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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Xyce Case Study

With the elimination of underground nuclear testing and declining defense budgets, science-based stockpile stewardship requires increased reliance on high performance modeling and simulation of weapon systems. Today's weapon systems are comprised of various electrical components and systems. As a result, there is a need for tools that will allow the use of massively parallel modeling and simulation techniques on high performance computers in existing and future weapons' electrical systems models. The Xyce Parallel Electronic Simulator is a SPICE (Simulation Program with Integrated Circuit Emphasis)- compatible circuit simulator designed to run on large-scale parallel computing platforms, though it can also execute efficiently on a variety of architectures including single processor workstations. As a mature platform for large-scale parallel circuit simulation, Xyce supports standard capabilities available in commercial simulators, in addition to various devices and models specific to Sandia's needs. Specifically, Xyce aids in the design and verification of electrical and electronic circuits and systems prior to weapons' manufacturing and deployment.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Evaluating Chemical Kinetics Predictions for Propane Using 3-D and 0-D Models in a Boosted Spark-Ignited Engine

Propane has been shown to be a promising alternative fuel to reduce emissions while simultaneously achieving high efficiencies in medium- and heavy-duty engines. These high-power density applications require boosted engines which, combined with high compression ratio, can lead to auto-ignition and knock. While three-dimensional (3-D) computational fluid dynamics (CFD) models are often used for resolving the complex fluid flow in engines, these models can become computationally expensive when simulating detailed chemical kinetics. Likewise, zero-dimensional (0-D) models are computationally concise enough for kinetics development, but lack any flow-field information which governs the flame propagation processes in spark ignition (SI) engines. This work presents a comprehensive comparison between 3-D and 0-D closed cycle simulations at knocking conditions in a high compression ratio high stroke-to-bore ratio propane engine. In order to initialize the flow-field for the 3-D closed cycle (intake valve closing, (IVC) to exhaust valve opening, (EVO)) simulation, a motored multi-cycle 3-D model was run using Converge to create a map at IVC, reducing the computational time. The map allowed a non-homogeneous 3-D closed cycle simulation to be satisfactorily validated against experiments, while a homogeneous case using only the turbulence field mapping was also simulated, mimicking 0-D modeling. The 3-D simulations were used to prescribe the initial conditions (e.g., IVC thermodynamics, speciation, burn-rate profile) for a 2-zone 0-D SI engine model in Chemkin Pro for both cases. It was found that 2-zone 0-D modeling underpredicted the knock onset timing, likely due to the lack of thermal stratification in the unburned gas region. Future work will carry multi-zone 0-D modeling to capture the fuel auto-ignition in the unburned region.

Douvry-Rabjeau, Julien [Oakland University, Roches↗
DOE OSTI2024

Leveraging Artificial Intelligence to Expedite Antibody Design and Enhance Antibody–Antigen Interactions

This perspective sheds light on the transformative impact of recent computational advancements in the field of protein therapeutics, with a particular focus on the design and development of antibodies. Cutting-edge computational methods have revolutionized our understanding of protein–protein interactions (PPIs), enhancing the efficacy of protein therapeutics in preclinical and clinical settings. Central to these advancements is the application of machine learning and deep learning, which offers unprecedented insights into the intricate mechanisms of PPIs and facilitates precise control over protein functions. Despite these advancements, the complex structural nuances of antibodies pose ongoing challenges in their design and optimization. Our review provides a comprehensive exploration of the latest deep learning approaches, including language models and diffusion techniques, and their role in surmounting these challenges. We also present a critical analysis of these methods, offering insights to drive further progress in this rapidly evolving field. The paper includes practical recommendations for the application of these computational techniques, supplemented with independent benchmark studies. These studies focus on key performance metrics such as accuracy and the ease of program execution, providing a valuable resource for researchers engaged in antibody design and development. Through this detailed perspective, we aim to contribute to the advancement of antibody design, equipping researchers with the tools and knowledge to navigate the complexities of this field.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

System analysis for the Huntsville Operational Support Center distributed computer system

A simulation model was developed and programmed in three languages BASIC, PASCAL, and SLAM. Two of the programs are included in this report, the BASIC and the PASCAL language programs. SLAM is not supported by NASA/MSFC facilities and hence was not included. The statistical comparison of simulations of the same HOSC system configurations are in good agreement and are in agreement with the operational statistics of HOSC that were obtained. Three variations of the most recent HOSC configuration was run and some conclusions drawn as to the system performance under these variations.

Ingels, E. M.↗
NASA NTRS1989

CSM research: Methods and application studies

Computational mechanics is that discipline of applied science and engineering devoted to the study of physical phenomena by means of computational methods based on mathematical modeling and simulation, utilizing digital computers. The discipline combines theoretical and applied mechanics, approximation theory, numerical analysis, and computer science. Computational mechanics has had a major impact on engineering analysis and design. When applied to structural mechanics, the discipline is referred to herein as computational structural mechanics. Complex structures being considered by NASA for the 1990's include composite primary aircraft structures and the space station. These structures will be much more difficult to analyze than today's structures and necessitate a major upgrade in computerized structural analysis technology. NASA has initiated a research activity in structural analysis called Computational Structural Mechanics (CSM). The broad objective of the CSM activity is to develop advanced structural analysis technology that will exploit modern and emerging computers, such as those with vector and/or parallel processing capabilities. Here, the current research directions for the Methods and Application Studies Team of the Langley CSM activity are described.

Knight, Norman F., Jr.↗
NASA NTRS2002

The Virtual Test Bed Project

This is a report of my activities as a NASA Fellow during the summer of 2002 at the NASA Kennedy Space Center (KSC). The core of these activities is the assigned project: the Virtual Test Bed (VTB) from the Spaceport Engineering and Technology Directorate. The VTB Project has its foundations in the NASA Ames Research Center (ARC) Intelligent Launch & Range Operations program. The objective of the VTB project is to develop a new and unique collaborative computing environment where simulation models can be hosted and integrated in a seamless fashion. This collaborative computing environment will be used to build a Virtual Range as well as a Virtual Spaceport. This project will work as a technology pipeline to research, develop, test and validate R&D efforts against real time operations without interfering with the actual operations or consuming the operational personnel s time. This report will also focus on the systems issues required to conceptualize and provide form to a systems architecture capable of handling the different demands.

Rabelo, Luis C.↗
NASA NTRS1995

Modeling human vestibular responses during eccentric rotation and off vertical axis rotation

A mathematical model has been developed to help explain human multi-sensory interactions. The most important constituent of the model is the hypothesis that the nervous system incorporates knowledge of sensory dynamics into an "internal model" of these dynamics. This internal model allows the nervous system to integrate the sensory information from many different sensors into a coherent estimate of self-motion. The essence of the model is unchanged from a previously published model of monkey eye movement responses; only a few variables have been adjusted to yield the prediction of human responses. During eccentric rotation, the model predicts that the axis of eye rotation shifts slightly toward alignment with gravito-inertial force. The model also predicts that the time course of the perception of tilt following the acceleration phase of eccentric rotation is much slower than that during deceleration. During off vertical axis rotation (OVAR) the model predicts a small horizontal bias along with small horizontal, vertical, and torsional oscillations. Following OVAR stimulation, when stopped right- or left-side down, a small vertical component is predicted that decays with the horizontal post-rotatory response. All of the predictions are consistent with measurements of human responses.

NASA Discipline Neuroscience↗
DOE OSTI2022

Snowmass2021 Computational Frontier White Paper: Cosmological Simulations and Modeling

Powerful new observational facilities will come online over the next decade, enabling a number of discovery opportunities in the "Cosmic Frontier", which targets understanding of the physics of the early universe, dark matter and dark energy, and cosmological probes of fundamental physics, such as neutrino masses and modifications of Einstein gravity. Synergies between different experiments will be leveraged to present new classes of cosmic probes as well as to minimize systematic biases present in individual surveys. Success of this observational program requires actively pairing it with a well-matched state-of-the-art simulation and modeling effort. Next-generation cosmological modeling will increasingly focus on physically rich simulations able to model outputs of sky surveys spanning multiple wavebands. These simulations will have unprecedented resolution, volume coverage, and must deliver guaranteed high-fidelity results for individual surveys as well as for the cross-correlations across different surveys. The needed advances are as follows: (1) Development of scientifically rich and broadly-scoped simulations, which capture the relevant physics and correlations between probes (2) Accurate translation of simulation results into realistic image or spectral data to be directly compared with observations (3) Improved emulators and/or data-driven methods serving as surrogates for expensive simulations, constructed from a finite set of full-physics simulations (4) Detailed and transparent verification and validation programs for both simulations and analysis tools. (Abridged)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Elimination LArTPC Simulation Uncertainty With Modifcations to TPC Wire Waveforms

This paper introduces a novel approach to reducing systematic uncertainties in LArTPC detector simulations, which arise from known detector effects that are challenging and computationally intensive to model. The proposed method involves modifying simulated waveforms based on observed discrepancies in ionization signals from the TPC between actual data and simulations. This approach reduces the sensitivity to detailed detector modeling and decreases the computational resources required for accurate simulations.

Mktchyan, Karen↗
NASA NTRS1978

Employing static excitation control and tie line reactance to stabilize wind turbine generators

An analytical representation of a wind turbine generator is presented which employs blade pitch angle feedback control. A mathematical model was formulated. With the functioning MOD-0 wind turbine serving as a practical case study, results of computer simulations of the model as applied to the problem of dynamic stability at rated load are also presented. The effect of the tower shadow was included in the input to the system. Different configurations of the drive train, and optimal values of the tie line reactance were used in the simulations. Computer results revealed that a static excitation control system coupled with optimal values of the tie line reactance would effectively reduce oscillations of the power output, without the use of a slip clutch.

Hwang, H. H.↗
NASA NTRS1992

Synchronization Of Parallel Discrete Event Simulations

Adaptive, parallel, discrete-event-simulation-synchronization algorithm, Breathing Time Buckets, developed in Synchronous Parallel Environment for Emulation and Discrete Event Simulation (SPEEDES) operating system. Algorithm allows parallel simulations to process events optimistically in fluctuating time cycles that naturally adapt while simulation in progress. Combines best of optimistic and conservative synchronization strategies while avoiding major disadvantages. Algorithm processes events optimistically in time cycles adapting while simulation in progress. Well suited for modeling communication networks, for large-scale war games, for simulated flights of aircraft, for simulations of computer equipment, for mathematical modeling, for interactive engineering simulations, and for depictions of flows of information.

Steinman, Jeffrey S.↗
NASA NTRS1980

The analysis of delays in simulator digital computing systems. Volume 1: Formulation of an analysis approach using a central example simulator model

The effects of spurious delays in real time digital computing systems are examined. Various sources of spurious delays are defined and analyzed using an extant simulator system as an example. A specific analysis procedure is set forth and four cases are viewed in terms of their time and frequency domain characteristics. Numerical solutions are obtained for three single rate one- and two-computer examples, and the analysis problem is formulated for a two-rate, two-computer example.

Heffley, R. K.↗
NASA NTRS1993

CFD code calibration and inlet-fairing effects on a 3D hypersonic powered-simulation model

A three-dimensional (3D) computational study has been performed addressing issues related to the wind tunnel testing of a hypersonic powered-simulation model. The study consisted of three objectives. The first objective was to calibrate a state-of-the-art computational fluid dynamics (CFD) code in its ability to predict hypersonic powered-simulation flows by comparing CFD solutions with experimental surface pressure dam. Aftbody lower surface pressures were well predicted, but lower surface wing pressures were less accurately predicted. The second objective was to determine the 3D effects on the aftbody created by fairing over the inlet; this was accomplished by comparing the CFD solutions of two closed-inlet powered configurations with a flowing-inlet powered configuration. Although results at four freestream Mach numbers indicate that the exhaust plume tends to isolate the aftbody surface from most forebody flowfield differences, a smooth inlet fairing provides the least aftbody force and moment variation compared to a flowing inlet. The final objective was to predict and understand the 3D characteristics of exhaust plume development at selected points on a representative flight path. Results showed a dramatic effect of plume expansion onto the wings as the freestream Mach number and corresponding nozzle pressure ratio are increased.

Huebner, Lawrence D.↗
NASA NTRS1993

CFD Code Calibration and Inlet-Fairing Effects On a 3D Hypersonic Powered-Simulation Model

A three-dimensional (3D) computational study has been performed addressing issues related to the wind tunnel testing of a hypersonic powered-simulation model. The study consisted of three objectives. The first objective was to calibrate a state-of-the-art computational fluid dynamics (CFD) code in its ability to predict hypersonic powered-simulation flows by comparing CFD solutions with experimental surface pressure data. Aftbody lower surface pressures were well predicted, but lower surface wing pressures were less accurately predicted. The second objective was to determine the 3D effects on the aftbody created by fairing over the inlet; this was accomplished by comparing the CFD solutions of two closed-inlet powered configurations with a flowing- inlet powered configuration. Although results at four freestream Mach numbers indicate that the exhaust plume tends to isolate the aftbody surface from most forebody flow- field differences, a smooth inlet fairing provides the least aftbody force and moment variation compared to a flowing inlet. The final objective was to predict and understand the 3D characteristics of exhaust plume development at selected points on a representative flight path. Results showed a dramatic effect of plume expansion onto the wings as the freestream Mach number and corresponding nozzle pressure ratio are increased.

Huebner, Lawrence D.↗
NASA NTRS1976

Simulation and modeling of the deep space receiver interaction with channel decoding performance

Computer models were developed in an attempt to reproduce the sequential decoder computation curve of Deep Space Network (DSN) ground station receivers, by simulation of the binary data output of the Gaussian channel with the carrier phaselock loop and the subcarrier demodulator assembly. Simulations were run at bit rates equal to the powers of 2 from 8 to 2,048, and agreement with DSN data was generally good above 32 bits per second. Simulation results at data rates of 8, 16, and 32 bits per second did not closely match experimental data. This simulation provides a more accurate prediction of DSN computation lengths than either current mathematical models or simulations without both the subcarrier demodulator and carrier loop.

Jones, H. W., Jr.↗
DOE OSTI2023

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗
NASA NTRS1987

Computer simulation of fibrillation threshold measurements and electrophysiologic testing procedures

A finite element model of cardiac conduction was used to simulate two experimental protocols: 1) fibrillation threshold measurements and 2) clinical electrophysiologic (EP) testing procedures. The model consisted of a cylindrical lattice whose properties were determined by four parameters: element length, conduction velocity, mean refractory period, and standard deviation of refractory periods. Different stimulation patterns were applied to the lattice under a given set of lattice parameter values and the response of the model was observed through a simulated electrocardiogram. The studies confirm that the model can account for observations made in experimental fibrillation threshold measurements and in clinical EP testing protocols.

NASA Discipline Cardiopulmonary↗
DOE OSTI2022

Efficient emulation of relativistic heavy ion collisions with transfer learning

Measurements from the Large Hadron Collider (LHC) and the Relativistic Heavy Ion Collider (RHIC) can be used to study the properties of quark-gluon plasma. Systematic constraints on these properties must combine measurements from different collision systems and methodically account for experimental and theoretical uncertainties. Such studies require a vast number of costly numerical simulations. While computationally inexpensive surrogate models (“emulators”) can be used to efficiently approximate the predictions of heavy ion simulations across a broad range of model parameters, training a reliable emulator remains a computationally expensive task. We use transfer learning to map the parameter dependencies of one model emulator onto another, leveraging similarities between different simulations of heavy ion collisions. By limiting the need for large numbers of simulations to only one of the emulators, this technique reduces the numerical cost of comprehensive uncertainty quantification when studying multiple collision systems and exploring different models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗