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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Efficiency in nonequilibrium molecular dynamics Monte Carlo simulations

Hybrid algorithms combining nonequilibrium molecular dynamics and Monte Carlo (neMD/MC) offer a powerful avenue for improving the sampling efficiency of computer simulations of complex systems. These neMD/MC algorithms are also increasingly finding use in applications where conventional approaches are impractical, such as constant-pH simulations with explicit solvent. However, selecting an optimal nonequilibrium protocol for maximum efficiency often represents a non-trivial challenge. This work evaluates the efficiency of a broad class of neMD/MC algorithms and protocols within the theoretical framework of linear response theory. The approximations are validated against constant pH-MD simulations and shown to provide accurate predictions of neMD/MC performance. An assessment of a large set of protocols confirms (both theoretically and empirically) that a linear work protocol gives the best neMD/MC performance. Lastly, a well-defined criterion for optimizing the time parameters of the protocol is proposed and demonstrated with an adaptive algorithm that improves the performance on-the-fly with minimal cost.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

User's manual for a computer program for the emulation/simulation of a space station Environmental Control and Life Support System (ESCM)

This manual describes how to use the Emulation Simulation Computer Model (ESCM). Based on G189A, ESCM computes the transient performance of a Space Station atmospheric revitalization subsystem (ARS) with CO2 removal provided by a solid amine water desorbed subsystem called SAWD. Many performance parameters are computed some of which are cabin CO2 partial pressure, relative humidity, temperature, O2 partial pressure, and dew point. The program allows the user to simulate various possible combinations of man loading, metabolic profiles, cabin volumes and certain hypothesized failures that could occur.

Yanosy, James L.↗
DOE OSTI2018

An Event Detection Framework for Virtual Observation System: Anomaly Identification for an ACME Land Simulation

Based on previous work on in-situ data transfer infrastructure and compiler-based software analysis, we have designed a virtual observation system for real time computer simulations. This paper presents an event detection framework for a virtual observation system. By using signal processing and detection approaches to the memory-based data streams, this framework can be reconfigured to capture high-frequency events and low-frequency events. These approaches used in the framework can dramatically reduce the data transfer needed for in-situ data analysis (between distributed computing nodes or between the CPU/GPU nodes). In the paper, we also use a terrestrial ecosystem system simulation within the Earth System Model to demonstrate the practical values of this effort.

Yao, Cindy↗
NASA NTRS1989

Numerical simulation of controlled large space structures

Large Space Structures do not have much damping, which necessitates the installation of a controller onto the structure. If the controller is improperly designed, the structure may become unstable and be destroyed. Since Large Space Structures are extremely expensive pieces of hardware, new controllers must not be tested first on the structure. They must first be tested in computer simulations. Until now, the usual procedure for simulating controlled Large Space Structures is to compute a reduced order modal representation of the structure and then apply the controller. However, this procedure entails modal truncation error. A new software package which is free from this error is currently under development within the Center for Space Construction. The more accurate finite element representation of the structure is used in the simulation, instead of the less accurate reduced order modal representation. This software also features an efficient matrix storage scheme, which effectively deals with the asymmetric system matrices which occur when control is added to the structure. Also, an integration algorithm was chosen so that the simulation is a reliable indicator of system stability or instability. The software package is fairly general in nature. Linearity of the finite element model and of the controller is the only assumption made. Actuator dynamics, sensor dynamics, noise, and disturbances can be handled by the package. In addition, output feedback of displacement, velocity, and/or acceleration signals can be simulated. Kalman state estimation was also implemented. This software was tested on a finite element model of a real Large Space Structure: The Mini-Mast Truss. Mini-Mast is a testbed at NASA-Langley which is currently under development. A 714 degree of freedom finite element model was computed, and a 19 state controller was designed for it. Torque wheel dynamics were added to the model, and the entire closed loop system was simulated with the software package.

Quan, Ralph↗
NASA NTRS1990

Numerical simulations of interacting disk galaxies

Galaxy-galaxy interactions have long attracted many extragalactic astronomers in various aspects. A number of computer simulations performed in the 1970s have successfully reproduced the peculiar morphologies observed in interacting disk galaxies and clarified that tidal deformation explains most of the observed global peculiarities. However, most of these simulations have used test particles in modelling the disk component. Tidal response of a self-gravitating disk remains to be further clarified. Another topic which is intensely discussed at present is the relation between galaxy-galaxy interactions and activity. Many observations suggest that interactions trigger strong starbursts and possibly active galactic nuclei (AGN). However, the detailed mechanism of triggering is not yet clear. It is vital here to understand the dynamics of interstellar gas. In order to understand various phenomena related to galaxy-galaxy interactions (mainly for disk galaxies), the author performed a series of numerical simulations on close galaxy encounters which includes both interstellar gas and self-gravitating disk components. In these simulations, the galaxy model to be perturbed (target galaxy) consists of a halo and a disk. The halo was treated as a rigid spherical gravitational field which is assumed to remain fixed during the interaction. The disk is composed of stars and gas. The stellar disk was constructed by 20000 collisionless particles of the same mass. Those particles move in the halo gravitational field, interacting with each other and with the perturber. Therefore, the self-graviy of the disk is properly taken into account. Stellar particles were initially given circular velocities with small random motions required to stabilize the disk against local axisymmetric disturbances. The gravitational field of the stellar disk was calculated by the particle-mesh scheme (e.g. Hockney and Eastwood 1981). The gaseous component was modelled by the cloud-particle scheme (e.g. Roberts and Hausman 1984). Here, the authors represent the gas as an ensemble of small spheres (i.e. clouds) and include the creation of an OB star in a cloud-cloud collision and subsequent velocity push on nearby clouds due to a supernova explosion.

Noguchi, Masafumi↗
NASA NTRS1992

Comparison of simulated and actual wind shear radar data products

Prior to the development of the NASA experimental wind shear radar system, extensive computer simulations were conducted to determine the performance of the radar in combined weather and ground clutter environments. The simulation of the radar used analytical microburst models to determine weather returns and synthetic aperture radar (SAR) maps to determine ground clutter returns. These simulations were used to guide the development of hazard detection algorithms and to predict their performance. The structure of the radar simulation is reviewed. Actual flight data results from the Orlando and Denver tests are compared with simulated results. Areas of agreement and disagreement of actual and simulated results are shown.

Britt, Charles L.↗
NASA NTRS1992

Electric and hybrid electric vehicle study utilizing a time-stepping simulation

The applicability of NASA's advanced power technologies to electric and hybrid vehicles was assessed using a time-stepping computer simulation to model electric and hybrid vehicles operating over the Federal Urban Driving Schedule (FUDS). Both the energy and power demands of the FUDS were taken into account and vehicle economy, range, and performance were addressed simultaneously. Results indicate that a hybrid electric vehicle (HEV) configured with a flywheel buffer energy storage device and a free-piston Stirling convertor fulfills the emissions, fuel economy, range, and performance requirements that would make it acceptable to the consumer. It is noted that an assessment to determine which of the candidate technologies are suited for the HEV application has yet to be made. A proper assessment should take into account the fuel economy and range, along with the driveability and total emissions produced.

Schreiber, Jeffrey G.↗
NASA NTRS2006

Modeling of Transient Flow Mixing of Streams Injected into a Mixing Chamber

Ignition is recognized as one the critical drivers in the reliability of multiple-start rocket engines. Residual combustion products from previous engine operation can condense on valves and related structures thereby creating difficulties for subsequent starting procedures. Alternative ignition methods that require fewer valves can mitigate the valve reliability problem, but require improved understanding of the spatial and temporal propellant distribution in the pre-ignition chamber. Current design tools based mainly on one-dimensional analysis and empirical models cannot predict local details of the injection and ignition processes. The goal of this work is to evaluate the capability of the modern computational fluid dynamics (CFD) tools in predicting the transient flow mixing in pre-ignition environment by comparing the results with the experimental data. This study is a part of a program to improve analytical methods and methodologies to analyze reliability and durability of combustion devices. In the present paper we describe a series of detailed computational simulations of the unsteady mixing events as the cold propellants are first introduced into the chamber as a first step in providing this necessary environmental description. The present computational modeling represents a complement to parallel experimental simulations' and includes comparisons with experimental results from that effort. A large number of rocket engine ignition studies has been previously reported. Here we limit our discussion to the work discussed in Refs. 2, 3 and 4 which is both similar to and different from the present approach. The similarities arise from the fact that both efforts involve detailed experimental/computational simulations of the ignition problem. The differences arise from the underlying philosophy of the two endeavors. The approach in Refs. 2 to 4 is a classical ignition study in which the focus is on the response of a propellant mixture to an ignition source, with emphasis on the level of energy needed for ignition and the ensuing flame propagation issues. Our focus in the present paper is on identifying the unsteady mixing processes that provide the propellant mixture in which the ignition source is to be placed. In particular, we wish to characterize the spatial and temporal mixture distribution with a view toward identifying preferred spatial and temporal locations for the ignition source. As such, the present work is limited to cold flow (pre-ignition) conditions

Voytovych, Dmytro M.↗
DOE OSTI2026

A Scalable Reduced‐Order Model for the Steady Navier–Stokes Equations

Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional numerical methods are computationally intractable even for intermediate pilot plant scales. Recently, the component reduced order modeling method has been developed to tackle this challenge by combining projection reduced order modeling and discontinuous Galerkin domain decomposition. However, while many scientific or engineering applications involve nonlinear physics, this method has only been demonstrated for various linear systems. In this work, the component reduced order modeling method is extended to steady Navier–Stokes flow, with application to general nonlinear physics in view. The large‐scale, global domain is decomposed into a combination of small‐scale unit component. Linear subspaces for flow velocity and pressure are identified via proper orthogonal decomposition over sample snapshots collected from each small‐scale unit component. Velocity bases are augmented with a pressure supremizer to satisfy the inf–sup condition for stable pressure prediction. Two different nonlinear reduced order modeling methods are employed and compared for efficient evaluation of nonlinear advection: A third‐order tensor projection operator and the empirical quadrature procedure. The proposed method is demonstrated on the flow over arrays of five different unit objects, achieving a 23‐fold speedup with less than 4% relative error in domains up to 256 times larger than the unit components. Furthermore, a numerical experiment with the pressure supremizer strongly indicates the need for a supremizer for stable pressure prediction. A comparison between the tensorial approach and the empirical quadrature procedure revealed a slight advantage of the empirical quadrature procedure. The framework is compared with an alternating Schwarz‐based reduced‐order approach, demonstrating improved efficiency and robustness for the DG‐based global solver while retaining flexibility for sub‐scale iterative solvers. The method is further extended to a coupled advection–diffusion and Navier–Stokes system, illustrating its applicability to multi‐physics problems and its potential for more general, inter‐coupled nonlinear systems.

42 ENGINEERING↗
DOE OSTI2021

RKKY coupled local-moment magnetism in NaFe 1 – x Cu x As

A central question in a large class of strongly correlated electron systems, including heavy fermion compounds and iron pnictides, is the identification of different phases and their origins. It has been shown that the antiferromagnetic (AFM) phase in some heavy fermion compounds is induced by Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between localized moments, and that the competition between this interaction and Kondo effect is responsible for quantum criticality. However, conclusive experimental evidence of the RKKY interaction in pnictides is lacking. Here, using high resolution 23 Na NMR measurements on lightly Cu-doped metallic single crystals of NaFe 1–x Cu x As (x ≈ 0.01) and numerical simulation, we show direct evidence of the RKKY interaction in this pnictide system. Aided by computer simulation, we identify the 23 Na NMR satellite resonances with the RKKY oscillations of spin polarization at Fe sites. Our 23 Na spin-lattice and spin-spin relaxation data exhibit a signature of an itinerant and inhomogeneous AFM phase in this system, accompanied by a simulation of Cu-induced perturbation to the ordered moments on the Fe sites. Our NMR results indicate coexistence of local and itinerant magnetism in lightly Cu-doped NaFe 1–x Cux As.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Dakota Technical Support Demonstrations and Software Improvements

Caterpillar, Inc. (Caterpillar) and Sandia National Laboratories (SNL) continued their partnership to improve SNL's open source Dakota software product and effectively deploy it to Caterpillar engineering design and analysis problems. Several new features that are expected to benefit not only Caterpillar but also the entire Dakota user community were introduced. In addition, SNL and Caterpillar cooperated extensively to conduct a demonstration of Dakota's uncertainty quantification capabilities on a computational simulation of relevance to Caterpillar.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Elimination LArTPC Simulation Uncertainty

Liquid Argon Time Projection Chambers (LArTPC) are essential for detecting muons and neutrinos by capturing electrons released during particle collisions, which drift toward wire planes under an electric field and induce currents measured to reconstruct particle paths. However, LArTPCs face challenges from effects such as electron-ion recombination, electron diffusion, and electron attenuation, complicating data simulation. The Short Baseline Neutrino (SNB) detector aims to measure neutrinos before oscillation occurs. To bridge the gap between simulation and actual data, we propose modifying the amplitude and width of signals on the TPC wires, addressing uncertainties by adjusting signal characteristics to better match observed data. A Gaussian fit to current waveforms produces hits with associated charge and width, and by comparing data and simulated values, discrepancies highlight areas where the model fails. Initial results indicate the current modification algorithm may increase divergence between simulation and data, necessitating further refinement. A discovered bug in the WireModMakeHist_plug.cpp file, which incorrectly computed simulation and data ratios, underscores the need for precise algorithm adjustments. Future work involves correcting code errors, fine-tuning the model, and conducting multiple simulation runs to enhance statistical confidence and reduce uncertainties, ultimately aiming for accurate LArTPC operation and reliable neutrino detection.

Mkrtchyan, Ka'ren↗
NASA NTRS1972

Hypersonic and transonic buzz measurements on the lower pitch flap of the M2-F2 lifting entry configuration

Free-oscillation damping measurements at hypersonic and transonic Mach numbers are presented for the lower pitch flap of the M2-F2 reentry vehicle. For the flow and model conditions tested, the damping measurements indicate the absence of hypersonic buzz instability for flap rotation frequencies of 47.3 Hz, 153 Hz, and 360 Hz, the presence of transonic buzz for 47.3 Hz flap, and the absence of transonic buzz for a 115 Hz flap. There are not enough flap damping data for an error estimate based on repeatability, but a partial damping calibration is presented in which an analog computer simulation of random flap response for a known flap damping is fed into the autocorrelation computer and filter combination used for most of the damping measurements.

Warner, R. W.↗
NASA NTRS1972

A preliminary design study for a cosmic X-ray spectrometer

The results are described of theoretical and experimental investigations aimed at the development of a curved crystal cosmic X-ray spectrometer to be used at the focal plane of the large orbiting X-ray telescope on the third High Energy Astronomical Observatory. The effort was concentrated on the development of spectrometer concepts and their evaluation by theoretical analysis, computer simulation, and laboratory testing with breadboard arrangements of crystals and detectors. In addition, a computer-controlled facility for precision testing and evaluation of crystals in air and vacuum was constructed. A summary of research objectives and results is included.

Source record↗
NASA NTRS1987

Controlled Ecological Life Support System: Regenerative Life Support Systems in Space

A wide range of topics related to the extended support of humans in space are covered. Overviews of research conducted in Japan, Europe, and the U.S. are presented. The methods and technologies required to recycle materials, especially respiratory gases, within a closed system are examined. Also presented are issues related to plant and algal productivity, efficiency, and processing methods. Computer simulation of closed systems, discussions of radiation effects on systems stability, and modeling of a computer bioregenerative system are also covered.

Macelroy, Robert D.↗
NASA NTRS1988

The robust application of computed torque control to manipulators subject to saturation

A technique is presented which allows use of an exact linearization (EL) control for robot manipulators for those cases when actuator saturation cannot be ignored. A modification of a nonlinear dynamic compensation technique that has been successfully used in the feedback amplifiers is applied to a case of a nonredundant manipulator. Computer simulation for a two-link planar robot arm illustrates the advantages of the modified computed torque technique compared to the traditional linear full state control.

Lokshin, Anatole↗
NASA NTRS1988

A study of carbon monoxide distribution determinations for a global transport model

The primary objective of this grant was to further the development of a global transport/chemistry model that simulates the physico-chemical behavior of methane and carbon monoxide in the troposphere. The computer simulation model is designed to analyze the processes that occur as methane and carbon monoxide are transported from their respective sources to their ultimate fate, e.g., final conversion to CO2, transport to the stratosphere, deposition at ground level, etc.

Peters, Leonard K.↗
NASA NTRS1961

Analytical Evaluation of a Method of Midcourse Guidance for Rendezvous with Earth Satellites

A digital-computer simulation was made of the midcourse or ascent phase of a rendezvous between a ferry vehicle and a space station. The simulation involved a closed-loop guidance system in which both the relative position and relative velocity between ferry and station are measured (by simulated radar) and the relative-velocity corrections required to null the miss distance are computed and applied. The results are used to study the effectiveness of a particular set of guidance equations and to study the effects of errors in the launch conditions and errors in the navigation data. A number of trajectories were investigated over a variety of initial conditions for cases in which the space station was in a circular orbit and also in an elliptic orbit. Trajectories are described in terms of a rotating coordinate system fixed in the station. As a result of this study the following conclusions are drawn. Successful rendezvous can be achieved even with launch conditions which are substantially less accurate than those obtained with present-day techniques. The average total-velocity correction required during the midcourse phase is directly proportional to the radar accuracy but the miss distance is not. Errors in the time of booster burnout or in the position of the ferry at booster burnout are less important than errors in the ferry velocity at booster burnout. The use of dead bands to account for errors in the navigational (radar) equipment appears to depend upon a compromise between the magnitude of the velocity corrections to be made and the allowable miss distance at the termination of the midcourse phase of the rendezvous. When approximate guidance equations are used, there are limits on their accuracy which are dependent on the angular distance about the earth to the expected point of rendezvous.

Eggleston, John M.↗