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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Development of five-moment two-fluid modeling for Z-pinch physics

The Z-pinch m = 0 instability as well as its stabilization by radially sheared axial flow is studied using the nonlinear ideal five-moment twofluid (5M2F) model with an extension of that model to include Braginskii heat and momentum transport. Using the ideal 5M2F model, linear growth rate results are compared with prior work using MHD and Hall MHD. At small normalized wavenumber, 1 < k a < 4 , where a is the effective pinch radius, 5M2F results agree with Hall MHD within 20% in scenarios without radially sheared axial flow. With the sheared flow and focusing on ka = 10/3, agreement with Hall MHD is excellent. In the limit of small ion inertial length, results also match with MHD. A comparison with PIC modeling of shear-free m = 0 stability focuses on a plasma scenario based on recent experimental results. In a scan of mode wavenumber, ideal 5M2F results are qualitatively similar to PIC: the growth rate rises to a peak at a moderate wavenumber and declines at a large wavenumber in contrast to MHD results, which show the saturation of the growth rate with the increasing wavenumber rather than a decline. The peak normalized 5M2F growth rate is γ τ A = 1.5 , where sA is the Alfven transit time across the pinch. The peak occurs at normalized wavenumber ka = 10. For comparison, PIC results have a peak growth of γ τ A = 0.77 at ka = 5. Including Braginskiibased closure of the 5M2F model does not qualitatively change the ideal results in this particular case. Nonlinear saturation is studied using the 5M2F model with the dissipative Braginskii-based closure in cases with pinch-edge sheared-flow speed equal to half the Alfven speed. Nonlinear mixing due to the sheared flow yields a quasi-steady state after modest losses of pinch ion inventory and pinch thermal energy, approximately 30% and 10%, respectively. 5M2F modeling captures the essential physics of m = 0 instability and offers a computationally tractable route to high-fidelity modeling of 3D Z-pinch behavior, including m = 1 instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

GEO3D - Three-Dimensional Computer Model of a Ground Source Heat Pump System

This file is the setup file for GEO3D, a computer program written by Jim Menart to simulate vertical wells in conjunction with a heat pump for ground source heat pump (GSHP) systems. This is a very detailed three-dimensional computer model. This program produces detailed heat transfer and temperature field information for a vertical GSHP system.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

Modeling for Existing Nuclear Power Plant Security Regime

This document details the development of modeling and simulations for existing plant security regimes using identified target sets to link dynamic assessment methodologies by leveraging reactor system level modeling with force-on-force modeling and 3D visualization for developing table-top scenarios. This work leverages an existing hypothetical example used for international physical security training, the Lone Pine nuclear power plant facility for target sets and modeling.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Modeling for Existing Nuclear Power Plant Security Regime

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1980

Evaluation and development of satellite inferences of convective storm intensity using combined case study analysis and thunderstorm model simulations

Major research accomplishments which were achieved during the first year of the grant are summarized. The research concentrated in the following areas: (1) an examination of observational requirements for predicting convective storm development and intensity as suggested by recent numerical experiments; (2) interpretation of recent 3D numerical experiments with regard to the relationship between overshooting tops and surface wind gusts; (3) the development of software for emulating satellite-inferred cloud properties using 3D cloud model predicted data; and (4) the development of a conceptual/semi-quantitative model of eastward propagating, mesoscale convective complexes forming to the lee of the Rocky Mountains.

Cotton, W. R.↗

DOE OSTI2024

Dynamic Rupture Simulations of Caldera Collapse Earthquakes: Effects of Wave Radiation, Magma Viscosity, and Evidence of Complex Nucleation at Kilauea 2018

All instrumented basaltic caldera collapses have generated M w > 5 very long period earthquakes. However, previous studies of source dynamics have been limited to lumped models treating the caldera block as rigid, leaving open questions related to how ruptures initiate and propagate around the ring fault, and the seismic expressions of those dynamics. Here, we present the first 3D numerical model capturing the nucleation and propagation of ring fault rupture, the mechanical coupling to the underlying viscoelastic magma, and the associated seismic wavefield. We demonstrate that seismic radiation, neglected in previous models, acts as a damping mechanism reducing coseismic slip by up to half, with effects most pronounced for large magma chamber volume/ring fault radius or highly compliant crust/compressible magma. Viscosity of basaltic magma has negligible effect on collapse dynamics. In contrast, viscosity of silicic magma significantly reduces ring fault slip. We use the model to simulate the 2018 Kilauea caldera collapse. Three stages of collapse, characterized by ring fault rupture initiation and propagation, deceleration of the downward-moving caldera block and magma column, and post-collapse resonant oscillations, in addition to chamber pressurization, are identified in simulated and observed (unfiltered) near-field seismograms. A detailed comparison of simulated and observed displacement waveforms corresponding to collapse earthquakes with hypocenters at various azimuths of the ring fault reveals a complex nucleation phase for earthquakes initiated on the northwest. Our numerical simulation framework will enhance future efforts to reconcile seismic and geodetic observations of caldera collapse with conceptual models of ring fault and magma chamber dynamics.

58 GEOSCIENCES↗

DOE OSTI2015

Projection Microstereolithography for Architected Materials

Stereolithography (SL) is a prominent paradigm in the realm of additive manufacturing (AM) technologies, which refers to fabrication approaches that build “bottom up” by adding material. Pioneered in 1984 by Chuck Hull, SL relies on light-activated solidification of a liquid photosensitive resin in a layer-by-layer fashion, with the geometry of each layer defined by sectioning a three-dimensional (3D) computer model by closely-spaced parallel planes. The maturation of the technology over nearly three subsequent decades has resulted in the wide availability of commercial SL products, such as the ProJet series from 3D Systems, Inc. (which uses the proprietary acronym SLA to refer to SL technology), which routinely produces parts with 50-100 µm resolution in all three axes, and overall dimensions of 0.25-0.5 m. In the most general terms, advancements in SL technology have generally been aimed at achieving four goals: decreasing (1) system cost and (2) minimum feature size (i.e. improving resolution), while (3) increasing overall part size and (4) build speed. SL systems can be broadly categorized into two classes, by the way in which they deliver illumination to produce the shape of each object layer to be fabricated: laser-scanning and mask projection approaches. Commercially-available SL systems incorporate the laser-scanning approach, following the original scheme described by Hull, since digital image projection technology has only emerged relatively recently as a viable alternative. A significant limitation of laser scanning is the relatively slow speed of rastering the laser to form each layer’s pattern, highlighting the need for a dynamic mask-based approach to polymerize larger areas in a single exposure. The recent proliferation of digital display technologies (referred to as spatial light modulators or SLMs) has enabled the implementation of such “dynamic masking,” increasing system throughput by allowing a complete image layer to be cross-linked simultaneously. These mask projection SL systems are gaining greater prominence, and the landscape of some of the parameters available for system design, as implemented in recent work by a variety of investigators, has been reviewed by Lambert et al.

36 MATERIALS SCIENCE↗

NASA NTRS2002

Overview of High-Fidelity Modeling Activities in the Numerical Propulsion System Simulations (NPSS) Project

A high-fidelity simulation of a commercial turbofan engine has been created as part of the Numerical Propulsion System Simulation Project. The high-fidelity computer simulation utilizes computer models that were developed at NASA Glenn Research Center in cooperation with turbofan engine manufacturers. The average-passage (APNASA) Navier-Stokes based viscous flow computer code is used to simulate the 3D flow in the compressors and turbines of the advanced commercial turbofan engine. The 3D National Combustion Code (NCC) is used to simulate the flow and chemistry in the advanced aircraft combustor. The APNASA turbomachinery code and the NCC combustor code exchange boundary conditions at the interface planes at the combustor inlet and exit. This computer simulation technique can evaluate engine performance at steady operating conditions. The 3D flow models provide detailed knowledge of the airflow within the fan and compressor, the high and low pressure turbines, and the flow and chemistry within the combustor. The models simulate the performance of the engine at operating conditions that include sea level takeoff and the altitude cruise condition.

Veres, Joseph P.↗

DOE OSTI2016

Bright hot impacts by erupted fragments falling back on the sun: magnetic channelling

Dense plasma fragments were observed to fall back on the solar surface by the Solar Dynamics Observatory after an eruption on 2011 June 7, producing strong extreme-ultraviolet brightenings. Previous studies investigated impacts in regions of weak magnetic field. Here we model the ∼300 km s{sup −1} impact of fragments channelled by the magnetic field close to active regions. In the observations, the magnetic channel brightens before the fragment impact. We use a 3D-MHD model of spherical blobs downfalling in a magnetized atmosphere. The blob parameters are constrained from the observation. We run numerical simulations with different ambient densitie and magnetic field intensities. We compare the model emission in the 171 Å channel of the Atmospheric Imaging Assembly with the observed one. We find that a model of downfall channelled in an ∼1 MK coronal loop confined by a magnetic field of ∼10–20 G, best explains qualitatively and quantitatively the observed evolution. The blobs are highly deformed and further fragmented when the ram pressure becomes comparable to the local magnetic pressure, and they are deviated to be channelled by the field because of the differential stress applied by the perturbed magnetic field. Ahead of them, in the relatively dense coronal medium, shock fronts propagate, heat, and brighten the channel between the cold falling plasma and the solar surface. This study shows a new mechanism that brightens downflows channelled by the magnetic field, such as in accreting young stars, and also works as a probe of the ambient atmosphere, providing information about the local plasma density and magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Development of a high fidelity CFD model for solvent evaporation and transport in porous structure during battery electrode drying

An efficient battery manufacturing process is the key to the mass production of Electric Vehicles (EV), in which drying is one of the most energy-intensive steps significantly influencing the battery cell performance. An accurate 3D CFD model for drying is essential for predicting the drying mechanism and optimizing its parameters. By optimizing the drying process, it is possible to reduce energy consumption and cost during battery manufacturing, minimize binder loading and maximize active material loading to achieve superior electrochemical performances and facilitate wider and faster public adoption of EV. This project aims to optimize the drying process during electrode manufacturing by leveraging high-fidelity, porous electrode simulations for solvent evaporation. By optimizing this process, we seek to reduce energy consumption during battery manufacturing, while minimizing binder loading and maximizing active material loading, with the overall goal of enhancing electrical vehicle performance.

Horner, Jeffrey Scott [Sandia National Laboratorie↗

DOE OSTI2018

A Numerical Model of Exchange Chromatography Through 3D Lattice Structures

Rapid progress in the development of additive manufacturing technologies is opening new opportunities to fabricate structures that control mass transport in three dimensions across a broad range of length scales. We describe a structure that can be fabricated by newly available commercial 3D printers. It contains an array of regular three-dimensional flow paths that are in intimate contact with a solid phase, and thoroughly shuffle material among the paths. We implement a chemically reacting flow model to study its behavior as an exchange chromatography column, and compare it to an array of one-dimensional flow paths that resemble more traditional honeycomb monoliths. A reaction front moves through the columns and then elutes. Here, the front is sharper at all flow rates for the structure with three-dimensional flow paths, and this structure is more robust to channel width defects than the one-dimensional array.

42 ENGINEERING↗

DOE OSTI2024

Quantum mechanical model of crossing and anti-crossing points in 3D full-band Monte Carlo simulations

This work presents a 3D quantum mechanics based model to address the physics at band structure crossing/anti-crossing points in full band Monte Carlo (FBMC) simulations. The model solves the Krieger and Iafrate (KI) equations in real time using pre-computed coefficients at k-points spatially sampled within the first Brillouin zone. Solving the KI equations in real time makes this model applicable for all electric fields, which enables its use in FBMC device simulations. In this work, a two-level refinement scheme is used to aggressively sample regions in proximity to band crossings for accurate solutions to the KI equations and coarsely sample everywhere else to limit the number of k-points used. The presented sampling method is demonstrated on the band structure of silicon but is effective for the band structure of any semiconductor material. Next, the adaptation of the fully quantum KI model into the semi-classical FBMC method is discussed. Finally, FBMC simulations of hole transport in 4H silicon carbide with and without the KI model are performed. Results along different crystallographic directions for a wide range of electric fields are compared to previously published simulation and experimental values.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Simulated photoevaporative mass loss from hot jupiters in 3D

Ionizing stellar photons heat the upper regions of planetary atmospheres, driving atmospheric mass loss. Gas escaping from several hot, hydrogen-rich planets has been detected using UV and X-ray transmission spectroscopy. Because these planets are tidally locked, and thus asymmetrically irradiated, escaping gas is unlikely to be spherically symmetric. In this paper, we focus on the effects of asymmetric heating on local outflow structure. We use the Athena code for hydrodynamics to produce 3D simulations of hot Jupiter mass loss that jointly model wind launching and stellar heating via photoionization. Our fiducial planet is an inflated, hot Jupiter with radius R{sub p}=2.14R{sub Jup} and mass M{sub p}=0.53M{sub Jup}. We irradiate the initially neutral, atomic hydrogen atmosphere with 13.6 eV photons and compute the outflow’s ionization structure. There are clear asymmetries in the atmospheric outflow, including a neutral shadow on the planet’s nightside. Given an incident ionizing UV flux comparable to that of the Sun, we find a steady-state mass loss rate of ∼2×10{sup 10} g s{sup −1}. The total mass loss rate and the outflow substructure along the substellar ray show good agreement with earlier 1D models, for two different fluxes. Our 3D data cube can be used to generate the outflow’s extinction spectrum during transit. As a proof of concept, we find absorption of stellar Lyα at Doppler-shifted velocities of up to ±50 km s{sup −1}. Our work provides a starting point for further 3D models that can be used to predict observable signatures of hot Jupiter mass loss.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Simulating 10,000 Years of Erosion to Assess Nuclear Waste Repository Performance

Long-term environmental performance assessments of natural processes, including erosion, are critically important for waste repository site evaluation. Yet, assessing a site’s ability to continuously function is challenging due to parameter uncertainty and compounding nonlinear processes. In lieu of unavailable site data for model calibration, we present a workflow to include multiple sources of surrogate data and reduced-order models to validate parameters for a long-term erosion assessment of a low-level radioactive nuclear waste repository. We apply this new workflow to a low-level waste repository on mesas in Los Alamos National Laboratory in New Mexico. To account for parameter uncertainty, we simulate high-, moderate-, and low-erosion cases. The assessment extends to 10,000 years, which results in large erosion uncertainties, but is necessary given the nature of the interred waste. Our long-term erosion analysis shows that high-erosion scenarios produce rounded mesa tops and partially filled canyons, diverging from the moderate-erosion case that results in gullies and sharp mesa rims. Our novel model parameterization workflow and modeling exercise demonstrates the utility of long-term assessments, identifies sources of erosion forecast uncertainty, and demonstrates the utility of landscape evolution model development. We end with a discussion on methods to reduce assessment uncertainty and increase model confidence.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2012

GPR Imaging for Deeply Buried Objects: A Comparative Study Based on FDTD Models and Field Experiments

Conventional use of Ground Penetrating Radar (GPR) is hampered by variations in background environmental conditions, such as water content in soil, resulting in poor repeatability of results over long periods of time when the radar pulse characteristics are kept the same. Target objects types might include voids, tunnels, unexploded ordinance, etc. The long-term objective of this work is to develop methods that would extend the use of GPR under various environmental and soil conditions provided an optimal set of radar parameters (such as frequency, bandwidth, and sensor configuration) are adaptively employed based on the ground conditions. Towards that objective, developing Finite Difference Time Domain (FDTD) GPR models, verified by experimental results, would allow us to develop analytical and experimental techniques to control radar parameters to obtain consistent GPR images with changing ground conditions. Reported here is an attempt at developing 20 and 3D FDTD models of buried targets verified by two different radar systems capable of operating over different soil conditions. Experimental radar data employed were from a custom designed high-frequency (200 MHz) multi-static sensor platform capable of producing 3-D images, and longer wavelength (25 MHz) COTS radar (Pulse EKKO 100) capable of producing 2-D images. Our results indicate different types of radar can produce consistent images.

Tilley, roger↗

DOE OSTI2020

Constraining the distance to the North Polar Spur with Gaia DR2

ABSTRACT The North Polar Spur (NPS) is one of the largest structures observed in the Milky Way in both the radio and soft X-rays. While several predictions have been made regarding the origin of the NPS, modelling the structure is difficult without precise distance constraints. In this paper, we determine accurate distances to the southern terminus of the NPS and towards latitudes ranging up to 55°. First, we fit for the distance and extinction to stars towards the NPS using optical and near-infrared photometry and Gaia Data Release 2 astrometry. We model these per-star distance–extinction estimates as being caused by dust screens at unknown distances, which we fit for using a nested sampling algorithm. We then compare the extinction to the Spur derived from our 3D dust modelling with integrated independent measures from XMM–Newton X-ray absorption and H i column density measures. We find that we can account for nearly 100 per cent of the total column density of the NPS as lying within 140 pc for latitudes >26° and within 700 pc for latitudes <11°. Based on the results, we conclude that the NPS is not associated with the Galactic Centre or the Fermi bubbles. Instead, it is likely associated, especially at higher latitudes, with the Scorpius–Centaurus association.

Das, Kaustav K.↗

NASA NTRS2015

Prototype Biology-Based Radiation Risk Module Project

Biological effects of space radiation and risk mitigation are strategic knowledge gaps for the Evolvable Mars Campaign. The current epidemiology-based NASA Space Cancer Risk (NSCR) model contains large uncertainties (HAT #6.5a) due to lack of information on the radiobiology of galactic cosmic rays (GCR) and lack of human data. The use of experimental models that most accurately replicate the response of human tissues is critical for precision in risk projections. Our proposed study will compare DNA damage, histological, and cell kinetic parameters after irradiation in normal 2D human cells versus 3D tissue models, and it will use a multi-scale computational model (CHASTE) to investigate various biological processes that may contribute to carcinogenesis, including radiation-induced cellular signaling pathways. This cross-disciplinary work, with biological validation of an evolvable mathematical computational model, will help reduce uncertainties within NSCR and aid risk mitigation for radiation-induced carcinogenesis.

Terrier, Douglas↗

DOE OSTI2023

Semi-Annual Report for Horizontal Compact High Temperature Gas Reactor (HC-HTGR) Development during Performance Period April 2023 – September 2023

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary coolant system to ensure temperatures within the core remain below safety margins during steady-state and potential accident scenarios. This fourth semi-annual report summarized the progress made at Argonne on the two tasks during the second half of FY23. As a part of the RCCS design task, recent efforts have been made to complete a conceptual design of the RCCS for the HC-HTGR, including the design update of the water panel and system configuration favorable in point of view of fabrication and system operation. Design calculations were conducted under various heat load conditions to validate the system design. Transient simulations using RELAP5-3D were conducted to investigate system dynamics under transients of interest and to evaluate the system performance in the design condition. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat sink. In the primary system thermal hydraulics task, the preliminary analysis was performed for a long term pressurized conduction cooldown (PCC) transient. This analysis used a combination of a fully resolved and coarse homogenized mesh to predict the temperature distribution for the steady-state initial condition and the PCC transient. The steady-state initial condition was determined using a fully resolved full core model with 3D solid to 1D fluid coupling. The fully resolved mesh was also used to model the first 20 seconds of the PCC. The temperature difference between fuel pins and the graphite matrix becomes minimal and the dominant heat transfer shifts to a larger scale radially towards the RCCS. After 20 seconds, a homogenized coarse mesh is used, greatly reducing the computational costs of the model. These results demonstrate that the core is designed to passively remove enough decay heat in a protected loss of primary coolant flow to prevent an unsafe rise of core temperatures.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗