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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 397 records · Page 22
All sourcesNASA NTRSDOE 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 OSTI2022

Verification of a fully kinetic ion model for electromagnetic simulations of high-frequency waves in toroidal geometry

For the research of high-frequency electromagnetic waves in tokamaks, an electromagnetic simulation model, in which the ion dynamics is described by a six-dimensional Vlasov equation and the electron dynamics is described by a drift kinetic equation, is formulated and implemented in the global gyrokinetic toroidal code (GTC). Analytic dispersion relations are derived in reduced systems and compared with various theories to verify the model. Linear simulations of a generalized ion Bernstein wave and ion cyclotron emission are verified by comparing the GTC simulation results with analytic dispersion relation theory and magnetoacoustic cyclotron instability theory, respectively, in cylindrical geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Application of Artificial Neural Networks to Reliable Nuclear Data for Nonproliferation Modeling and Simulation

Detection and identification of special nuclear materials (SNMs) are an essential part of the US nonproliferation effort. Modern cutting-edge SNM detection methodologies rely more and more on modeling and simulation techniques. Experiments with radiological samples in realistic configurations, is the ultimate tool that establishes the minimum detection limits of SNMs in a host of different geometries. Modern modeling and simulation approaches have the potential to significantly reduce the number of experiments with radioactive sources needed to determine these detection limits and reduce the financial barrier to SNM detection. Unreliable nuclear data is one of the principal causes of uncertainty in modeling and simulating nuclear systems. In particular, nuclear cross sections introduce a significant uncertainty in the nuclear data. The goal of this research is to develop a methodology that will autonomously extract the correct nuclear resonance characteristics of experimental data in a reliable way, a task previously left to expert judgement. Accurate nuclear data will in turn allow contemporary modeling and simulation to become far more reliable, de-escalating the extent of experimental testing. Modeling and simulation techniques reduce the use and distribution of radiological sources, while at the same time increase the reliability of the currently used methods for the detection and identification of SNMs.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

WATTS: Workflow and template toolkit for simulation

Modeling and simulation in many science and engineering domains often involves the execution and/or iteration of a sequence of applications, with data transfer between applications typically required. These applications often do not have a formal application programming interface (API). Instead, executing an application requires first writing a text-based input file, the format of which is typically defined in a user’s manual. While text-based input files are suitable for simple one-off calculations, they can become cumbersome if a user wants to execute the applications multiple times and systematically vary input parameters, especially when a complex workflow is involved. In this case, they must resort to either manually making changes in the input file or developing their own script that modifies the input file and executes the application. Depending on the format of the input file, writing such a script can be a non-trivial and error-prone task.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Neutron Diffusion Model for Prompt Burst Simulation in Fissile Solutions

A simulation model, based on neutron diffusion, has been developed to predict prompt burst excursions in fissile solutions. This model combines neutron diffusion with simple expressions for radiolytic gas generation and solution temperature change through a neutron cross-section model that accounts for reactivity changes. The simulation model tracks neutron flux as a function of time and position during transients. The model is intended to serve as a general survey tool for the behavior of unreflected aqueous fissile solutions commonly encountered at a variety of nuclear materials processing facilities. The model has been tested against experimental data from the KEWB and Silene research reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Equation-based object-oriented modeling and simulation of data center cooling systems

In this paper, we introduce a newly developed open source data center package in the Modelica Buildings library to support modeling and simulation of cooling and control systems of data centers. The data center package contains major thermal and control component models, such as Computer Room Air Handler, Computer Room Air Conditioner, models of different subsystem configurations such as chillers with differently configured waterside economizers, as well as templates for different systems. Two case studies based on this package are performed to investigate the performances of the cooling and electrical system under normal conditions and emergency situations such as a blackout: one is for a data center powered by conventional energy, and the other is for a data center powered by renewable energy. Simulation results show that the dynamic modeling and multi-domain simulation in the Modelica-based tool make it convenient for users to investigate both normal and emergent operations for conventional and renewable data centers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

Evaluation of Cloud-resolving and Limited Area Model Intercomparison Simulations using TWP-ICE Observations. Part 2: Rain Microphysics

Ten 3D cloud-resolving model (CRM) simulations and four 3D limited area model (LAM) simulations of an intense mesoscale convective system observed on January 23-24, 2006 during the Tropical Warm Pool – International Cloud Experiment (TWP-ICE) are compared with each other and with observations and retrievals from a scanning polarimetric radar, co-located UHF and VHF vertical profilers, and a Joss-Waldvogel disdrometer in an attempt to explain published results showing a low bias in simulated stratiform rainfall. Despite different forcing methodologies, similar precipitation microphysics errors appear in CRMs and LAMs with differences that depend on the details of the bulk microphysics scheme used. One-moment schemes produce too many small raindrops, which biases Doppler velocities low, but produces rain water contents (RWCs) that are similar to observed. Two-moment rain schemes with a gamma shape parameter (μ) of 0 produce excessive size sorting, which leads to larger Doppler velocities than those produced in one-moment schemes, but lower RWCs than observed. Two moment schemes also produce a convective median volume diameter distribution that is too broad relative to observations and thus, may have issues balancing raindrop formation, collision coalescence, and raindrop breakup. Assuming a μ of 2.5 rather than 0 for the raindrop size distribution improves one-moment scheme biases, and allowing μ to have values greater than 0 may improve two-moment schemes. Under-predicted stratiform rain rates are associated with under-predicted ice water contents at the melting level rather than excessive rain evaporation, in turn likely associated with convective detrainment that is too high in the troposphere and mesoscale circulations that are too weak. In addition to stronger convective updrafts than observed, limited domain size prevents a large, well-developed stratiform region from developing in CRMs, while a dry bias in ECMWF analyses does the same to the LAMs.

cloud-resolving↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of 5 subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the 5 pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

Dim, Odera↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of five subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the five pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2015

A Finite Element Model for Simulation of Carbon Dioxide Sequestration

We present a hydro-mechanical model, followed by stress, deformation, and shear-slip failure analysis for geological sequestration of carbon dioxide (CO2). The model considers the poroelastic effects by taking into account of the two-way coupling between the geomechanical response and the fluid flow process. Analytical solutions for pressure and deformation fields were derived for a typical geological sequestration scenario in our previous work. A finite element approach is introduced here for numerically solving the hydro-mechanical model with arbitrary boundary conditions. The numerical approach was built on an open-source finite element code Elmer, and results were compared to the analytical solutions. The shear-slip failure analysis was presented based on the numerical results, where the potential failure zone is identified. Information is relevant to the prediction of the maximum sustainable injection rate or pressure. The effects of caprock permeability on the fluid pressure, deformation, stress, and the shear-slip failure zone were also quantitatively studied. It was shown that a larger permeability in caprock and base rock leads to a larger uplift but a smaller shear-slip failure zone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Advanced Modeling Fast Simulation Algorithms for Alternate Arm Converters

There is increasing interest in alternate arm converter (AAC) due to the fault-tolerant characteristics it could offer in high-voltage direct current (HVdc) systems. The simulation of AACs is important to assist with the design of hardware, control systems, and planning of power system expansions. However, simulation of AAC-HVdc using existing software takes a long time due to the presence of a large number of states and non-linear devices. An ultra-fast single-or multi-CPU simulation algorithm to simulate the AAC-HVdc system based on state-space models and using hybrid discretization algorithm with a relaxation technique that reduces the imposed computational burden is presented in this paper. The developed algorithm is validated with respect to reference PSCAD/EMTDC model.

Debnath, Suman↗
DOE OSTI2013

Verification of particle simulation of radio frequency waves in fusion plasmas

Radio frequency (RF) waves can offer heating, current and flow drive, as well as instability control for steady state operations of fusion experiments. A particle simulation model has been designed in this work to provide a first-principles tool for studying the RF nonlinear interactions with plasmas. In this model, ions are considered as fully kinetic particles using the Vlasov equation and electrons are treated as guiding centers using the drift kinetic equation. This model has been implemented in a global gyrokinetic toroidal code using real electron-to-ion mass ratio. To confirm the model, linear simulations of ion plasma oscillation, ion Bernstein wave, and lower hybrid wave are carried out in cylindrical geometry and found to agree well with analytic predictions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Analytical modeling and numerical simulation of the short-wave infrared electron-injection detectors

This paper describes comprehensive analytical and simulation models for the design and optimization of the electron-injection based detectors. The electron-injection detectors evaluated here operate in the short-wave infrared range and utilize a type-II band alignment in InP/GaAsSb/InGaAs material system. The unique geometry of detectors along with an inherent negative-feedback mechanism in the device allows for achieving high internal avalanche-free amplifications without any excess noise. Physics-based closed-form analytical models are derived for the detector rise time and dark current. Our optical gain model takes into account the drop in the optical gain at high optical power levels. Furthermore, numerical simulation studies of the electrical characteristics of the device show good agreement with our analytical models as well experimental data. Performance comparison between devices with different injector sizes shows that enhancement in the gain and speed is anticipated by reducing the injector size. Sensitivity analysis for the key detector parameters shows the relative importance of each parameter. The results of this study may provide useful information and guidelines for development of future electron-injection based detectors as well as other heterojunction photodetectors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Quantifying CO 2 storage efficiency factors in hydrocarbon reservoirs. A detailed look at CO 2 Enhanced Oil Recovery

Carbon dioxide (CO 2 ) enhanced oil recovery (EOR) will likely be the primary means of geologic CO 2 storage during the early stages of commercial-scale carbon capture and storage (CCS) because of the inherent economic incentives as well as the abundant experience and demonstrated success in the United States, where CO 2 EOR has been employed since 1974. The work presented here estimates CO 2 storage efficiency factors in CO 2 EOR operations using a unique industry database of CO 2 EOR sites and 12 different reservoir simulation models. The simulation models encompass fluvial clastic and shallow shelf carbonate depositional environments for reservoir depths of 1219 and 2438 m (4000 and 8000 feet) and 7.6-, 20-, and 64-m (25-, 66-, and 209-foot)-thick pay zones. A novel statistical modeling technique incorporating the Michaelis–Menten function is used to generate empirical percentile estimates of CO 2 storage efficiency factors. West Texas San Andres dolomite water alternating gas (WAG) CO 2 flood performance data were used to derive P10, P50, and P90 CO 2 storage efficiency factors of 0.76, 1.28, and 1.74 Mscf/STB (stock tank barrel) of original oil in place. Median CO 2 storage efficiency factors from continuous CO 2 injection following conventional waterflood varied from 15% to 61% and 8% to 40% for fluvial clastic and shallow shelf carbonate simulation models, respectively, while those from WAG injection varied from 14% to 42% and 8% to 31%, respectively. Variation in the CO 2 storage efficiency factors was largely attributable to reservoir depth (a surrogate for reservoir pressure and temperature) and lithology (clastic versus carbonate). The results of this work provide practical information that can be used to quantify CO 2 storage resource estimates in oil reservoirs during CO 2 EOR operations (as opposed to storage following depletion) and the uncertainty associated with those estimates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Advanced Modeling and Simulation Methods for Evaluation of Thermal Neutron Scattering Materials

With the rise of interest in thermal neutron scattering data for advanced reactor, criticality safety, and shielding applications, new experimental data are required for evaluation of new materials or for re-evaluation (or validations) of previously evaluated materials. New experimental data are evaluated in a three-step process: (1) computing the phonon characteristics, (2) computing the dynamic structure factor (DSF) from the data, and (3) using the experimental setup to simulate the experimental data. All three steps have challenges, ranging from the need for a sufficiently general material simulation code—a processing code that can compute the corresponding DSF—to having a detailed layout of the instrument/beamline/facility where the data were measured. Whereas phonon characteristics of materials can be computed using various methods (molecular dynamics, density functional theory, etc.), a high-fidelity computation of the DSF and the simulation of the experiment based on the DSF is vital to the accuracy of the evaluation. The latter two steps can be achieved by using the two corresponding code systems developed by instrument scientists at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory: (1) OCLIMAX, a program that calculates the dynamic structure factor from DFT and MD simulation results, and (2) MCViNE, a Monte Carlo neutron ray-tracing program designed to simulate neutron scattering experiments. Recently, polyethylene and yttrium hydride were measured at the Wide Angular-Range Chopper (ARCS) and SEQUOIA instrument stations of the SNS. These experiments are simulated using the density functional theory code, the Cambridge Serial Total Energy Package (CASTEP), to compute its phonon characteristics (eigenvalues/vectors and PDOS), which is then processed using OCLIMAX to yield the DSF, and finally the data at each instrument station are simulated by the MCViNE for comparison to the measured data for evaluation. For comparison to conventional evaluation methods, the scattering data processed from OCLIMAX are compared against those processed from the LEAPR module of NJOY, and the results from MCViNE simulations are compared against previously used simplified beamline models implemented in the Monte Carlo N-Particle (MCNP) code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗