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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

ParFlow Sand Tank: A tool for groundwater exploration

The ParFlow Sand Tank model is an open source application designed to allow users to interactively simulate and visualize groundwater movement through the subsurface. The app is designed for both research and education; teaching hydrogeology concepts and making it easy explore and run sophisticated groundwater simulations. Our goal is to support increased accessibility and usability of research grade hydrology tools for research and teaching. The Sand Tank application simulates groundwater and surface water fluxes as well as contaminant transport in real time using the integrated physical hydrology model ParFlow (Kollet & Maxwell, 2006; Maxwell & Miller, 2005; Osei-Kuffuor et al., 2014) and the particle tracking code EcoSlim (Maxwell et al., 2019). ParFlow is a numerical hydrology model that simulates spatially distributed groundwater and surface water flow. It is a well established research tool with more than 90 publications documenting its development use to advance our understanding of groundwater dynamics and groundwater surface water interactions from the hillslope to the continental scale e.g. (Condon et al., 2020; Condon & Maxwell, 2019; Maxwell & Condon, 2016). It is designed for efficient parallel computation and has been run on many platforms spanning from laptops to supercomputers. However, one of the challenges of ParFlow is that it requires significant training and hydrologic expertise to develop simulations. The Sand Tank application makes this model accessible to anyone for education and exploration. Our application uses ParFlow for its simulation backend and ParaView for the data loading and processing. The communication infrastructure relies on the ParaViewWeb framework. We use model templates deployed in Docker images to setup the Sand Tank framework. Users can build the application locally or interact with it through our web deployment. When interacting with a template users can interactively change model parameters like subsurface processes or pump/inject water into the subsurface and watch the system respond to their changes in real time as the simulation runs. Additionally, our template setup will allow more advanced users to build custom templates of increasing complexity for both research and educational purposes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

DENSITY FLUCTUATIONS AND THE ACCELERATION OF ELECTRONS BY BEAM-GENERATED LANGMUIR WAVES IN THE SOLAR CORONA

Non-thermal electron populations are observed throughout the heliosphere. The relaxation of an electron beam is known to produce Langmuir waves which, in turn, may substantially modify the electron distribution function. As the Langmuir waves are refracted by background density gradients and as the solar and heliospheric plasma density is naturally perturbed with various levels of inhomogeneity, the interaction of Langmuir waves with non-thermal electrons in inhomogeneous plasmas is an important topic. We investigate the role played by ambient density fluctuations on the beam-plasma relaxation, focusing on the effect of acceleration of beam electrons. The scattering of Langmuir waves off turbulent density fluctuations is modeled as a wavenumber diffusion process which is implemented in numerical simulations of the one-dimensional quasilinear kinetic equations describing the beam relaxation. The results show that a substantial number of beam electrons are accelerated when the diffusive timescale in wavenumber space {tau}{sub D} is of the order of the quasilinear timescale {tau}{sub ql}, while when {tau}{sub D} << {tau}{sub ql}, the beam relaxation is suppressed. Plasma inhomogeneities are therefore an important means of energy redistribution for waves and hence electrons, and so must be taken into account when interpreting, for example, hard X-ray or Type III emission from flare-accelerated electrons.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

On Collisions Times of ‘Self-Sorting’ Interacting Particles in One-Dimension with Random Initial Positions and Velocities

We investigate a one-dimensional system of N particles, initially distributed with random positions and velocities, interacting through binary collisions. The collision rule is such that there is a time after which the N particles do not interact and become sorted according to their velocities. When the collisions are elastic, we derive asymptotic distributions for the final collision time of a single particle and the final collision time of the system as the number of particles approaches infinity, under different assumptions for the initial distributions of the particles’ positions and velocities. For comparison, a numerical investigation is carried out to determine how a non-elastic collision rule, which conserves neither momentum nor energy, affects the median collision time of a particle and the median final collision time of the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Numerical solution of 2D wet steam flow with non-equilibrium condensation and real thermodynamics

An approach to modeling of wet steam flow with non-equilibrium condensation phenomenon is presented. The first part of our flow model is homogeneous Euler system of transport equations for mass, momentum and total energy of wet steam (mixture). The additional second part describes liquid phase via non-homogeneous system of transport equations for moments of droplets number distribution function and relies on corrected classical nucleation theory. Moment equations are closed by linearization of droplet growth rate model. All necessary relations for thermodynamic properties of steam are provided by IAPWS set of equations. However, properties of condensate are simply modeled by liquid saturation data. Two real equations of state are implemented. Recently developed CFD formulation for entropy (does not require iteration process) and so-called IAPWS special gas equation for Helmholtz energy (one iteration loop is necessary). Flow model is validated on converging-diverging supersonic nozzle with Barschdorff geometry. Simulations were performed by in-house CFD code based on finite volume method and stiff character of equations was solved by symmetrical time operator splitting. Achieved results satisfactorily agreed with experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Molecular structure of vapor-deposited amorphous selenium

The structure of amorphous selenium is clouded with much uncertainty and contradictory results regarding the dominance of polymeric chains versus monomer rings. The analysis of the diffraction radial distribution functions are inconclusive because of the similarities between the crystalline allotropes of selenium in terms of the coordination number, bond length, bond angle, and dihedral angle. Here, we took a much different approach and probed the molecular symmetry of the thermodynamically unstable amorphous state via analysis of structural phase transformations. We verified the structure of the converted metastable and stable crystalline structures using scanning transmission electron microscopy. In addition, given that no experimental technique can tell us the exact three-dimensional atomic arrangements in glassy semiconductors, we performed molecular-dynamic simulations using a well-established empirical three-body interatomic potential. In this work, we developed a true vapor-deposited process for the deposition of selenium molecules onto a substrate using empirical molecular vapor compositions and densities. We prepared both vapor-deposited and melt-quenched samples and showed that the simulated radial distribution functions match very well to experiment. The combination of our experimental and molecular-dynamic analyses shows that the structures of vapor- and melt-quenched glassy/amorphous selenium are quite different, based primarily on rings and chains, respectively, reflecting the predominant structure of the parent phase in its thermodynamic equilibrium.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Grid Modeling and Hosting Capacity Analysis

An interface with the OpenDSS distribution grid simulator, facilitating users in calibrating and validating models. Additionally, three distinct tools have been developed: PV Hosting Capacity: This tool allows users to determine the additional amount of photovoltaic (PV) generation that can be integrated into the system without breaching operational constraints. EV Hosting Capacity: This tool focuses on identifying the capacity for incorporating extra electric vehicle (EV) load into the system without surpassing operational limitations. Project Impact Analysis Tool: This tool is designed to assess and report all potential grid violations associated with a specific project, providing valuable insights into its impact on the distribution grid.

Poudel, Shiva↗
DOE OSTI2017

GenASiSBasics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 2)

GenASiSBasics provides Fortran 2003 classes furnishing extensible object-oriented utilitarian functionality for large-scale physics simulations on distributed memory supercomputers. This functionality includes physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Finally, this revision–Version 2 of Basics–makes mostly minor additions to functionality and includes some simplifying name changes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Short- and medium-range order in Sb–Se glasses

Neutron diffraction measurements were performed to investigate the structure of Sb{sub x}Se{sub 100−x} bulk glasses with x=5, 10, 15, 20 and 25 at% Sb. The total pair distribution functions show two peaks at 2.36 Å and 2.64 Å, which are attributed to Se–Se and Sb–Se bonds, respectively. The coordination numbers calculated from these peaks indicate that Sb atoms are three-coordinated and Se atoms are two-coordinated for all the above compositions. However, the composition dependences of the first two peaks in the structure factors show an obvious change between 15 and 20 at% Sb, indicating that the medium-range structure is changed in this range of Sb content. In order to elucidate the medium-range structure, reverse Monte Carlo simulation was used with coordination number constraints. The structure models consisting of a mixture of the SbSe{sub 3/2} network and Se{sub n} chain clusters were in good agreement with neutron diffraction data for Se-rich glass (5, 10 and 15 at% Sb). On the other hand, a better fit was obtained for Sb{sub 25}Se{sub 75} glass with a model based on the network structure formed by connected SbSe{sub 3} units. - Graphical abstract: A 50 Å slice of the RMC configuration for Sb{sub 15}Se{sub 85} glass. - Highlights: • Sb atoms are three-coordinated and Se atoms are two-coordinated. • The medium-range structure changes between 15 and 20 at%. • The phase-separation tendency is observed in Se-rich glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ground Heat Flux Reconstruction Using Bayesian Uncertainty Quantification Machinery and Surrogate Modeling

Ground heat flux (G 0 ) is a key component of the land-surface energy balance of high-latitude regions. Despite its crucial role in controlling permafrost degradation due to global warming, G 0 is sparsely measured and not well represented in the outputs of global scale model simulation. In this study, an analytical heat transfer model is tested to reconstruct G 0 across seasons using soil temperature series from field measurements, Global Climate Model, and climate reanalysis outputs. The probability density functions of ground heat flux and of model parameters are inferred using available G 0 data (measured or modeled) for snow-free period as a reference. When observed G 0 is not available, a numerical model is applied using estimates of surface heat flux (dependent on parameters) as the top boundary condition. These estimates (and thus the corresponding parameters) are verified by comparing the distributions of simulated and measured soil temperature at several depths. Aided by state-of-the-art uncertainty quantification methods, the developed G 0 reconstruction approach provides novel means for assessing the probabilistic structure of the ground heat flux for regional permafrost change studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

One-Dimensional Fluids with Second Nearest–Neighbor Interactions

As is well known, one-dimensional systems with interactions restricted to first nearest neighbors admit a full analytically exact statistical-mechanical solution. This is essentially due to the fact that the knowledge of the first nearest–neighbor probability distribution function, p{sub 1}(r), is enough to determine the structural and thermodynamic properties of the system. On the other hand, if the interaction between second nearest–neighbor particles is turned on, the analytically exact solution is lost. Not only the knowledge of p{sub 1}(r) is not sufficient anymore, but even its determination becomes a complex many-body problem. In this work we systematically explore different approximate solutions for one-dimensional second nearest–neighbor fluid models. We apply those approximations to the square-well and the attractive two-step pair potentials and compare them with Monte Carlo simulations, finding an excellent agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Study of the structure and chemical bonding of crystalline Ge{sub 4}Sb{sub 2}Te{sub 7} using first principle calculations

The atomic arrangements and chemical bonding of stable Ge{sub 4}Sb{sub 2}Te{sub 7} (GeTe rich), a phase-change material, have been investigated by means of ab initio total energy calculations. To study the atomic arrangement, GeTe block is considered into -TeSbTeSbTe- block and -Te-Te- layer in the stacking I and II respectively. The stacking I is energetically more stable than the stacking II. The reason for more stability of the stacking I has been explained. The chemical bonding has been studied with the electronic charge density distribution around the atomic bonds. The quantity of electronic charge loosed or gained by atoms has been calculated using the Bader charge analysis. The metallic character has been studied using band structures calculations. The band gap for the stacking I and II is 0.463 and 0.219 eV respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Simulation of Inrush Dynamics for Unbalanced Distribution Systems using Phasor Dynamics

Microgrids are a possible solution to mitigate the extensive interruptions in service to end-use customers caused by abnormal events, such as major natural disasters. Microgrids can be formed by energizing portions of the distribution system to interconnect generator and critical loads. In this scenario, inrush dynamic currents can present a barrier for forming microgrids by preventing the necessary switching operations and/or damaging equipment. Modeling inrush dynamics, through electromagnetic transient tools, presents a challenge when the microgrid represents a large portion of a distribution feeder. This paper uses a phasor dynamics approach to approximate the envelope of inrush dynamics, thus allowing simulations of large systems. The two main contributions of this paper are: a) a new formulation to solve a set of phasor-dynamic differential equations representing an unbalanced distribution system; and b) modeling of transformer saturation in the phasor-dynamics frame. These two contributions allow the in-rush phenomena to be simulated on full size microgrid and/or distribution feeder models. The new formulation and model are implemented in GridLAB-D, and tested on IEEE test systems.

inrush, GridLAB-D, distribution analysis, microgri↗
DOE OSTI2019

EGS Collab Testbed 1: Temperature profile

This submission includes an input file, plot file, Fortran conversion file, and 3D data file from the simulation of the temperature profile within the Test Bed #1 of the EGS Collab project. The simulation was executed with PNNL's STOMP-GT simulator, which reads the input file, and produces the STOMP-GT Simulated 2D Temperature Distribution Data (plot.001302 file). The Fortran conversion file, converts the STOMP-GT Simulated 2D Temperature Distribution Data (plot.001302) 2D results in local coordinates to 3D results in Homestake coordinates.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

GenASiS Basics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 4)

GenASiS Basics provides modern Fortran classes furnishing extensible object-oriented utilitarian functionality for large-scale physics simulations on distributed memory supercomputers. This functionality includes physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Herein, this revision—Version 4 of Basics—includes a name change and additions to functionality, including the facilitation of direct communication between GPUs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

THE CENTRAL SLOPE OF DARK MATTER CORES IN DWARF GALAXIES: SIMULATIONS VERSUS THINGS

We make a direct comparison of the derived dark matter (DM) distributions between hydrodynamical simulations of dwarf galaxies assuming a {Lambda}CDM cosmology and the observed dwarf galaxies sample from the THINGS survey in terms of (1) the rotation curve shape and (2) the logarithmic inner density slope {alpha} of mass density profiles. The simulations, which include the effect of baryonic feedback processes, such as gas cooling, star formation, cosmic UV background heating, and most importantly, physically motivated gas outflows driven by supernovae, form bulgeless galaxies with DM cores. We show that the stellar and baryonic mass is similar to that inferred from photometric and kinematic methods for galaxies of similar circular velocity. Analyzing the simulations in exactly the same way as the observational sample allows us to address directly the so-called cusp/core problem in the {Lambda}CDM model. We show that the rotation curves of the simulated dwarf galaxies rise less steeply than cold dark matter rotation curves and are consistent with those of the THINGS dwarf galaxies. The mean value of the logarithmic inner density slopes {alpha} of the simulated galaxies' DM density profiles is {approx}-0.4 {+-} 0.1, which shows good agreement with {alpha} = -0.29 {+-} 0.07 of the THINGS dwarf galaxies. The effect of non-circular motions is not significant enough to affect the results. This confirms that the baryonic feedback processes included in the simulations are efficiently able to make the initial cusps with {alpha} {approx}-1.0 to -1.5 predicted by DM-only simulations shallower and induce DM halos with a central mass distribution similar to that observed in nearby dwarf galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Improved Collective Thomson Scattering measurements of fast ions at ASDEX upgrade

Understanding the behaviour of the confined fast ions is important in both current and future fusion experiments. These ions play a key role in heating the plasma and will be crucial for achieving conditions for burning plasma in next-step fusion devices. Microwave-based Collective Thomson Scattering (CTS) is well suited for reactor conditions and offers such an opportunity by providing measurements of the confined fast-ion distribution function resolved in space, time and 1D velocity space. We currently operate a CTS system at ASDEX Upgrade using a gyrotron which generates probing radiation at 105 GHz. A new setup using two independent receiver systems has enabled improved subtraction of the background signal, and hence the first accurate characterization of fast-ion properties. Here we review this new dual-receiver CTS setup and present results on fast-ion measurements based on the improved background characterization. These results have been obtained both with and without NBI heating, and with the measurement volume located close to the centre of the plasma. The measurements agree quantitatively with predictions of numerical simulations. Hence, CTS studies of fast-ion dynamics at ASDEX Upgrade are now feasible. The new background subtraction technique could be important for the design of CTS systems in other fusion experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Thermal pressure in the cold neutral medium of nearby galaxies

Dynamic and thermal processes regulate the structure of the multiphase interstellar medium (ISM), and ultimately establish how galaxies evolve through star formation. Thus, to constrain ISM models and better understand the interplay of these processes, it is of great interest to measure the thermal pressure (P{sub th}) of the diffuse, neutral gas. By combining [C ii] 158 μm, H i, and CO data from 31 galaxies selected from the Herschel KINGFISH sample, we have measured thermal pressures in 534 predominantly atomic regions with typical sizes of ∼1 kiloparsec. We find a distribution of thermal pressures in the P{sub th}/k∼10{sup 3}--10{sup 5} K cm{sup −3} range. For a sub-sample of regions with conditions similar to those of the diffuse, neutral gas in the Galactic plane, we find thermal pressures that follow a log-normal distribution with a median value of P{sub th}/k ≈ 3600 K cm{sup −3}. These results are consistent with thermal pressure measurements using other observational methods. We find that P{sub th} increases with radiation field strength and star formation activity, as expected from the close link between the heating of the gas and the star formation rate. Our thermal pressure measurements fall in the regime where a two-phase ISM with cold and warm neutral media could exist in pressure equilibrium. Finally, we find that the midplane thermal pressure of the diffuse gas is about ∼30% of the vertical weight of the overlying ISM, consistent with results from hydrodynamical simulations of self-regulated star formation in galactic disks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Mechanical Properties and Strain-Induced Martensite Transformation in Cold Rolling of 304L Stainless Steel Plate

In this work, cold rolling behavior of stainless steel 304L is investigated and the effects of different process parameters on the occurrence of strain-induced martensite and mechanical properties are studied. The rolling experiments are conducted under different rolling speeds and reductions in which a set of samples is deformed at room temperature and the other set is first cooled to the temperature of − 10 °C and then rolled. Afterward, the developed microstructures and mechanical properties of the rolled steel are evaluated employing different testing techniques. In order to justify the results, mathematical modeling of cold rolling operation is also performed using Abaqus/Explicit to estimate the distribution of equivalent plastic strain and temperature rise during rolling. The results show that strain-induced martensite may occur during cold rolling and it efficiently alters microstructure and mechanical performance of the rolled plate. The amount of reduction, initial temperature, rolling layout, and, to a lesser extent, rolling speed can affect the kinetics of martensite transformation as well as microstructure and mechanical properties of the rolled steel.

36 MATERIALS SCIENCE↗