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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Kelvin–Helmholtz instability under stabilizing parallel magnetic field in nonhomogeneous compressible MHD flows

We study the Kelvin–Helmholtz instability (KHI) for the general case of a compressible, nonhomogeneous, magnetized plasma flow. The study is limited to a vortex sheet interface with an imposed parallel magnetic field. We introduce a new formalism based on a convective Mach number M c , a convective Alfvénic Mach number M Ac , and a total convective Mach number that combines the two. We derive an analytic expression of the KHI growth rate for a homogeneous flow (i.e., zero Atwood number, A=0) that converges toward both the expression for unmagnetized compressible flow and Chandrasekhar's expression for magnetized incompressible flow. Otherwise, the dispersion relation is solved numerically and allows deriving general stability diagrams of magnetized KHI for the triplet (A, M c , β −plasma) parameters. We show these parameters uniquely define all configurations for a parallel magnetic field. We also construct diagrams with respect to the convective Alfvénic Mach number, the β − plasma parameter, or the magnetic field showing which magnetic field strength is required for stabilizing a given shear flow. The theoretical growth rates are compared with 18 simulations made with the GAMERA code, currently used for 3D magnetospheric simulations. Finally, we apply our results to the analysis of a past KHI experiment performed at the OMEGA laser facility, showing linear theory succeeds to provide accurate estimates of the growth rate at early times. We further discuss how our results can inform future experiments in the high-Mach magnetized regime at the National Ignition Facility. Possible limitations of the study due to resistive, mixing, or turbulence effects are discussed.

compressible flows↗
DOE OSTI2016

Nek5000 Large-Eddy Simulations for Thermal-Hydraulics of Deformed Wire-Wrap Fuel Assemblies

A well-characterized validation program has been defined for the thermal-hydraulic CFD modeling of 61-pin hexagonal packed fuel assemblies with helically wire-wrapped pins for both non-deformed beginning-of-life geometries and deformed later-in-life geometries typical of sodium-cooled fast reactors. The motivation for this work is the need to validate CFD codes to accurately model the flow and thermal performance of wire-wrapped fuel assemblies, particularly the deformed later-in-life bundles. The effect of pin and duct deformation is increasingly important as reactor designs look toward longer assembly lifetimes. As a part of a larger collaborative project with TerraPower, Texas A and M University (TAMU), and AREVA, this validation work consists of CFD simulations of four con-current experiments. Pre-test numerical simulations corresponding to each of the experiments has been conducted and are planned to be followed by post-test simulations that will incorporate test information as it becomes available to account for any as-built differences in geometry of test section and its specifications including the differences in boundary conditions of the actual tests. This paper focuses on Nek5000 LES results for the isothermal/TAMU undeformed configuration as a first step toward and initial conditions for the deformed isothermal/TAMU and/or conjugate heat transfer/AREVA cases. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Contribution of Electron Pressure to Ring Current and Ground Magnetic Depression Using RAM-SCB Simulations and Arase Observations During 7–8 November 2017 Magnetic Storm

Understanding the physical processes that control the dynamics of energetic particles in the inner magnetosphere is important for both space-borne and ground-based assets essential to the modern society. The storm time distribution of ring current particles in the inner magnetosphere depends strongly on their transport in the evolving electric and magnetic fields along with particle acceleration and loss. Here, we investigated the ring current particle variations using observations and simulations. We compared the ion (H + , He + , and O + ) and electron flux and plasma pressure variations from Arase observations with the self-consistent inner magnetosphere model: Ring current Atmosphere interactions Model with Self Consistent magnetic field (RAM-SCB) during the 7–8 November 2017 geomagnetic storm. We investigated the contribution of the different species (ions and electrons) to the magnetic field deformation observed at ground magnetic stations (09°–45° MLat) using RAM-SCB simulations. The results show that the ions are the major contributor with ~88% and electrons contribute ~12% to the total ring current pressure. It is also found that the electron contribution is non-negligible (~18%) to the ring current in dawn-side during the main phase of the storm. Thus, the electron contribution to the storm time ring current is important and should not be neglected.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

ASCR/HEP Exascale Requirements Review Report

This draft report summarizes and details the findings, results, and recommendations derived from the ASCR/HEP Exascale Requirements Review meeting held in June, 2015. The main conclusions are as follows. 1) Larger, more capable computing and data facilities are needed to support HEP science goals in all three frontiers: Energy, Intensity, and Cosmic. The expected scale of the demand at the 2025 timescale is at least two orders of magnitude -- and in some cases greater -- than that available currently. 2) The growth rate of data produced by simulations is overwhelming the current ability, of both facilities and researchers, to store and analyze it. Additional resources and new techniques for data analysis are urgently needed. 3) Data rates and volumes from HEP experimental facilities are also straining the ability to store and analyze large and complex data volumes. Appropriately configured leadership-class facilities can play a transformational role in enabling scientific discovery from these datasets. 4) A close integration of HPC simulation and data analysis will aid greatly in interpreting results from HEP experiments. Such an integration will minimize data movement and facilitate interdependent workflows. 5) Long-range planning between HEP and ASCR will be required to meet HEP's research needs. To best use ASCR HPC resources the experimental HEP program needs a) an established long-term plan for access to ASCR computational and data resources, b) an ability to map workflows onto HPC resources, c) the ability for ASCR facilities to accommodate workflows run by collaborations that can have thousands of individual members, d) to transition codes to the next-generation HPC platforms that will be available at ASCR facilities, e) to build up and train a workforce capable of developing and using simulations and analysis to support HEP scientific research on next-generation systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

ASCR/HEP Exascale Requirements Review Report

This draft report summarizes and details the findings, results, and recommendations derived from the ASCR/HEP Exascale Requirements Review meeting held in June, 2015. The main conclusions are as follows. 1) Larger, more capable computing and data facilities are needed to support HEP science goals in all three frontiers: Energy, Intensity, and Cosmic. The expected scale of the demand at the 2025 timescale is at least two orders of magnitude -- and in some cases greater -- than that available currently. 2) The growth rate of data produced by simulations is overwhelming the current ability, of both facilities and researchers, to store and analyze it. Additional resources and new techniques for data analysis are urgently needed. 3) Data rates and volumes from HEP experimental facilities are also straining the ability to store and analyze large and complex data volumes. Appropriately configured leadership-class facilities can play a transformational role in enabling scientific discovery from these datasets. 4) A close integration of HPC simulation and data analysis will aid greatly in interpreting results from HEP experiments. Such an integration will minimize data movement and facilitate interdependent workflows. 5) Long-range planning between HEP and ASCR will be required to meet HEP's research needs. To best use ASCR HPC resources the experimental HEP program needs a) an established long-term plan for access to ASCR computational and data resources, b) an ability to map workflows onto HPC resources, c) the ability for ASCR facilities to accommodate workflows run by collaborations that can have thousands of individual members, d) to transition codes to the next-generation HPC platforms that will be available at ASCR facilities, e) to build up and train a workforce capable of developing and using simulations and analysis to support HEP scientific research on next-generation systems.

Habib, Salman↗
DOE OSTI2015

Quantitative description of the properties of extended defects in silicon by means of electron- and laser-beam-induced currents

A solar cell on a wafer of multicrystalline silicon containing grain boundaries was studied by the induced-current method. The sample was scanned by an electron beam and by a laser beam at two wavelengths (980 and 635 nm). The recorded induced-current maps were aligned by means of a specially developed code, that enabled to analyze the same part of the grain boundary for three types of measurements. Optimization of the residual between simulated induced-current profiles and those obtained experimentally yielded quantitative estimates of the characteristics of a sample and its defects: the diffusion length of minority carriers and recombination velocity at the grain boundary.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Mitigation of Chromium Impurity Effects and Degradation in Solid Oxide Fuel Cells: The Roles of Reactive Transport and Thermodynamics

The principal objectives of this project were to understand the combined role of transport and thermodynamics in chromium poisoning of solid oxide fuel cell (SOFC) cathodes. Specifically, the differences in the chromium poisoning phenomena in predominantly electronic conducting cathodes such as strontium-doped lanthanum manganite (LSM) and mixed conducting cathodes such as strontium-doped lanthanum ferrite (LSF) and lanthanum nickelate (LNO) have been experimentally elucidated. The voltage-current density curves obtained from single cells featuring these cathode materials in the presence of chromium impurity have been analyzed using a suitable electrochemical model. The results clearly show the higher chromium tolerance of LSF and LNO cathodes compared to LSM cathodes. Further, dense protective coatings of copper-manganese spinel oxide applied via electrophoretic deposition (EPD) conformally on ferritic stainless steel current collectors that simulate the interconnection in SOFC stacks have been applied to SOFCs featuring LSM cathodes. Operation over a period of ten days of SOFCs featuring bare and spinel–coated ferritic stainless steel mesh current collectors show that the coatings are highly effectiveto protect against chromium poisoning.

03 NATURAL GAS↗
DOE OSTI2021

The LSST DESC DC2 Simulated Sky Survey

Here, we describe the simulated sky survey underlying the second data challenge (DC2) carried out in preparation for analysis of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) by the LSST Dark Energy Science Collaboration (LSST DESC). Significant connections across multiple science domains will be a hallmark of LSST; the DC2 program represents a unique modeling effort that stresses this interconnectivity in a way that has not been attempted before. This effort encompasses a full end-to-end approach: starting from a large N-body simulation, through setting up LSST-like observations including realistic cadences, through image simulations, and finally processing with Rubin's LSST Science Pipelines. This last step ensures that we generate data products resembling those to be delivered by the Rubin Observatory as closely as is currently possible. The simulated DC2 sky survey covers six optical bands in a wide-fast-deep area of approximately 300 deg 2 , as well as a deep drilling field of approximately 1 deg 2 . We simulate 5 yr of the planned 10 yr survey. The DC2 sky survey has multiple purposes. First, the LSST DESC working groups can use the data set to develop a range of DESC analysis pipelines to prepare for the advent of actual data. Second, it serves as a realistic test bed for the image processing software under development for LSST by the Rubin Observatory. In particular, simulated data provide a controlled way to investigate certain image-level systematic effects. Finally, the DC2 sky survey enables the exploration of new scientific ideas in both static and time domain cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Kinetic simulations of anomalous resistivity in high-temperature current carrying plasmas

Anomalous resistivity caused by lower hybrid drift instabilities (LHDIs) has been extensively studied in the literature, and has been invoked to explain the rates of magnetic diffusion and plasma profile evolution in the low-density plasma periphery of theta and screw pinch plasmas. In this article, we present a fully kinetic simulation study of LHDIs with a realistic mass ratio using the particle-in-cell code Chicago over a large range of drift speeds, 0.5 < v$^{2}_{di}$/v$^{2}_{ti}$ < 14.5, plasma β, β ≥ 2×10 –5 , and temperature ratios, 0.1 < T e /T i < 10. The resistivity quantified from the simulations is compared with the analytic estimates from the literature and a generalized resistivity expression is presented, which can be applied over the entire range of plasma environments that were simulated in this study. This expression uses the amplitude of the LHDI fluctuations resulting from instability saturation by electron resonance broadening rather than plateau formation, current relaxation, or ion trapping. The generalized resistivity expression is appropriate for full-scale fluid simulations that encounter a large range of plasma conditions, and has better agreement with the resistivity quantified from kinetic simulations than previous expressions in the literature, particularly at low plasma β. Anomalous resistivity has also been considered as an explanation of the rapid magnetic field dissipation during magnetic reconnection events at large plasma β. At a large β, the magnetic field fluctuations of LHDIs can dominate the electrostatic fluctuations and this article investigates enhanced collisionality due to the nonlinear magnetic force, δJ×δB/c.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Understanding the Impact of Data Staging for Coupled Scientific Workflows

We report the rate of data generated by cutting-edge experimental science facilities and large-scale simulations enabled by current high-performance computing (HPC) systems has continued to grow at a far greater pace than the development of the network and storage capabilities on which these systems rely. To cope with this challenge, scientist are moving toward the creation of autonomous experiments and HPC simulations using machine learning. However, efficiently moving, storing, and processing large amounts of data away from the point of origin presents an incredible challenge. In-memory computing, in situ analysis, data staging, and data streaming are recognized viable alternatives to traditional file-based methods for transferring data between coupled workflows. However, the performance trade-offs and limitations for these methods are not fully understood when used in HPC applications. This article presents a comprehensive performance assessment of the current solutions for data staging when applied to applications that are not necessary I/O intensive which makes them not ideal candidates for these methods. Our study is based on experiments running at scale on Oak Ridge National Laboratory's Summit supercomputer using applications and simulations that cover typical computational motifs and patterns. We investigated the usability and cost/benefit trade-offs of staging algorithms for HPC applications under different scenarios and highlight opportunities for optimizing the dataflow between coupled simulation workflows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Historical and Projected Trends in Landscape Drivers Affecting Carbon Dynamics in Alaska

Modern climate change in Alaska has resulted in widespread thawing of permafrost, increased fire activity, and extensive changes in vegetation characteristics that have significant consequences for socio-ecological systems. Despite observations of the heightened sensitivity of these systems to change, there has not been a comprehensive assessment of factors that drive ecosystem changes throughout Alaska. In this paper, we present research that improves our understanding of the main drivers of the spatiotemporal patterns of carbon dynamics using in situ observations, remote sensing data, and an array of modeling techniques. In the last 60 years, Alaska has seen a large increase in mean annual air temperature (1.7 °C), with the greatest warming occurring over winter and spring. Warming trends are projected to continue throughout the 21st century and will likely result in landscape-level changes to ecosystem structure and function. Wetlands, mainly bogs and fens, which are currently estimated to cover 12.5% of the landscape, strongly influence exchange of methane between Alaska's ecosystems and the atmosphere and are expected to be affected by thawing permafrost and shifts in hydrology. Simulations suggest the current proportion of near-surface (within 1 m) and deep (within 5 m) permafrost extent will be reduced by 9–74% and 33–55% by the end of the 21st century, respectively. Since 2000, an average of 678,595 ha/yr was burned, more than twice the annual average during 1950–1999. The largest increase in fire activity is projected for the boreal forest, which could result in a reduction in late-successional spruce forest (8–44%) and an increase in early-succession deciduous forest (25–113%) that would mediate future fire activity and weaken permafrost stability in the region. Climate warming will also affect vegetation communities across arctic regions, where the coverage of deciduous forest could increase (223–620%), shrub tundra may increase (4–21%), and graminoid tundra might decrease (10–24%). Finally, this study sheds light on the sensitivity of Alaska's ecosystems to change that has the potential to significantly affect local and regional carbon balance, but more research is needed to improve estimates of land-surface and subsurface properties, and to better account for ecosystem dynamics affected by a myriad of biophysical factors and interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Partitioning Quantum Chemistry Simulations with Clifford Circuits

Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near term. Here, in this work, we investigate the limits of their classical and near-classical treatment while staying within the framework of quantum circuits and the variational quantum eigensolver. To this end, we consider naive and physically motivated, classically efficient product ansatz for the parametrized wavefunction adapting the separable-pair ansatz form. We combine it with post-treatment to account for interactions between subsystems originating from this ansatz. The classical treatment is given by another quantum circuit that has support between the enforced subsystems and is folded into the Hamiltonian. To avoid an exponential increase in the number of Hamiltonian terms, the entangling operations are constructed from purely Clifford or near-Clifford circuits. While Clifford circuits can be simulated efficiently classically, they are not universal. In order to account for missing expressibility, near-Clifford circuits with only few, selected non-Clifford gates are employed. The exact circuit structure to achieve this objective is molecule-dependent and is constructed using simulated annealing and genetic algorithms. We demonstrate our approach on a set of molecules of interest and investigate the extent of our methodology’s reach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A new method for analyzing and visualizing plasma simulations using a phase-space tessellation

We apply a novel phase-space interpolation technique referred to as the simplex-in-cell (SIC) method to analyze two- and three-dimensional particle-in-cell (PIC) simulations of electromagnetic plasmas. SIC relies on a discretization of the initial phase-space distribution function into simplices, which allows an approximation to the full, continuously defined distribution function to be constructed at any later time in the simulation. This allows densities, currents, and even full momentum distribution functions to be measured at any point in the simulation domain without averaging over control volumes. The SIC approach applies to any PIC simulation for which a tessellation of the initial particle distribution can be constructed. In this study, we use outputs from standard PIC simulations of the Weibel instability and compare physical quantities such as charge and current densities calculated in postprocessing using SIC and standard particle deposits. Using 2D simulations with 1–65 536 particles-per-cell, we find that SIC eliminates discrete particle noise and in some cases can reach a given noise level using ~1000 times fewer simulation particles than with standard particle deposition schemes. In regions of low density, such as between current filaments, SIC is able to capture small amplitude features even with fewer particles than gridpoints due to the deformable nature of the SIC volume elements. Here, by calculating momentum distributions, we show how SIC can capture low density tails in the spectrum using far fewer particles than are necessary for standard particle deposits. We calculate the charge density on spatial grids of increasing resolution to demonstrate the ability of SIC to reveal fine-scale details that are not accessible with standard particle deposits. Finally, we show how SIC can be extended to 3D and give an example of its use to calculate the charge density from 3D PIC simulations of the Weibel instability. These results motivate the future implementation of SIC directly in the simulation force calculation for a novel low-noise electromagnetic plasma simulation method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Validation of Simulation Models for Wall-Connected Scrape off Layer Currents during MHD Activity in the HBT-EP Tokamak

This is the final report for the DOE award DE-SC0021657, titled “Validation of Simulation Models for Wall-Connected Scrape off Layer Currents during MHD Activity in the HBT-EP Tokamak” for the period September 1, 2020 – April 30, 2025. This award is part of a broader collaborative project, which supported training of a PhD student at Columbia University under the joint supervision of Dr. Levesque and Dr. Hansen (on award DE-SC0021325). The award supported research into computational models for plasma and 3D conducting structures in the vicinity relevant to tokamak disruptions and other mode activity (eg. RWMs) using the NIMROD and PSI-Tet codes. Additional detail on progress in support of these tasks is provided below.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Multi-GPU immersed boundary method hemodynamics simulations

Large-scale simulations of blood flow that resolve the 3D deformation of each comprising cell are increasingly popular owing to algorithmic developments in conjunction with advances in compute capability. Among different approaches for modeling cell-resolved hemodynamics, fluid structure interaction (FSI) algorithms based on the immersed boundary method are frequently employed for coupling separate solvers for the background fluid and the cells within one framework. GPUs can accelerate these simulations; however, both current pre-exascale and future exascale CPU-GPU heterogeneous systems face communication challenges critical to performance and scalability. In this paper, we describe, to our knowledge, the largest distributed GPU-accelerated FSI simulations of high hematocrit cell-resolved flows with over 17 million red blood cells. We compare scaling on a fat node system with six GPUs per node and on a system with a single GPU per node. Through comparison between the CPU- and GPU-based implementations, we identify the costs of data movement in multiscale multi-grid FSI simulations on heterogeneous systems and show it to be the greatest performance bottleneck on the GPU.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Implicit and coupled fluid plasma solver with adaptive Cartesian mesh and its applications to non-equilibrium gas discharges

In this work, we present a new fluid plasma solver with adaptive Cartesian mesh (ACM) based on a full-Newton (nonlinear, implicit) scheme for non-equilibrium gas discharge plasma. The electrons and ions are described using drift-diffusion approximation coupled to Poisson equation for the electric field. The electron-energy transport equation is solved to account for electron thermal conductivity, Joule heating, and energy loss of electrons in collisions with neutral species. The rate of electron-induced ionization is a function of electron temperature and could also depend on electron density (important for plasma stratification). The ion and gas temperature are kept constant. The transport equations are discretized using a non-isothermal Scharfetter-Gummel scheme to resolve possible large temperature gradients in the sheaths. We demonstrate the new solver for simulations of direct current (DC) and radiofrequency (RF) discharges. The implicit treatment of the coupled equations allows using large time steps. The full-Newton method (FNM) enables fast nonlinear convergence at each time step, offering significantly improved simulation efficiency. We discuss the selection of time steps for solving different plasma problems. The new solver enables solving several problems we could not solve before with existing software: two- and three-dimensional structures of the entire DC discharges including cathode and anode regions, electric field reversals and double-layer formation, the normal cathode spot and an anode ring, moving striations in diffuse and constricted DC discharges, and standing striations in RF discharges. The developed FNM-ACM technique offers many benefits for tackling the disparity of gas discharge plasma systems' time scales and nonlinearity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Trailed vorticity modeling for aeroelastic wind turbine simulations in stand still

Current fast aeroelastic wind turbine codes suitable for certification lack an induction model for standstill conditions. A trailed vorticity model previously used as addition to a blade element momentum theory based aerodynamic model in normal operation has been extended to allow computing the induced velocities in standstill. The model is validated against analytical results for an elliptical wing in constant inflow and against stand still measurements from the NREL/NASA Phase VI unsteady experiment. The extended model obtains good results in case of the elliptical wing, but underpredicts the steady loading for the Phase VI blade in attached flow. The prediction of the dynamic force coefficient loops from the Phase VI experiment is improved by the trailed vorticity modeling in both attached flow and stall in most cases. The exception is the tangential force coefficient in stall, where the codes and measurements deviate and no clear improvement is visible.

17 WIND ENERGY↗
DOE OSTI2014

Switching current density reduction in perpendicular magnetic anisotropy spin transfer torque magnetic tunneling junctions

We investigate the switching current density reduction of perpendicular magnetic anisotropy spin transfer torque magnetic tunneling junctions using micromagnetic simulations. We find that the switching current density can be reduced with elongated lateral shapes of the magnetic tunnel junctions, and additional reduction can be achieved by using a noncollinear polarizer layer. The reduction is closely related to the details of spin configurations during switching processes with the additional in-plane anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗