The product of this study is a multi-dimensional recovery efficiency grid appropriate for the range of observing conditions that PTF experienced and that can then be used for studies of the rates, environments, and luminosity functions of different transient types using detailed Monte Carlo simulations. Finally, we illustrate the technique using the observationally well-understood class of type Ia supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Towards improved mesh-designing techniques of spark-ignition engines in the framework of spectral element methods

In the current paper we present an advanced meshing technique to perform high-fidelity numerical simulations in spark ignition (SI) engines. The design of the mesh is critical towards generating physically consistent, high fidelity data especially in regions of complex boundaries inside the cylinder, e.g., near the spark plugs. This is primarily due to the mesh deformation caused by the motion of the valve near the plug and also finer mesh sizes in the spark plug region. In the current work, we demonstrate the use of an overlapping grid (overset) methodology to design the mesh in the spark-plug region in a 2D SI engine-like geometry for a high-order simulation, based on the spectral element method (SEM). The data in the overlapping region is exchanged between the spark-plug geometry and the geometry containing rest of the objects like the piston, cylinder head, valve etc., using a high order spectral interpolation technique. The numerical simulations have been further compared against the standard, single (non-overset) grid, meshing technique for the whole 2D domain. The results further illustrate the capability of overlapping grid methodology in handling mesh deformation compared to the standard grid case and also the ability to capture the flow dynamics with a similar level of fidelity as the standard one

overlapping grids↗
DOE OSTI2020

Fully compressible simulations of waves and core convection in main-sequence stars

Context: Recent, nonlinear simulations of wave generation and propagation in full-star models have been carried out in the anelastic approximation using spectral methods. Although it makes long time steps possible, this approach excludes the physics of sound waves completely and requires rather high artificial viscosity and thermal diffusivity for numerical stability. A direct comparison with observations is thus limited. Aims: In this study, we explore the capabilities of our compressible multidimensional Seven-League Hydro (SLH) code to simulate stellar oscillations. Methods: We compare some fundamental properties of internal gravity and pressure waves in 2D SLH simulations to linear wave theory using two test cases: (1) an interval gravity wave packet in the Boussinesq limit and (2) a realistic 3 M ⊙ stellar model with a convective core and a radiative envelope. Oscillation properties of the stellar model are also discussed in the context of observations. Results: Our tests show that specialized low-Mach techniques are necessary when simulating oscillations in stellar interiors. Basic properties of internal gravity and pressure waves in our simulations are in good agreement with linear wave theory. As compared to anelastic simulations of the same stellar model, we can follow internal gravity waves of much lower frequencies. The temporal frequency spectra of velocity and temperature are flat and compatible with the observed spectra of massive stars. Conclusion: The low-Mach compressible approach to hydrodynamical simulations of stellar oscillations is promising. Our simulations are less dissipative and require less luminosity boosting than comparable spectral simulations. The fully-compressible approach allows for the coupling of gravity and pressure waves in the outer convective envelopes of evolved stars to be studied in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Magnetic Reconnection in High Energy Density Laboratory Plasmas

Understanding the physics of collisionless, magnetized plasmas is key to unlocking a number of important problems in space and astrophysics. Magnetic reconnection is a fundamental mechanism which can explosively release stored magnetic energy, convert it to plasma heat and flows, and accelerate particles. In this project we developed technique and conducted experiments and simulations of magnetic reconnection in laser produces plasmas. Through this project, we also developed experimental techniques to generate magnetized collisionless shocks, and we therefore expanded the scope of the project to develop these experiments. These projects make fundamental progress on understanding the dynamics of magnetized laser-produced plasmas. In additional to plasma astrophysics, these results have broad interest for laboratory high energy density plasmas, since magnetic fields can be used to confine and control plasmas in many contexts and may offer new capabilities toward laboratory ignited plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1988

Diabatic initialization for a mesoscale model simulation experiment

A mesoscale model simulation of a 'surrogate' atmosphere designed for the evaluation of adiabatic initialization and moisture enhancement techniques is briefly described. The simulation provides mesoscale precipitation rates and associated diabatic heating fields which are known exactly and are internally consistent within the context of the model. The advantage of this approach is that a numerical model can easily serve as a source of mesoscale data in the usual absence of internally consistent mesoscale observed data sets.

Kalb, Michael W.↗
NASA NTRS2002

Comparison of a 3-D CFD-DSMC Solution Methodology With a Wind Tunnel Experiment

A solution method for problems that contain both continuum and rarefied flow regions is presented. The methodology is applied to flow about the 3-D Mars Sample Return Orbiter (MSRO) that has a highly compressed forebody flow, a shear layer where the flow separates from a forebody lip, and a low density wake. Because blunt body flow fields contain such disparate regions, employing a single numerical technique to solve the entire 3-D flow field is often impractical, or the technique does not apply. Direct simulation Monte Carlo (DSMC) could be employed to solve the entire flow field; however, the technique requires inordinate computational resources for continuum and near-continuum regions, and is best suited for the wake region. Computational fluid dynamics (CFD) will solve the high-density forebody flow, but continuum assumptions do not apply in the rarefied wake region. The CFD-DSMC approach presented herein may be a suitable way to obtain a higher fidelity solution.

Glass, Christopher E.↗