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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

THREE-DIMENSIONAL CORE-COLLAPSE SUPERNOVA SIMULATED USING A 15 M{sub ⊙} PROGENITOR

We have performed ab initio neutrino radiation hydrodynamics simulations in three and two spatial dimensions (3D and 2D) of core-collapse supernovae from the same 15 M{sub ☉} progenitor through 440 ms after core bounce. Both 3D and 2D models achieve explosions; however, the onset of explosion (shock revival) is delayed by ∼100 ms in 3D relative to the 2D counterpart and the growth of the diagnostic explosion energy is slower. This is consistent with previously reported 3D simulations utilizing iron-core progenitors with dense mantles. In the ∼100 ms before the onset of explosion, diagnostics of neutrino heating and turbulent kinetic energy favor earlier explosion in 2D. During the delay, the angular scale of convective plumes reaching the shock surface grows and explosion in 3D is ultimately lead by a single, large-angle plume, giving the expanding shock a directional orientation not dissimilar from those imposed by axial symmetry in 2D simulations. We posit that shock revival and explosion in the 3D simulation may be delayed until sufficiently large plumes form, whereas such plumes form more rapidly in 2D, permitting earlier explosions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dark Energy Survey Year 3 results: Cosmology from combined galaxy clustering and lensing validation on cosmological simulations

In this work, we present a validation of the Dark Energy Survey Year 3 (DES Y3) 3×2-point analysis choices by testing them on Buzzard2.0, a new suite of cosmological simulations that is tailored for the testing and validation of combined galaxy clustering and weak-lensing analyses. We show that the buzzard2.0 simulations accurately reproduce many important aspects of the DES Y3 data, including photometric redshift and magnitude distributions, and the relevant set of two-point clustering and weak-lensing statistics. We then show that our model for the 3×2-point data vector is accurate enough to recover the true cosmology in simulated surveys assuming the true redshift distributions for our source and lens samples, demonstrating robustness to uncertainties in the modeling of the nonlinear matter power spectrum, nonlinear galaxy bias, and higher-order lensing corrections. Additionally, we demonstrate for the first time that our photometric redshift calibration methodology, including information from photometry, spectroscopy, clustering cross-correlations, and galaxy–galaxy lensing ratios, is accurate enough to recover the true cosmology in simulated surveys in the presence of realistic photometric redshift uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Finite Element Simulation and X-Ray Microdiffraction Study of Strain Partitioning in a Layered Nanocomposite

The depth-dependent strain partitioning across the interfaces in the growth direction of the NiAl/Cr(Mo) nanocomposite between the Cr and NiAl lamellae was directly measured experimentally and simulated using a finite element method (FEM). Depth-resolved X-ray microdiffraction demonstrated that in the as-grown state both Cr and NiAl lamellae grow along the 111 direction with the formation of as-grown distinct residual ~0.16% compressive strains for Cr lamellae and ~0.05% tensile strains for NiAl lamellae. Three-dimensional simulations were carried out using an implicit FEM. First simulation was designed to study residual strains in the composite due to cooling resulting in formation of crystals. Strains in the growth direction were computed and compared to those obtained from the microdiffraction experiments. Second simulation was conducted to understand the combined strains resulting from cooling and mechanical indentation of the composite. Numerical results in the growth direction of crystal were compared to experimental results confirming the experimentally observed trends.

Barabash, R. I.↗
DOE OSTI2017

Self-consistent Modeling of Reionization in Cosmological Hydrodynamical Simulations

The ultraviolet background (UVB) emitted by quasars and galaxies governs the ionization and thermal state of the intergalactic medium (IGM), regulates the formation of high-redshift galaxies, and is thus a key quantity for modeling cosmic reionization. The vast majority of cosmological hydrodynamical simulations implement the UVB via a set of spatially uniform photoionization and photoheating rates derived from UVB synthesis models. We show that simulations using canonical UVB rates reionize and, perhaps more importantly, spuriously heat the IGM, much earlier (z∼15) than they should. This problem arises because at z>6, where observational constraints are nonexistent, the UVB amplitude is far too high. We introduce a new methodology to remedy this issue, and we generate self-consistent photoionization and photoheating rates to model any chosen reionization history. Following this approach, we run a suite of hydrodynamical simulations of different reionization scenarios and explore the impact of the timing of reionization and its concomitant heat injection on the thermal state of the IGM. We present a comprehensive study of the pressure smoothing scale of IGM gas, illustrating its dependence on the details of both hydrogen and helium reionization, and argue that it plays a fundamental role in interpreting Lyα forest statistics and the thermal evolution of the IGM. The premature IGM heating we have uncovered implies that previous work has likely dramatically overestimated the impact of photoionization feedback on galaxy formation, which sets the minimum halo mass able to form stars at high redshifts. We make our new UVB photoionization and photoheating rates publicly available for use in future simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Simulation of Dynamic Crushing Behavior of Simulated Carbon/Epoxy Stanchions Using MAT58 and MAT213 in LS-DYNA

Carbon fiber-reinforced polymer (CFRP) composites have shown promise as a material for structures designed to absorb energy in crush-style impact loading. In complementing the lightweight and tailorable characteristics of CFRP structures, the benefits of impact energy absorption are particularly interesting in aerospace vehicles that require excellent crashworthiness performance. However, simulating the behavior of CFRP structures in dynamic, crushing-style impact loading is challenging because of the many damage and failure modes that are essential to capture in the model. For the present investigation, CFRP stanchions were tested using a crash sled experimental test rig. The stanchions were designed by the Composite Materials Handbook-17 (CMH-17) Crashworthiness Working Group for the purpose of comparing experimental crash sled tests to corresponding simulations of the tests. The stanchions are C-channel shaped and represent a geometry common in the interior of aerospace vehicle structures. Explicit simulations in LSDYNA were performed using a well-established composite material model (MAT58) and a next-generation material model (MAT213). Fully integrated shell elements were utilized instead of 3D solid elements to limit computation time. In all models, each of the sixteen plies were represented with individual layers of shell elements with tiebreak contact between each adjacent ply pair to simulate interlaminar fracture. Simulating the crushing of the stanchions occurred in two phases. First, the material models were calibrated using flat specimens that were manufactured with the same layup as the stanchions. While the original goal was calibration of material-related properties, meshdependent behavior was observed in simulations with either material model, and an unstructured mesh was selected to remediate undesirable mesh-dependent failure modes. Additionally, for both the MAT58 and MAT213 models, it was found that either the crush force or the failure mode could be modeled accurately, but no set of parameters could be identified to attain both results in the same model. Once satisfactory calibration was achieved, the same material parameters were applied to the stanchion crush simulations. The stanchion simulations showed that MAT213 more accurately predicted the experimentally determined crush force, and both material models predicted key aspects of the experimentally observed failure modes.

Composite Materials↗
DOE OSTI2012

Monte Carlo Simulations of the Dissolution of Borosilicate Glasses in Near-Equilibrium Conditions

Monte Carlo simulations were performed to investigate the mechanisms of glass dissolution as equilibrium conditions are approached in both static and flow-through conditions. The glasses studied are borosilicate glasses in the compositional range (80-x)% SiO2 (10+x/2)% B2O3 (10+x/2)% Na2O, where 5 < x < 30%. In static conditions, dissolution/condensation reactions lead to the formation, for all compositions studied, of a blocking layer composed of polymerized Si sites with principally 4 connections to nearest Si sites. This layer forms atop the altered glass layer and shows similar composition and density for all glass compositions considered. In flow-through conditions, three main dissolution regimes are observed: at high flow rates, the dissolving glass exhibits a thin alteration layer and congruent dissolution; at low flow rates, a blocking layer is formed as in static conditions but the simulations show that water can occasionally break through the blocking layer causing the corrosion process to resume; and, at intermediate flow rates, the glasses dissolve incongruently with an increasingly deepening altered layer. The simulation results suggest that, in geological disposal environments, small perturbations or slow flows could be enough to prevent the formation of a permanent blocking layer.

borosilicate glasses↗
DOE OSTI2013

Simulations of material mixing in laser-driven reshock experiments

We perform simulations of a laser-driven reshock experiment [Welser-Sherrill et al., High Energy Density Phys. (unpublished)] in the strong-shock high energy-density regime to better understand material mixing driven by the Richtmyer-Meshkov instability. Validation of the simulations is based on direct comparison of simulation and radiographic data. Simulations are also compared with published direct numerical simulation and the theory of homogeneous isotropic turbulence. Despite the fact that the flow is neither homogeneous, isotropic nor fully turbulent, there are local regions in which the flow demonstrates characteristics of homogeneous isotropic turbulence. We identify and isolate these regions by the presence of high levels of turbulent kinetic energy (TKE) and vorticity. After reshock, our analysis shows characteristics consistent with those of incompressible isotropic turbulence. Self-similarity and effective Reynolds number assessments suggest that the results are reasonably converged at the finest resolution. Our results show that in shock-driven transitional flows, turbulent features such as self-similarity and isotropy only fully develop once de-correlation, characteristic vorticity distributions, and integrated TKE, have decayed significantly. Finally, we use three-dimensional simulation results to test the performance of two-dimensional Reynolds-averaged Navier-Stokes simulations. In this context, we also test a presumed probability density function turbulent mixing model extensively used in combustion applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Distributed Macroscopic Traffic Simulation with Open Traffic Models

This paper presents OTM-MPI, an extension of the Open Traffic Models platform (OTM) for running macroscopic traffic simulations in high-performance computing environments. OTM-MPI represents the first open-source, distributed-memory, macroscopic simulation model developed for modern high performance parallel machines and large networks. Macroscopic simulations are appropriate for studying regional traffic scenarios when aggregate trends are of interest, rather than individual vehicle traces. They are also appropriate for studying the routing behavior of classes of vehicles, such as app-informed vehicles. The network partitioning was performed with METIS. Inter-process communication was done with MPI (message-passing interface). Results are provided for two networks: one realistic network which was obtained from Open Street Maps for Chattanooga, TN, and another larger synthetic grid network. The software recorded a speedups of 198x using 256 cores for Chattanooga, and 475x with 1,024 cores for the synthetic network.

macro-scopic traffic simulation↗
DOE OSTI2018

Simulated building energy demand biases resulting from the use of representative weather stations

Numerical building models are typically forced with weather data from a limited number of “representative cities” or weather stations representing different climate regions. The use of representative weather stations reduces computational costs, but often fails to capture spatial heterogeneity in weather that may be important for simulations aimed at understanding how building stocks respond to a changing climate. We quantify the potential reduction in bias from using an increasing number of weather stations over the western U.S. The approach is based on deriving temperature and load time series using incrementally more weather stations, ranging from 8 to roughly 150, to capture weather across different seasons. Using 8 stations, one from each climate zone, across the western U.S. results in an average absolute summertime temperature bias of 7.2°F with respect to a spatially-resolved gridded dataset. The mean absolute bias drops to 2.8°F using all available weather stations. Temperature biases of this magnitude could translate to absolute summertime mean simulated load biases as high as 13.8%, a significant error for capacity expansion planners who may use these types of simulations. Increasing the size of the domain over which biases are calculated reduces their magnitude as positive and negative biases may cancel out. Using 8 representative weather stations can lead to a 20-40% overestimation of peak building loads during both summer and winter. Using weather stations close to population centers reduces both mean and peak load biases. This approach could be used by others designing aggregate building simulations to understand the sensitivity to their choice of weather stations used to drive the models.

Burleyson, Casey D.↗
DOE OSTI2021

Higher-order particle representation for particle-in-cell simulations

In this paper we present an alternative approach to the representation of simulation particles for unstructured electrostatic and electromagnetic PIC simulations. In our modified PIC algorithm we represent particles as having a smooth shape function limited by some specified finite radius, r 0 . A unique feature of our approach is the representation of this shape by surrounding simulation particles with a set of virtual particles with delta shape, with fixed offsets and weights derived from Gaussian quadrature rules and the value of r 0 . As the virtual particles are purely computational, they provide the additional benefit of increasing the arithmetic intensity of traditionally memory bound particle kernels. The modified algorithm is implemented within Sandia National Laboratories' unstructured EMPIRE-PIC code, for electrostatic and electromagnetic simulations, using periodic boundary conditions. We show results for a representative set of benchmark problems, including electron orbit, a transverse electromagnetic wave propagating through a plasma, numerical heating, and a plasma slab expansion. In this work, good error reduction across all of the chosen problems is achieved as the particles are made progressively smoother, with the optimal particle radius appearing to be problem-dependent.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Macrovoid resolved simulations of transport through HPRO relevant membrane geometries

Modeling the transport properties such as diffusivity and permeability of high pressure reverse osmosis (HPRO) membranes is critical for the selection and manufacture of membranes suitable for operation under high pressure. These properties can be significantly affected by the changes in heterogeneous pore structures due to compaction. Here, the modeling platform presented in this work resolves the two scale porosity in HPRO relevant membranes. A synthetic membrane geometry is constructed based on available experimental visualizations of pore structures. The simulations directly capture the flow channeling that results from a combination of material properties and geometric features of the macrovoids. A parametric study is presented to account for the transition of flow characteristics from a material governed regime to a macrovoid governed regime. Permeability of the membrane is evaluated using the simulation data and compared with an existing model that scales with the square of tortuosity over a range of material properties. The model is found to perform well under a narrow range of tortuosity while deviating from the calculated permeabilities at extreme conditions. The effective permeability of the membrane is found to vary by at least two orders of magnitude between the two flow regimes. It is also observed that tortuosity is a bounded property with its upper limit determined by the macrovoid geometry. Consequently, the tortuosity based correlations fail near a flow regime that is mainly governed by the macrovoids. The modeled permeability can be more than an order of magnitude smaller than the simulation result. A new model based on flux-weighted porosity of a membrane is introduced and its correlation with tortuosity is studied. The model agrees with the simulated data as, in addition to tortuosity, it also accounts for the flux partition within and outside the flow channels. Such correlations enable extending the existing understanding of flow characteristics to enhance predictability of porous media models.

42 ENGINEERING↗
DOE OSTI2017

Standardization of accelerator irradiation procedures for simulation of neutron induced damage in reactor structural materials

Self-ion irradiation is widely used as a method to simulate neutron damage in reactor structural materials. Accelerator-based simulation of void swelling, however, introduces a number of neutron-atypical features which require careful data extraction and in some cases introduction of innovative irradiation techniques to alleviate these issues. We briefly summarize three such atypical features: defect imbalance effects, pulsed beam effects, and carbon contamination. The latter issue has just been recently recognized as being relevant to simulation of void swelling and is discussed here in greater detail. It is shown that carbon ions are entrained in the ion beam by Coulomb force drag and accelerated toward the target surface. Beam-contaminant interactions are modeled using molecular dynamics simulation. By applying a multiple beam deflection technique, carbon and other contaminants can be effectively filtered out, as demonstrated in an irradiation of HT-9 alloy by 3.5 MeV Fe ions.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Assessment of HRA method predictions against operating crew performance: Part II: Overall simulator data, HRA method predictions, and intra-method comparisons

This is the third in a series of four papers documenting two large-scale human reliability analysis (HRA) empirical studies – the International HRA Empirical Study and the US HRA Empirical Study. Here, the goal of the two studies was to develop an empirically-based understanding of the performance, strengths, and weaknesses of HRA methods by comparing HRA method predictions against actual operator performance in simulated accident scenarios on nuclear power plant (NPP) simulators. However, since in most cases only a single HRA team applied a given method in the International study, it was often difficult to separate analyst effects from variability in results related to the methods themselves. Since at least two HRA teams used each of the HRA methods in the US Study, intra-method comparisons were performed to identify method strengths and weaknesses independent of analyst specific effects where possible. This paper first summarizes the intra-method comparison results from the U.S. Study. Then, it discusses the reasons for the observed HRA predictive differences and the underlying methodological and guidance limitations that permitted the differences to arise. In the fourth paper, this information is combined wit h the results of the comparisons of method predictions to the actual crew data, from both the International and U.S. Studies, to develop the final conclusions about overall strengths and weaknesses of HRA methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Simulating a Mesoscale Convective System Using WRF with a New Spectral Bin Microphysics: Part 1: Hail vs Graupel

A modified Fast Spectral Bin Microphysics scheme (FSBM-2) embedded into the Weather Research and Forecasting Model (WRF) is used to simulate a mesoscale deep convective system observed during the Midlatitude Continental Convective Clouds Experiment (MC3E). FSBM-2 uses modified source codes as compared to the current FSBM (FSBM-1). In contrast to FSBM-1, FSBM-2 can simulate hail of several cm in diameter and includes additional processes such as spontaneous breakup of raindrops and aerosol regeneration by drop evaporation. It is shown that allowing large hail particles of diameters exceeding about 1 cm substantially increases the agreement between the simulated and observed squall-line structures both in the convective and stratiform regions. In contrast, if graupel particles are used to represent high-density hydrometeors in convective areas, the ratio of convective-to-stratiform areas diverges from the ratio seen in observations and maximum radar reflectivities are substantially underestimated. Analysis of snow size distributions in the stratiform area shows an important link between the ice crystals formed by homogeneous freezing in the convective area to ice particle number concentration in the stratiform region. Simulated raindrop size distributions in the stratiform area below the melting level from FSBM-2 show a good agreement with observations. The regeneration of CCN by droplet evaporation and detrainment of these CCN to the stratiform region increases the concentration of CCN there up to 8-9 km altitude; the additional CCN penetrate clouds and produce new droplets, leading to some convection intensification. Key words: Mesoscale convective systems (MCS), squall lines, spectral bin microphysics, large hail, in-cloud nucleation, size distributions of hydrometeors in MCS.

Shpund, Kobby↗
DOE OSTI2018

SQERT-T: alleviating kinetic Monte Carlo (KMC)-stiffness in transient KMC simulations [SQERT-T: Alleviating KMC-stiffness in Transient Kinetic Monte Carlo Simulations]

Lattice based kinetic Monte Carlo (KMC) is often used for simulating the dynamics of systems at a supramolecular scale, based on molecular scale transitions. A common challenge in KMC simulations is rapid 'back-and-forth' reactions, which dominate the events executed during simulations and inhibit the ability for simulations to reach longer time scales. Such processes are fast frivolous processes (FFPs) and are one manifestation of a phenomenon referred to as KMC-stiffness. Here, an algorithm for staggered quasi-equilibrium rank-based throttling geared towards transient kinetics (SQERT-T) is presented. Within the SQERT-T methodology, a pace-restrictor reaction and an FFP floor are utilized along with throttling of the process transition rate constants to accelerate the KMC simulations while still retaining sufficient time resolution for sampling of the data. KMC simulations were performed for CO oxidation over RuO 2 (1 1 0) and over RuO 2 (1 1 1), and the results were compared to experimental data obtained using RuO 2 powders. The experiments and simulations were for transient conditions: the system was subjected to a temperature program which included temperatures in the range of 363 to 453 K. Furthermore, the timescales that were achieved during the KMC simulations in this study would not have been accessible without KMC acceleration, and were enabled by the use of SQERT-T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Calibration and validation of a spar-type floating offshore wind turbine model using the FAST dynamic simulation tool

In this study, high-quality computer simulations are required when designing floating wind turbines because of the complex dynamic responses that are inherent with a high number of degrees of freedom and variable metocean conditions. In 2007, the FAST wind turbine simulation tool, developed and maintained by the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL), was expanded to include capabilities that are suitable for modeling floating offshore wind turbines. In an effort to validate FAST and other offshore wind energy modeling tools, DOE funded the DeepCwind project that tested three prototype floating wind turbines at 1/50 th scale in a wave basin, including a semisubmersible, a tension-leg platform, and a spar buoy. This paper describes the use of the results of the spar wave basin tests to calibrate and validate the FAST offshore floating simulation tool, and presents some initial results of simulated dynamic responses of the spar to several combinations of wind and sea states. Wave basin tests with the spar attached to a scale model of the NREL 5-megawatt reference wind turbine were performed at the Maritime Research Institute Netherlands under the DeepCwind project. This project included free-decay tests, tests with steady or turbulent wind and still water (both periodic and irregular waves with no wind), and combined wind/wave tests. The resulting data from the 1/50th model was scaled using Froude scaling to full size and used to calibrate and validate a full-size simulated model in FAST. Results of the model calibration and validation include successes, subtleties, and limitations of both wave basin testing and FAST modeling capabilities.

17 WIND ENERGY↗