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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 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Analytical modeling and simulation of electrical contact resistance for elastic rough electrode surface contact including frictional temperature rise

An improved electrical contact resistance (ECR) model for elastic rough electrode contact is proposed, incorporating the effects of asperity interactions and temperature rise by frictional and joule heating. The analytical simulation results show that the ECR decreases steeply at the beginning of the contact between Al and Cu. However, it becomes stabilized after reaching a specific contact force. It is also found that the longer elapsed sliding contact time, the higher ECR due to the increase in electrical resistivity of electrode materials by the frictional temperature rise at the interface. The effects of surface roughness parameters on ECR are studied through the 3 2 full-factorial design-of-experiment analysis. Based on the two representative roughness parameters, i.e., root-mean-square (rms) roughness and asperity radius, their individual and coupled effects on the saturated ECR are examined. The saturated ECR increases with the rms roughness for a rough machined surface condition, but it is hardly affected by the asperity radius. On the other hand, the saturated ECR increases with both the rms roughness and the asperity radius under a smooth thin film surface condition.

42 ENGINEERING↗
DOE OSTI2018

Experimental characterization and modeling of optical tweezer particle handling dynamics [Modeling and Simulation of Optical Tweezer Particle Handling Dynamics]

Here, we report a new framework for a quantitative understanding of optical trapping (OT) particle handling dynamics. We present a novel three-dimensional particle-based model that includes optical, hydrodynamic, and inter-particle forces. This semi-empirical colloid model is based on an open-source simulation code known as LAMMPS (large-scale atomic/molecular massively parallel simulator) and properly recapitulates the full OT force profile beyond the typical linear approximations valid near the trap center. Simulations are carried out with typical system parameters relevant for our experimental holographic optical trapping (HOT) system, including varied particle sizes, trap movement speeds, and beam powers. Furthermore, we present a new experimental method for measuring both the stable and metastable boundaries of the optical force profile to inform or validate the model’s underlying force profile. We show that our framework is a powerful tool for accurately predicting particle behavior in a practical experimental OT setup and can be used to characterize and predict particle handling dynamics within any arbitrary OT force profile.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Probabilistic modeling for simulation of aerodynamic uncertainties in propulsion systems

The numerical simulation of the probabilistic aerothermodynamic response of propulsion system components to randomness in their environment was explored. The reusable rocket engine turbopumps were selected as an example because of the severe cryogenic environment in which they operate. The thermal and combustion instabilities, coupled with the engine thrust requirements from start up to shut down, lead to randomness in the flow variables and uncertainties in the aerodynamic loading. The probabilistic modeling of the turbopumps aerodynamic response was accomplished using the panel method coupled with fast probability integration methods. The aerodynamic response in the form of probabilistic rotor blades and splitter loading were predicted and the results presented for specified flow coefficient and rotor preswirl variance. Possible future applications of the aerothermodynamic probabilistic modeling in engine transient simulation, condition monitoring and engine life prediction are briefly discussed.

Hamed, Awatef↗
NASA NTRS1990

Probabilistic modeling for simulation of aerodynamic uncertainties in propulsion systems

The numerical simulation of the probabilistic aerothermodynamic response of propulsion system components to randomness in their environment was explored. The reusable rocket engine turbopumps were selected as an example because of the severe cryogenic environment in which they operate. The thermal and combustion instabilities, coupled with the engine thrust requirements from start up to shut down, lead to randomness in the flow variables and uncertainties in the aerosynamic loading. The probabilistic modeling of the turbopumps' aerodynamic response was accomplished using the panel method coupled with fast probability integration methods. The aerodynamic response in the form of probabilistic rotor blades and splitter loading were predicted and the results presented for specified flow coefficient and rotor preswirl variance. Possible future applications of the aerothermodynamic probabilistic modeling in engine transient simulation, condition monitoring, and engine life prediction are briefly discussed.

Hamed, A.↗
DOE OSTI2013

Westinghouse waste simulation and optimization software tool

Applications for dynamic simulation can be found in virtually all areas of process engineering. The tangible benefits of using dynamic simulation can be seen in tighter design, smoother start-ups and optimized operation. Thus, proper implementation of dynamic simulation can deliver substantial benefits. These benefits are typically derived from improved process understanding. Simulation gives confidence in evidence based decisions and enables users to try out lots of 'what if' scenarios until one is sure that a decision is the right one. In radioactive waste treatment tasks different kinds of waste with different volumes and properties have to be treated, e.g. from NPP operation or D and D activities. Finding a commercially and technically optimized waste treatment concept is a time consuming and difficult task. The Westinghouse Waste Simulation and Optimization Software Tool will enable the user to quickly generate reliable simulation models of various process applications based on equipment modules. These modules can be built with ease and be integrated into the simulation model. This capability ensures that this tool is applicable to typical waste treatment tasks. The identified waste streams and the selected treatment methods are the basis of the simulation and optimization software. After implementing suitable equipment data into the model, process requirements and waste treatment data are fed into the simulation to finally generate primary simulation results. A sensitivity analysis of automated optimization features of the software generates the lowest possible lifecycle cost for the simulated waste stream. In combination with proven waste management equipments and integrated waste management solutions, this tool provides reliable qualitative results that lead to an effective planning and minimizes the total project planning risk of any waste management activity. It is thus the ideal tool for designing a waste treatment facility in an optimum manner, taking account of the detailed waste stream and specific requirements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Modeling and simulations of hydrodynamic shocks in a plasma flowing across randomized ICF scale laser beams

High-energy laser beams interacting with flowing plasmas can produce a plasma response that leads to deflection of the beam, beam bending. Such beams have usually a speckle structure generated by optical smoothing techniques that reduce the spatial and temporal coherence in the laser field pattern. The cumulative plasma response from laser speckles slows down the velocity of the incoming flow by momentum conservation. For slightly super-sonic flow the cumulative plasma response to the ponderomotive force exerted by the beam speckle ensemble is the strongest, such that slowing down the flow to subsonic velocities leads eventually to the generation of a shock around the cross section of the beam. This scenario has been predicted theoretically and is confirmed here by our hydrodynamic simulations in two dimensions with speckled beams and in one dimension with a reduced model. The conditions of shock generation are given in terms of the ponderomotive pressure, speckle size and the flow velocity. The nonlinear properties of the shocks are analyzed using Rankine–Hugoniot relations. According to linear theory, temporally smoothed laser beams exhibit a higher threshold for shock generation. Numerical simulations with beams that are smoothed by spectral dispersion compare well with the linear theory results, diverging from those produced by beams with only a random phase plates in the nonlinear regime. The conditions necessary for shock generation and their effects on the laser plasma coupling in inertial confinement fusion (ICF) experiments are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Validation of cloud forcing simulated by the National Center for Atmospheric Research Community Climate Model using observations from the Earth Radiation Budget Experiment

Satellite measurements of the effect of clouds on the top of atmosphere radiative energy budget are used to validate model simulations from the National Center for Atmospheric Research Community Climate Model (NCAR CCM). The ability of the NCAR CCM to reproduce the monthly mean global distribution and temporal variability on both daily and seasonal time scales is assessed. The comparison reveals several deficiencies in the CCM cloud representation. Most notable are the difficulties in properly simulating the effect of clouds on the planetary albedo. This problem arises from discrepancies in the model's portrayal of low-level cloudiness and leads to significant errors in the absorbed solar radiation simulated by the model. The CCM performs much better in simulating the effect of clouds on the longwave radiation emitted to space, indicating its relative success in capturing the vertical distribution of cloudiness. The daily variability of the radiative effects of clouds in both the shortwave and longwave spectral regions is systematically overestimated. Analysis of the seasonal variations illustrates a distinct lack of coupling in the seasonal changes in the radiative effects of cloudiness between the tropics and mid-latitudes and between the Northern and Southern Hemisphere. Much of this problem also arises from difficulties in simulating low-level cloudiness, placing further emphasis on the need for better model parameterizations of boundary layer clouds.

Soden, B. J.↗
DOE OSTI2019

Recrystallization and Grain Growth Simulations for Multiple-Pass Rolling and Annealing of U-10Mo

A simulation model of recrystallization and grain growth has been developed to investigate grain structure evolution during deformation and heat treatment in polycrystalline U-10wt% Mo (U-10Mo) fuel. Experimentally obtained U-10Mo microstructures were used as input for closed loop simulations of multiple rolling, intermediate heating and final annealing process. FEM calculations of deformation and Potts Model simulations of recrystallization and grain growth were used to iteratively inform each subsequent stage of simulation. Furthermore, the model was then applied to predict the grain structure evolution during multiple-pass hot rolling of U-10Mo, and benchmarked against experimentally observed U-10Mo recrystallization behavior. The results showed that our model was able to capture the coupling between deformation and recrystallization as a function of microstructure, including particle stimulated nucleation and recrystallization nucleation on grain boundaries. Additionally, we have achieved reasonable quantitative agreement with U-10Mo recrystallization and grain growth behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Development of a Stochastic Infiltration Model for PPA Implementation - 19293

Performance Assessment models often require inputs representing specific hydrologic processes and properties such as infiltration, water content, groundwater flow rate, streamflow, and sediment flux. This paper details the development of a process-level infiltration model and its use in a Probabilistic Performance Assessment (PPA) model for the West Valley Site in western New York. Additionally, this paper demonstrates a method for obtaining distributions of the long-term average hydrologic processes and properties for a PA model. For this PPA, an infiltration model was developed using HELP (Hydrologic Evaluation of Landfill Performance) to evaluate the rates of infiltration, percolation, and drainage through several site soil and proposed decommissioning cover systems, as well as the volumetric water contents of each of the unsaturated layers in a modeled soil column. A particular challenge of probabilistic modeling over long periods of time is scaling parameters appropriately so that outcomes are not grossly over- or underestimated. For these models, distributions of climatic parameters such as average precipitation rate, temperature, wind speed, humidity, and solar radiation were scaled to 1000-year averages and were used to force steady-state models that predict 1000-year average infiltration rates, drainage rates, and water contents. For the HELP model, distributions were developed for the physical and hydrologic properties of each material in a given soil column or cover system, and these properties were allowed to vary stochastically along with climatic inputs. The HELP model was run 5000 times for each of seven different soil and cover systems representing various existing and proposed conditions (i.e. native soil, backfill, existing covers, and a proposed close-in-place cover). The results of the HELP model provide ranges of 1000-year average infiltration rates, drainage rates, and water contents through and within the various layers of each of the different soil and cover conditions. The model outcomes also demonstrate the effectiveness of a proposed close-in-place cover, which essentially eliminates infiltration during its operational lifetime. Following model simulation, a sensitivity analysis was performed to establish the relative importance of each stochastic input with respect to each output. The outcomes of the model simulations and the sensitivity analysis were implemented into a system-level GoldSim model via a novel sensitivity-informed nearest neighbor approach. These infiltration rates, drainage rates, and water contents are used to parameterize mixing cells within the GoldSim Contaminant Transport module, which is the primary system-level model used in the PPA. The infiltration rates are also used as boundary conditions for a stochastic groundwater flow model that is also utilized in the PPA, but not discussed in this paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1998

Computational Nonlinear of Vertical-Cavity Surface-Emitting Lasers

Vertical-Cavity Surface-Emitting Lasers (VCSELs) have become increasingly important for many applications, such as optical interconnects and optical data storages. In many applications, critical requirements are very often high beam quality and/or high output powers. To help the design and optimization of VCSELs for such applications, it is essential to have a simulation model that includes the time evolution of the transverse space dependence of the beam. Such models allow arbitrary transverse profiles of laser intensity or carrier density to develop in time without any a priori assumption about the number and types of transverse modes. In addition, extensive research in the past has shown that many-body effects are important in influencing the optical gain and the refractive index of semiconductor quantum wells. It is thus important to include the key many-body effects in simulation models for semiconductor lasers. A computational model, called the Maxwell-Effective Bloch Equations (MEBE) was developed recently that simulates the above features and effects. This model combines the space-time resolution with microscopic many-body effects in a way that is both accurate enough and computationally manageable. This model has been used to simulate edge-emitting high power lasers recently. A new finite-difference algorithm has been developed for solving these equations and will be shown in the presentation. That algorithm will be used to calculate the detailed time evolution of the transverse mode profiles of VCSELs. The VCSELs are based on InGaAs/GaAs quantum well structures. Effects of pumping current and refractive index profiles will be investigated in detail. The simulation results will be compared with other results the use the rate-equation model.

Goorjian, Peter M.↗
NASA NTRS2019

TPSAS-NF1676L-34010-DND

We invert global black carbon (BC), organic carbon (OC) and desert dust (DD) aerosol emissions from POLDER/PARASOL spectral aerosol optical depth (AOD) and aerosol absorption optical depth (AAOD) using the GEOSChem inverse modelling framework. Our inverse modeling framework uses standard a priori emissions to provide a posteriori emissions that are constrained by POLDER/PARASOL AODs and AAODs. Our satellite-derived global aerosol emission database indicates an increase of BC and OC, while a decrease of DD with respect to the a priori emission inventories used in standard GEOS-Chem runs. The model simulations using a posteriori emissions (i.e. retrieved emissions) provide new estimate of global aerosol extinction and absorption constrained by observations. Additionally, the a posteriori model simulation of AOD, AAOD, single scattering albedo, Angstrom exponent, and absorption Angstrom exponent show better agreement with independent AERONET, MODIS, and OMI measurements than the a priori simulation. Thus, this study suggests that using satellite-constrained global aerosol emissions in aerosol transport models can improve the accuracy of simulated global aerosol properties and have potential to better understanding global aerosol effects on climate and human health.

Cheng Chen↗
DOE OSTI2021

An HPC-Based Hydrothermal Finite Element Simulator for Modeling Underground Response to Community-Scale Geothermal Energy Production

Geothermal heat, as renewable energy, shows great advantage with respect to its environmental impact due to its significantly lower CO2 emissions than conventional fossil fuel. Open and closed-loop geothermal heat pumps, which utilize shallow geothermal systems, are an efficient technology for cooling and heating buildings, especially in urban areas. Integrated use of geothermal energy technologies for district heating, cooling, and thermal energy storage can be applied to optimize the subsurface for communities to provide them with multiple sustainable energy and community resilience benefits. The utilization of the subsurface resources may lead to a variation in the underground environment, which might further impact local environmental conditions. However, very few simulators can handle such a highly complex set of coupled computations on a regional or city scale. We have developed high-performance computing (HPC) based hydrothermal finite element (FE) simulator that can simulate the subsurface and its hydrothermal conditions at a scale of tens of km. The HPC simulator enables us to investigate the subsurface thermal and hydrologic response to the built underground environment (such as basements and subways) at the community scale. In this study, a coupled hydrothermal simulator is developed based on the open-source finite element library deal.II. The HPC simulator was validated by comparing the results of a benchmark case study against COMSOL Multiphysics, in which Aquifer Thermal Energy Storage (ATES) is modeled and a process of heat injection into ATES is simulated. The use of an energy pile system at the Treasure Island redevelopment site (San Francisco, CA, USA) was selected as a case study to demonstrate the HPC capability of the developed simulator. The simulator is capable of modeling multiple city-scale geothermal scenarios in a reasonable amount of time.

Sun, Xiang↗
NASA NTRS1992

Modeling and simulation of mobile satellite propagation

Mobile satellite systems are subject to severe fading due to blockage of the line-of-sight (LOS) path by roadside vegetation. A thorough understanding of the fading effects is necessary for the design of a reliable land mobile satellite system (LMSS). Analytical and empirical models are presented for predicting fade statistics for vegetative shadowing of mobile satellite terminals. A software simulator for generating simulated fade data is also presented. A physical model relating physical path parameters to propagation model parameters is presented, and results using the model are shown.

Barts, R. M.↗
DOE OSTI2026

Neutral beams for the burning plasma era: Simulations and modeling of deuterium ion beams for plasma heating (CRADA Final Report)

Together with Realta Fusion, we set up several simulation scenarios and ran simulations using the WarpX code which is developed by LBNL and especially by members of the LBNL team. We investigated beam transport and beam neutralization and ran optimization and benchmark simulations. To achieve this, several new features were added to the warpX code. These code additions will also be beneficial to other users of warpX including several fusion companies and researchers at National Laboratories. Furthermore, we supported Realta Fusion in setting up their own instances of WarpX. We presented our results at the American Physical Society Division of Plasma Physics meeting and are in the process of writing a publication that will be submitted to a peer-reviewed journal to share our results with the broader community.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Toward Multi-scale Modeling and simulation of conduction in heterogeneous materials

This report summarizes a project in which the authors sought to develop and deploy: (i) experimental techniques to elucidate the complex, multiscale nature of thermal transport in particle-based materials; and (ii) modeling approaches to address current challenges in predicting performance variability of materials (e.g., identifying and characterizing physical- chemical processes and their couplings across multiple length and time scales, modeling information transfer between scales, and statically and dynamically resolving material structure and its evolution during manufacturing and device performance). Experimentally, several capabilities were successfully advanced. As discussed in Chapter 2 a flash diffusivity capability for measuring homogeneous thermal conductivity of pyrotechnic powders (and beyond) was advanced; leading to enhanced characterization of pyrotechnic materials and properties impacting component development. Chapter 4 describes success for the first time, although preliminary, in resolving thermal fields at speeds and spatial scales relevant to energetic components. Chapter 7 summarizes the first ever (as far as the authors know) application of TDTR to actual pyrotechnic materials. This is the first attempt to actually characterize these materials at the interfacial scale. On the modeling side, new capabilities in image processing of experimental microstructures and direct numerical simulation on complicated structures were advanced (see Chapters 3 and 5). In addition, modeling work described in Chapter 8 led to improved prediction of interface thermal conductance from first principles calculations. Toward the second point, for a model system of packed particles, significant headway was made in implementing numerical algorithms and collecting data to justify the approach in terms of highlighting the phenomena at play and pointing the way forward in developing and informing the kind of modeling approach originally envisioned (see Chapter 6). In both cases much more remains to be accomplished.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses

A density functional theory (DFT)-based ab initio molecular dynamics (AIMD) has been applied to simulate models of single and mixed alkali silicate glasses with two different molar concentrations of alkali oxides. The structural environments and spatial distributions of alkali ions in the 10 simulated models with 20% and 30% of Li, Na, K and equal proportions of Li–Na and Na–K are studied in detail for subtle variations among the models. Quantum mechanical calculations of electronic structures, interatomic bonding, and mechanical and optical properties are carried out for each of the models, and the results are compared with available experimental observation and other simulations. The calculated findings are in good agreement with the experimental data. We have used the novel concept of using the total bond order density (TBOD), a quantum mechanical metric, to characterize internal cohesion in these glass models. The mixed alkali effect (MAE) is visible in the bulk mechanical properties but not obvious in other physical properties studied in this paper. We demonstrate that Li doping deviates from expected trend due to the much stronger Li–O bonding than those of Na and K doping. Our method is in contrast with current studies in alkali-doped silicate glasses based only on geometric characterizations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Three-dimensional modeling and simulations of single-crystal and bi-crystal titanium for high-strain-rate loading conditions

High purity single crystal titanium (Ti) under shock wave loading is modeled under both one-dimensional and three-dimensional cylindrical conditions. Cylinder sizes of 10 μm and 20 μm radius are both considered in order to assess influence of boundary conditions. A thermodynamically consistent single crystal model for application to shock conditions is presented. The model accounts for the coupled non-linear elastic, dislocation slip, deformation twinning, and structural phase transformation response of the titanium material. Plate impact experiment results using a copper flyer are used to compare against the simulations for crystals oriented in [0001] and [10$\overline1$1] crystallographic directions. The one-dimensional and threedimensional simulations of the two differently oriented single crystals indicate differences between the one-dimensional and three-dimensional representation, especially for the [10$\overline1$1] oriented single crystal. This orientation breaks the relative orientation symmetry between the crystal and cylinder which otherwise exists for the [0001] oriented single crystal. A significant amount of heterogeneity in the field response of the[10$\overline1$1] oriented simulation was demonstrated due to the highly coupled nature of the deformation. A bi-crystal model composed of both the [0001] and [10$\overline1$1] orientations with the boundary between the two along the axis of the cylinder is also considered for a cylinder model size of 10 μm. The results indicate a strong interaction between the two grains that affects the ω phase volume fraction achieved relative to the single crystal calculations.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Modeling and Simulation of Reliability & Maintainability Parameters for Reusable Launch Vehicles using Design of Experiments

This paper describes the development of a methodology for estimating reliability and maintainability distribution parameters for a reusable launch vehicle. A disciplinary analysis code and experimental designs are used to construct approximation models for performance characteristics. These models are then used in a simulation study to estimate performance characteristic distributions efficiently. The effectiveness and limitations of the developed methodology for launch vehicle operations simulations are also discussed.

Unal, Resit↗

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