SEARCH · Search NASA

Results for “Advanced Modeling and Simulation”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,333 records · Page 74

All sources NASA NTRS DOE OSTI

DOE OSTI2016

Progress in Modeling and Simulation of Batteries

Modeling and simulation of batteries, in conjunction with theory and experiment, are important research tools that offer opportunities for advancement of technologies that are critical to electric motors. The development of data from the application of these tools can provide the basis for managerial and technical decision-making. Together, these will continue to transform batteries for electric vehicles. This collection of nine papers presents the modeling and simulation of batteries and the continuing contribution being made to this impressive progress, including topics that cover: * Thermal behavior and characteristics * Battery management system design and analysis * Moderately high-fidelity 3D capabilities * Optimization Techniques and Durability As electric vehicles continue to gain interest from manufacturers and consumers alike, improvements in economy and affordability, as well as adoption of alternative fuel sources to meet government mandates are driving battery research and development. Progress in modeling and simulation will continue to contribute to battery improvements that deliver increased power, energy storage, and durability to further enhance the appeal of electric vehicles.

batteries↗

DOE OSTI2021

Biomembrane Structure and Material Properties Studied With Neutron Scattering

Cell membranes and their associated structures are dynamical supramolecular structures where different physiological processes take place. Detailed knowledge of their static and dynamic structures is therefore needed, to better understand membrane biology. The structure–function relationship is a basic tenet in biology and has been pursued using a range of different experimental approaches. In this review, we will discuss one approach, namely the use of neutron scattering techniques as applied, primarily, to model membrane systems composed of lipid bilayers. An advantage of neutron scattering, compared to other scattering techniques, is the differential sensitivity of neutrons to isotopes of hydrogen and, as a result, the relative ease of altering sample contrast by substituting protium for deuterium. This property makes neutrons an ideal probe for the study of hydrogen-rich materials, such as biomembranes. In this review article, we describe isotopic labeling studies of model and viable membranes, and discuss novel applications of neutron contrast variation in order to gain unique insights into the structure, dynamics, and molecular interactions of biological membranes. We specifically focus on how small-angle neutron scattering data is modeled using different contrast data and molecular dynamics simulations. We also briefly discuss neutron reflectometry and present a few recent advances that have taken place in neutron spin echo spectroscopy studies and the unique membrane mechanical data that can be derived from them, primarily due to new models used to fit the data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Implementation and Validation of a Generalized Actuator Disk Parameterization for Wind Turbine Simulations Within the FastEddy Model

ABSTRACT Fast and accurate large‐eddy simulation (LES) of the atmospheric boundary layer plays a crucial role in advancing wind energy research. Long‐duration wind farm studies at turbine‐resolving scales have become increasingly important to understand the intricate interactions between large wind farms and the atmospheric boundary layer. However, the prohibitive computational cost of these turbulence‐ and turbine‐resolving simulations has precluded such modeling to be exercised on a regular basis. To that end, we implement and validate the generalized actuator disk (GAD) model in the computationally efficient, graphics processing unit (GPU)–resident, LES model FastEddy. We perform single‐turbine simulations under three atmospheric stabilities (neutral, unstable, and stable) and compare them against observations from the Scaled Wind Farm Technology (SWiFT) facility and other LES codes from the recent Wakebench turbine wake model benchmark. Our idealized LES results agree well with observed wake velocity deficit and downstream recovery across stability regimes. Turbine response in terms of rotational speed, generated power, torque, and thrust coefficient are well predicted across stability regimes and are consistent with the LES results from the benchmark. The FastEddy simulations are found to be at least two orders of magnitude more efficient than the traditional CPU‐based LES models, opening the door for realistic LES simulations of full wind plants as a viable standard practice.

17 WIND ENERGY↗

DOE OSTI2018

Predicting Near-Term Changes in the Earth System: A Large Ensemble of Initialized Decadal Prediction Simulations Using the Community Earth System Model

The objective of near-term climate prediction is to improve our fore-knowledge, from years to a decade or more in advance, of impactful climate changes that can in general be attributed to a combination of internal and externally forced variability. Predictions initialized using observations of past climate states are tested by comparing their ability to reproduce past climate evolution with that of uninitialized simulations in which the same radiative forcings are applied. A new set of decadal prediction (DP) simulations has recently been completed using the Community Earth System Model (CESM) and is now available to the community. This new large-ensemble (LE) set (CESM-DPLE) is composed of historical simulations that are integrated forward for 10 years following initialization on 1 November of each year between 1954 and 2015. CESM-DPLE represents the “initialized” counterpart to the widely studied CESM Large Ensemble (CESM-LE); both simulation sets have 40-member ensembles, and they use identical model code and radiative forcings. Comparing CESM-DPLE to CESM-LE highlights the impacts of initialization on prediction skill and indicates that robust assessment and interpretation of DP skill may require much larger ensembles than current protocols recommend. CESM-DPLE exhibits significant and potentially useful prediction skill for a wide range of fields, regions, and time scales, and it shows widespread improvement over simpler benchmark forecasts as well as over a previous initialized system that was submitted to phase 5 of the Coupled Model Intercomparison Project (CMIP5). Finally, the new DP system offers new capabilities that will be of interest to a broad community pursuing Earth system prediction research.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

RVA: A Plugin for ParaView 3.14

RVA is a plugin developed for the 64-bit Windows version of the ParaView 3.14 visualization package. RVA is designed to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize and enhance the state-of-the-art visualization capabilities within ParaView, readily allowing joint visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed on enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results between selected wells, simplified volumetric calculations, global vertical exaggeration adjustments, ingestion of UTChem simulation results, ingestion of Isatis geostatistical framework models, interrogation of joint geologic and reservoir modeling results, joint visualization and analysis of well history files, location-targeted visualization, advanced correlation analysis, visualization of flow paths, and creation of static images and animations highlighting targeted reservoir features.

Source record↗

DOE OSTI2015

RVA. 3-D Visualization and Analysis Software to Support Management of Oil and Gas Resources

A free software application, RVA, has been developed as a plugin to the US DOE-funded ParaView visualization package, to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed as an open-source plugin to the 64 bit Windows version of ParaView 3.14. RVA was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize and enhance the state-of-the-art visualization capabilities within ParaView, readily allowing joint visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed on enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results between selected wells, simplified volumetric calculations, global vertical exaggeration adjustments, ingestion of UTChem simulation results, ingestion of Isatis geostatistical framework models, interrogation of joint geologic and reservoir modeling results, joint visualization and analysis of well history files, location-targeted visualization, advanced correlation analysis, visualization of flow paths, and creation of static images and animations highlighting targeted reservoir features.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

RVA: A Plugin for ParaView 3.14

Source record↗

NASA NTRS1995

Dynamic response tests of inertial and optical wind-tunnel model attitude measurement devices

Results are presented for an experimental study of the response of inertial and optical wind-tunnel model attitude measurement systems in a wind-off simulated dynamic environment. This study is part of an ongoing activity at the NASA Langley Research Center to develop high accuracy, advanced model attitude measurement systems that can be used in a dynamic wind-tunnel environment. This activity was prompted by the inertial model attitude sensor response observed during high levels of model vibration which results in a model attitude measurement bias error. Significant bias errors in model attitude measurement were found for the measurement using the inertial device during wind-off dynamic testing of a model system. The amount of bias present during wind-tunnel tests will depend on the amplitudes of the model dynamic response and the modal characteristics of the model system. Correction models are presented that predict the vibration-induced bias errors to a high degree of accuracy for the vibration modes characterized in the simulated dynamic environment. The optical system results were uncorrupted by model vibration in the laboratory setup.

Buehrle, R. D.↗

DOE OSTI2023

Using Metadynamics to Reveal Extractant Conformational Free Energy Landscapes

Understanding the impact of extractant functionalization on metal-binding energetics in liquid-liquid extraction is essential to guide the development of better separation processes. Traditionally, computational extractant design uses electronic structure calculations on metal-ligand clusters to determine the metal-binding energy of the lowest energy state. Although highly accurate, this approach does not account for all of the relevant physics encountered under experimental conditions. Such methodologies often neglect entropic contributions such as temperature effects and ligand flexibility, in addition to approximating solvent-extractant interactions with implicit solvent models. In this study, we use classical molecular dynamics simulations with an advanced sampling method, metadynamics, to map out extractant molecule conformational free energies in the condensed phase. Here we generate the complete conformational landscape in solution for a family of bidentate malonamide-based extractants with different functionalizations of the headgroup and the side chains. In particular, we show how such alkyl functionalization reshapes the free energy landscape, affecting the free energy penalty of organizing the extractant into the cis-like metal-binding conformation from the trans-like conformation of the free extractant in solution. Specifically, functionalizing alkyl tails to the center of the headgroup has a greater influence on increasing molecular rigidity and disfavoring the binding conformation than functionalizing side chains. These findings are consistent with trends in metal-binding energetics based on experimentally reported distribution ratios. We also consider a different bidentate extractant molecule, carbamoylmethylphosphine oxide, and show how the choice of solvent can further reshape the conformational energetic landscape. This study demonstrates the feasibility of using molecular dynamics simulations with advanced sampling techniques to investigate extractant conformational energetics in solution, which, more broadly, will enable extractant design that accounts for entropic effects and explicit solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

A new dump system design for stray light reduction of Thomson scattering diagnostic system on EAST

Thomson scattering (TS) diagnostic is an important diagnostic for measuring electron temperature and density during plasma discharge. However, the measurement of Thomson scattering signal is disturbed by the stray light easily. The stray light sources in the Experimental Advanced Superconducting Tokamak (EAST) TS diagnostic system were analyzed by a simulation model of the diagnostic system, and simulation results show that the dump system is the primary stray light source. Based on the optics theory and the simulation analysis, a novel dump system including an improved beam trap was proposed and installed. The measurement results indicate that the new dump system can reduce more than 60% of the stray light for the diagnostic system, and the influence of stray light on the error of measured density decreases.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Implicit full-F simulations of neoclassical ion transport

The development of implicit time integration capabilities for axisymmetric full-F continuum simulations of ion neoclassical transport is reported. The approach involves the implicit treatment of the gyrokinetic Vlasov equation coupled to the nonlinear Fokker–Planck collision model in the long-wavelength limit approximation. To facilitate implicit simulations, advanced preconditioning of individual physics operators is developed, and a global multi-physics preconditioner is constructed by adopting an operator splitting methodology. The algorithm is implemented in the finite-volume code COGENT and is applied to study neoclassical transport properties for both the main ion species and the lithium impurity species in the closed-field-line region of the LTX- β tokamak. The implicit COGENT simulations elucidate the role of non-local transport effects, while demonstrating substantial speedup over the corresponding explicit approach.

Dorf, Mikhail [Lawrence Livermore National Laborat↗

DOE OSTI2018

Incorporation of Spatial Stochastic Variability into Paracousti-UQ

Waves propagating through natural materials such as ocean water encounter spatial variations in material properties that cannot easily be predicted or known in advance. Deterministic wave simulation algorithms must assume that all properties throughout the model space are precisely known. However, a stochastic wave simulation tool can parameterize the material as a stochastic medium with a certain probability distribution and correlation length. This report documents the addition of spatial stochastic variability into Paracousti-UQ, Sandia Geophysics Department's 3-D full waveform acoustic algorithm within stochastic media. The ability of the code to replicate Monte Carlo solutions in 1-D spatially variable media is also evaluated.

58 GEOSCIENCES↗

DOE OSTI2020

Collaborative Research: Improved Efficiency and Coupling of the Radiation Code in the ACME Earth System Model. Final Report

This final report details all work performed on the project by both project partners. This project provided support to properly couple RTE+RRTMGP, a high-performance broadband radiation code, within DOE’s Energy Exascale Earth System Model (E3SM). RTE+RRTMGP is a successor to the RRTMG radiation code, which has been widely accepted for its speed and accuracy by the global modeling community, and has been in use in the NCAR CESM for many years and was implemented in the initial version of E3SM. However, the computational cost of RRTMG remains high relative to other components in part due to its complexity and to its inefficient use of modern optimization strategies, issues that were rectified by the development of RTE+RRTMGP. Many of the accomplishment in this project necessitated significant collaboration with the E3SM development team. One focus of the project was to enhance the code’s optimization on the limited number of emerging computing systems on which the model is expected be used, including Many Integrated Core (MIC) architectures and Graphics Processing Unit (GPU) hardware. We also developed additional capabilities for RTE+RRTMGP that E3SM scientists identified as important for the planned applications of the model. The result of our project was optimization of a key physical component (radiative transfer calculations) of E3SM, directly supporting E3SM’s overarching global modeling objectives. More broadly, this project provided overall advancements in the use of radiative transfer calculations in atmospheric modeling and simulation, particularly for climate.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Two-Dimensional Silk Crystal Films as Matrix Layer for High-Performance Microelectronics

This study explores a bio-inspired approach for memristive devices by combining Keggin-type polyoxometalates (POMs)-[SiW 12 O 40 ] 4 (POM-T) and [PW 12 O 40 ] 3 (POM-P), with silk fibroin (SF) to create 2D SF–POM layers on highly ordered pyrolytic graphite (HOPG) as resistive switching layers for memristors. We propose that the ordered SF layer template 0D POMs facilitate the formation of conductive filaments, thereby enhancing the variability of the manufactured memristors. AFM analysis revealed that both SF and SF–POM layers shared similar morphologies, while SF–POM–T formed larger aggregates, likely due to the stronger acidity of POM-T, which probably caused SF to aggregate and alter its secondary structure. Scanning Kelvin probe microscopy (SKPM) revealed that POMs reduced the contact potential difference of HOPG, resulting in lower work functions. Compared to an SF device, the SF–POM–P device showed improved memristive behavior, with a larger current gap and good repeatability over multiple sweeps; whereas the SF–POM–T device did not exhibit memristor activity, likely due to acidity-induced disruption of the SF template’s order and CF formation. More importantly, SF–POM–P devices also demonstrated programmable memristive states. Finally, combining simulation-driven memristor modeling, we showcase a co-design workflow for advancing bioinspired memristors through new materials design, synthesis, and device modeling and development.

36 MATERIALS SCIENCE↗

NASA NTRS1979

Advanced turbo-prop airplane interior noise reduction-source definition

Acoustic pressure amplitudes and phases were measured in model scale on the surface of a rigid semicylinder mounted in an acoustically treated wind tunnel near a prop-fan (an advanced turboprop with many swept blades) model. Operating conditions during the test simulated those of a prop-fan at 0.8 Mach number cruise. Acoustic pressure amplitude and phase contours were defined on the semicylinder surface. Measurements obtained without the semi-cylinder in place were used to establish the magnitude of pressure doubling for an aircraft fuselage located near a prop-fan. Pressure doubling effects were found to be 6dB at 90 deg incidence decreasing to no effect at grazing incidence. Comparisons of measurements with predictions made using a recently developed prop-fan noise prediction theory which includes linear and non-linear source terms showed good agreement in phase and in peak noise amplitude. Predictions of noise amplitude and phase contours, including pressure doubling effects derived from test, are included for a full scale prop-fan installation.

Magliozzi, B.↗

NASA NTRS1984

Improved 2-dimensional-kinetics computer program

The analytical capability of the existing Two-Dimensional Kinetics (TDK)/Boundary Layer Module (BLM) computer program for performance of Orbit Transfer Vehicle (OTV) thrust chambers was examined. Areas which need further examination and improvement are the thick boundary layer inviscid core flow interaction and the related thrust loss calculation. To warrant highly accurate results the provision of the best available program input data is mandatory, as well as, the use of sophisticated modeling techniques to reduce computation time with advanced error control criteria. The simulation of wall shocks, Mach-shocks, and shocks induced by large concave wall curvature is essential since this interaction with each other produces flow field changes which in turn affect the nozzle performance.

Nickerson, G. R.↗

NASA NTRS1984

Improved two-dimensional-kinetics computer program

The objective of this research is to increase the analytical capability of the existing TDK/BLM computer program for performance of OTV thrust chambers. Areas which need further examination and improvement are the thick boundary layer inviscid core flow interaction and the related thrust loss calculation. To warrent highly accurate results the provision of the best available program input data is mandatory as well as the use of sophisticated modeling techniques to reduce computation time with advanced error control criteria. The simulation of wall shocks and Mach-shocks in addition to shocks induced by large concave wall curvature is essential since this interaction with each other produces flow field changes which in turn affect the nozzle performance.

Source record↗

NASA NTRS2009

Real-Time Hardware-in-the-Loop Simulation of Ares I Launch Vehicle

The Ares Real-Time Environment for Modeling, Integration, and Simulation (ARTEMIS) has been developed for use by the Ares I launch vehicle System Integration Laboratory at the Marshall Space Flight Center. The primary purpose of the Ares System Integration Laboratory is to test the vehicle avionics hardware and software in a hardware - in-the-loop environment to certify that the integrated system is prepared for flight. ARTEMIS has been designed to be the real-time simulation backbone to stimulate all required Ares components for verification testing. ARTE_VIIS provides high -fidelity dynamics, actuator, and sensor models to simulate an accurate flight trajectory in order to ensure realistic test conditions. ARTEMIS has been designed to take advantage of the advances in underlying computational power now available to support hardware-in-the-loop testing to achieve real-time simulation with unprecedented model fidelity. A modular realtime design relying on a fully distributed computing architecture has been implemented.

Tobbe, Patrick↗