Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “3D transport”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Multi-X-point radiation and its dynamics in up/down asymmetry in plasma detachment regimes in Wendelstein 7-X

In Wendelstein 7-X (W7-X), stable plasma detachment in ECRH hydrogen plasmas is routinely achieved with the standard magnetic configuration, containing five magnetic islands in the scrape-off layer (SOL). Plasma detachment induced by intrinsic carbon impurities is characterized by a high radiation fraction (ƒ rad ) with significantly reduced divertor heat load and particle flux. In this work, we present the radiation dynamics during the detached plasma (DP) phase, such as the shift of radiation zones in radial and poloidal directions towards the X-points as ƒ rad increases (∼0.6–0.9), as well as the penetration of the radiation layer into the confinement region in the deep DP phase with ƒ rad approaching unity. In particular, a structure of multi-X-point radiation (multi-XPR) with an up/down asymmetry in the DP phase is highlighted, which is revealed by bolometer tomography and is further confirmed by video diagnostics. The multi-XPR structure forms helical 3D bands aligned with W7-X field periodicity. Field reversal experiments show that the brightest XPR displaces between the upper and lower SOL regions, suggesting the E× B drift effects. This paper presents the multi-XPR structure observed in the W7-X plasma in detail for the first time. A simplified model considering the influence of the poloidal E× B drift ( V d ) on the impurity flow in the SOL shows that the downstream drift toward the target or target shadow region ( V d < 0) decreases the impurity content, while the upstream drift toward the LCFS ( V d > 0) increases the impurity content. On this basis, the poloidal drift potentially leads to an up/down asymmetry of impurity density in the SOL despite the symmetry magnetic topology. The dynamics of the up/down asymmetry in the multi-XPR structure is also related to the magnitude V d /D (normalized to the impurity diffusivity), with an additional effect owing to the radial inward shift of the emission zone. These results provide new insights into impurity-induced detachment dynamics and provide a basis for improving 3D modeling of impurity transport, which typically does not consider drifts.

E × B drift↗
DOE OSTI2024

EchemAMR (electro-chemical microsctructure scale models with adaptive meshing) [SWR-23-111]

A 3D microstructure resolving electrochemical transport and interfacial chemistry solver. Electrode microstructure plays an important role in determining the performance of an electrochemical system, e.g. lithium ion battery. EchemAMR is a microstructure scale model that solves the governing equations for ion transport, electrical current continuity, interfacial chemistry and structural mechanics. Complex microstructure geometries from imaging can be directly imported into EchemAMR. A volume fraction based description of the geometry on Cartesian grid with an immersed interface formulation enables simplified meshing and large-scale simulations with millions of degrees of freedom. EchemAMR has been tested against systems with analytic solutions for numerical convergence and highly resolved lithium ion battery microstructures. EchemAMR demonstrates excellent mass conversation and efficient scaling on heterogenous High-Performance Computing (HPC) with central and graphics processing units.

Sitaraman, Hariswaran↗
DOE OSTI2022

Mechanical, Microstructural, and Electrochemical Characterization of NaSICON Sodium Ion Conductors [Poster]

The DOE Office of Electricity views sodium batteries as a priority in pursuing a safe, resilient, and reliable grid. Improvements in solid-state electrolytes are key to realizing the potential of these large-scale batteries. NaSICON structure consists of SiO 4 or PO 4 tetrahedra sharing common corners with ZrO 6 octahedra. Structure forms “tunnels” in three dimensions that can transport interstitial sodium ion. 3D structure provides higher ionic conductivity than other conductors (β’’-alumina), particularly at low temperature. Lower temperature (cheaper) processing compared to β’’-alumina. Our objective was to identify fundamental structure-processing-property relationships in NaSICON solid electrolytes to inform design for use in sodium batteries. In this work, the mechanical properties of NaSICON sodium ion conductors are affected by sodium conduction. Electrochemical cycling can alter modulus and hardness in NaSICON. Excessive cycling can lead to secondary phases and/or dendrite formation that change mechanical properties in NaSICON. Mechanical and electrochemical properties can be correlated with topographical features to further inform design decisions

25 ENERGY STORAGE↗
DOE OSTI2024

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗
NASA NTRS1992

Nimbus-7 total ozone observations of western North Pacific tropical cyclones

The Nimbus-7 Total Ozone Mapping Spectrometer (TOMS) was used to map the distribution of total ozone around western North Pacific tropical cyclones from 1979 to 1982. The strong correlation between total ozone distribution and tropopause height found in the subtropical and midlatitudes made it possible for TOMS to monitor the propagation of upper-tropospheric waves and the mutual adjustment between these waves and tropical cyclones during their interaction. Changes in these total ozone patterns reflect the 3D upper-tropospheric transport processes that are involved in tropical cyclone intensity and intensity and motion changes. The total ozone distributions indicate that: (1) the mean upper-tropospheric circulations associated with western North Pacific and Atlantic tropical cyclones are similar; (2) more intense tropical cyclones have higher tropopauses around their centers; (3) more intense tropical cyclones have higher tropopauses on the anticyclonic-shear side of their outflow jets, which indicate that the more intense tropical cyclones have stronger outflow channels than less intense systems; (4) tropical cyclones that intensify (do not intensify) are within 10 deg (15 deg) latitude of weak (strong) upper-tropospheric troughs that are moderately rich (very rich) in total ozone; and (5) tropical cyclones turn to the left (right) when they move within approximately 15 deg latitude downstream of an ozone-poor (ozone-rich) upper-tropospheric ridge (trough).

Stout, John↗
NASA NTRS1993

Three-dimensional shielding effects on charged particle fluences measured in the P0006 experiment of LDEF

Three-dimensional shielding effects on cosmic ray charged particle fluences were measured with plastic nuclear track detectors in the P0006 experiment on Long Duration Exposure Facility (LDEF). The azimuthal and polar angle distributions of the galactic cosmic ray particles (mostly relativistic iron) were measured in the main stack and in four side stacks of the P0006 experiment, located on the west end of the LDEF satellite. A shadowing effect of the shielding of the LDEF satellite is found. Total fluence of stopping protons was measured as a function of the position in the main and side stacks of the P0006 experiment. Location dependence of total track density is explained by the three-dimensional shielding model of the P0006 stack. These results can be used to validate 3D mass model and transport code calculations and also for predictions of the outer radiation environment for the Space Station Freedom.

Csige, I.↗
NASA NTRS2004

Florida Thunderstorms: A Faucet of Reactive Nitrogen to the Upper Troposphere

During the NASA Cirrus Regional Study of Tropical Anvils and Cirrus Layers-Florida Area Cirrus Experiment (CRYSTAL-FACE) enhanced mixing ratios of nitric oxide were measured in the anvils of thunderstorms and in clear air downwind of storm systems on flights of a Wl3-57F high-altitude aircraft. Mixing ratios greater than l0 - 20 times background were readily observed over distances of 25-120 km due to lightning activity. In many of the Florida storms deposition of NO occurred up to near the tropopause but major deposition usually occurred 1 - 2 km below the tropopause, or mostly within the visible anvil volume formed prior to storm decay. Observations from two storms of very different anvil size and electrical activity allowed estimates of the total mass of NO, vented to the middle and upper troposphere. Using the cloud-to ground (CG) flash accumulations from the National Lightning Detection Network, climatological intra-cloud (IC) to CG ratios, and assuming that CG and IC flashes were of equivalent efficiency for NO production, the ranges of production per flash for a moderate-sized and a large storm were (0.51 - 1.0) x l0(exp 26) and (2.3 - 3.1) x 10(exp 26) molecules NO/flash, respectively. Using the recently determined average global flash rate of 44 8, a gross extrapolation of these two storms to represent possible global annual production rates yield 1.6 - 3.2 and 7.3 - 9.9 Tg(N)/yr, respectively. If the more usual assumption is made that IC efficiency is l/l0th that of CG activity, the ranges of production for the moderate-sized and large storm were (1.3 - 2.7) x l0(exp 26) and (6.0 - 8.1) x l0(exp 26) molecules NO/CG flash, respectively. The estimates from the large storm may be high because there is indirect evidence that the IC/CG ratio was larger than would be derived from climatology. These two storms and others studied did not have flash rates that scaled as approx. H(sup 5) where H is the cloud top altitude. The observed CG flash accumulations and NO(x) mass production estimate for the month of July over the Florida area were compared with a representative 3D global Chemistry-Transport Model (CTMJ that uses the Price et al. lightning parameterization. For two land grid points representing the Florida peninsula the model compared well with the observations: CG flash rates were low by only a factor of approx. 2. When the model grid points included the coastal regions of Florida the flash accumulations were lower than observed by a factor of 3.4 - 4.6. It is recommended that models using the Price et al. parameterization allow any global coastal grid point to maintain the land rather than the marine flash rate parameterization. The convection in this CTM underestimated the actual cloud top heights over Florida by 1 - 2 km and thus the total lightning flash rates and the altitude range of reactive nitrogen deposition. Broad scale (20 - 120 km) median mixing ratios of NO within anvils over Florida were significantly larger than in storms previously investigated over Colorado and New Mexico.

Ridley, B.↗
NASA NTRS2014

Geant4 Predictions of Energy Spectra in Typical Space Radiation Environment

Accurate knowledge of energy spectra inside spacecraft is important for protecting astronauts as well as sensitive electronics from the harmful effects of space radiation. Such knowledge allows one to confidently map the radiation environment inside the vehicle. The purpose of this talk is to present preliminary calculations for energy spectra inside a spherical shell shielding and behind a slab in typical space radiation environment using the 3D Monte-Carlo transport code Geant4. We have simulated proton and iron isotropic sources and beams impinging on Aluminum and Gallium arsenide (GaAs) targets at energies of 0.2, 0.6, 1, and 10 GeV/u. If time permits, other radiation sources and beams (_, C, O) and targets (C, Si, Ge, water) will be presented. The results are compared to ground-based measurements where available.

Sabra, M. S.↗
NASA NTRS2015

Level-Set Topology Optimization with Aeroelastic Constraints

Level-set topology optimization is used to design a wing considering skin buckling under static aeroelastic trim loading, as well as dynamic aeroelastic stability (flutter). The level-set function is defined over the entire 3D volume of a transport aircraft wing box. Therefore, the approach is not limited by any predefined structure and can explore novel configurations. The Sequential Linear Programming (SLP) level-set method is used to solve the constrained optimization problems. The proposed method is demonstrated using three problems with mass, linear buckling and flutter objective and/or constraints. A constraint aggregation method is used to handle multiple buckling constraints in the wing skins. A continuous flutter constraint formulation is used to handle difficulties arising from discontinuities in the design space caused by a switching of the critical flutter mode.

Dunning, Peter D.↗
NASA NTRS2017

Neutron Angular Scatter Effects in 3DHZETRN: Quasi-Elastic

The current 3DHZETRN code has a detailed three dimensional (3D) treatment of neutron transport based on a forward/isotropic assumption and has been compared to Monte Carlo (MC) simulation codes in various geometries. In most cases, it has been found that 3DHZETRN agrees with the MC codes to the extent they agree with each other. However, a recent study of neutron leakage from finite geometries revealed that further improvements to the 3DHZETRN formalism are needed. In the present report, angular scattering corrections to the neutron fluence are provided in an attempt to improve fluence estimates from a uniform sphere. It is found that further developments in the nuclear production models are required to fully evaluate the impact of transport model updates. A model for the quasi-elastic neutron production spectra is therefore developed and implemented into 3DHZETRN.

Wilson, John W.↗
NASA NTRS2019

Effects of the Serber First Step in 3DHZETRN-v2.1

3DHZETRN-v2 includes a detailed three dimensional (3D) treatment of neutron/light-ion transport based on a quasi-elastic/multiple-production assumption allowing improved agreement of the neutron/light-ion fluence compared with results of three Monte Carlo (MC) codes in the sense that the variance with respect to the individual MC results is less than the variance among the MC code results. The current numerical methods are no longer the main limitation to HZETRN code development and further changes in the nuclear model are required. In a prior study, an improved quasi-elastic spectrum based on a solution of the transport approximation to nuclear media effects showed promise, but the remaining multiple-production spectrum was based on a database derived from the Ranft model that used Bertini multiplicities. In the present paper, we will implement a more complete Serber first step into the 3DHZETRN-v2 code, but we retain the Bertini-Ranft branching ratios and evaporation multiplicities. It is shown that the new Serber model in the 3HZETRN-v2 code reduces the variance with individual MC codes, which are largely due to nuclear cross section model differences.

Wilson, John W.↗
DOE OSTI2025

Automated Direct Perturbation Calculations with SCALE TSUNAMI [Abstract]

In nuclear criticality safety analysis, the sensitivity of the eigenvalue keff to uncertainties in nuclear data and its evaluation are crucial. The TSUNAMI sequences within the SCALE code system offer users various options with both multigroup (MG) and continuous-energy (CE) 3D Monte Carlo (MC) transport capabilities for calculating keff sensitivity coefficients and storing them in a sensitivity data file (SDF). Each methodology available in TSUNAMI offers distinct advantages and limitations, and its effectiveness can vary based on the specific problem being solved. As a best practice, practitioners typically use the direct perturbation (DP) method as a confirmatory step alongside their sensitivity calculations to verify the accuracy of the sensitivity data generated. In this process, DP calculations are usually performed on select nuclides, those considered most important for validating their total sensitivities. However, because of code limitations, analysts use a workaround method when conducting DP calculations for a single nuclide: rather than perturbing the nuclide's microscopic cross section, an equivalent number density for this nuclide is calculated to reflect the effect of a change in the macroscopic cross section due to a perturbation in the microscopic cross section. The current approach requires rerunning the CSAS criticality calculation several times with model changes. Although this method can yield results with acceptable accuracy, it is labor-intensive and prone to errors.

AZURE: SAMMY↗
DOE OSTI2024

Erosion and impurity transport for the edge localized mode suppression window in KSTAR

A 3D analysis of plasma wall interactions and global impurity transport for the edge localized mode suppression window in KSTAR during H-Mode discharges has shown that carbon erosion at the divertor plates is a strong function of the resonant magnetic perturbation (n = 1) coil current and relative phasing. The Generalized Perturbation Equilibrium Code was used to determine a realistic initial perturbed plasma equilibrium, and EMC3-EIRENE was used to calculate the resulting scrape-off layer plasma used in this study as a fixed background for the ERO2.0 plasma–material interaction model. The resulting transport leads to deposition of impurities along the targets positioned at the high-field side of the device. An attempt at calculating the resulting effective charge state has demonstrated a similar dependence on the perturbation coil current and has been able to determine a window for the experimentally observed values of Zeff by including contributions of all ionized carbon charge states and deuterium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Characteristics of 3-D transport simulations of the stratosphere and mesosphere

A 3D mechanistic, primitive-equation model of the stratosphere and mesosphere is coupled to an offline spectral transport model. The dynamics model is initialized with and forced by observations so that the coupled models may be used to study specific episodes. Results are compared with those obtained by transport online in the dynamics model. Although some differences are apparent, the results suggest that coupling of the models to a comprehensive photochemical package will provide a useful tool for studying the evolution of constituents in the middle atmosphere during specific episodes.

Fairlie, T. D. A.↗
DOE OSTI2020

Anomalous Transport in Three-Dimensional Discrete Fracture Networks: Interplay Between Aperture Heterogeneity and Injection Modes

In this work, we study how the interplay between fracture aperture heterogeneity and tracer injection mode controls fluid flow and tracer transport in three-dimensional (3D) discrete fracture networks (DFNs). The direct 3-D DFN simulations show that tracer injection mode has substantial effects on tracer spreading across all levels of aperture heterogeneity. The key controlling factor for effective transport is the initial Lagrangian velocity distribution, which is determined by the interplay between injection mode and aperture heterogeneity. The fundamental difference between initial Lagrangian velocity distribution and domain-scale Eulerian velocity distribution plays a vital role in determining anomalous transport. We effectively capture the observed anomalous transport using an upscaled transport model that incorporates initial velocity distribution, stationary velocity distribution, velocity correlation length, and average advective tortuosity. With the upscaled transport model, we accurately capture the evolution of Lagrangian velocity distribution and predict longitudinal spreading in 3-D DFN.

58 GEOSCIENCES↗
DOE OSTI2023

Transition in particle transport under resonant magnetic perturbations in a tokamak

Abstract Nonlinear 3D MHD simulations and validations reveal that the hybrid particle-MHD transport is a key process for driving the pump-out in the presence of Resonant Magnetic Perturbations (RMPs) in the KSTAR tokamak. Particle transport and the resulting density pump-out by RMPs are shown to be composed of not only the classical flow convection near magnetic islands due to polarization but also the neoclassical ion diffusion across perturbed magnetic surfaces. The latter is known as the Neoclassical Toroidal Viscosity (NTV) and is integrated into nonlinear MHD simulations here for the first time, revealing that the two-stage pump-outs observed in KSTAR experiments are reproduced only with such integrated nonlinear MHD and transport evolution. Near-resonant responses, which have received less attention than the resonant response, play distinct roles in the pump-out along with the island formation. In addition, this modeling is used to investigate the pump-outs in double-null-like plasmas and numerically capture the effect of the double-null shape on the pump-outs, which may explain the difficulty of Edge Localized Mode (ELM) suppression access in double-like plasmas. This reveals new aspects of the impact toroidal geometry and mode coupling have on 3D physics and reveals the importance of near-resonant components in suppressing ELMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Active Control of Alfvén Eigenmodes by Externally Applied 3D Magnetic Perturbations

The suppression and excitation of Alfvén eigenmodes have been experimentally obtained, for the first time, by means of externally applied 3D perturbative fields with different spatial spectra in a tokamak plasma. The applied perturbation causes an internal fast-ion redistribution that modifies the phase-space gradients responsible for driving the modes, determining, ultimately their existence. Hybrid kinetic-magnetohydrodynamic simulations reveal an edge resonant transport layer activated by the 3D perturbative field as the responsible mechanism for the fast-ion redistribution. Finally, the results presented here may help to control fast-ion driven Alfvénic instabilities in future burning plasmas with a significant fusion born alpha particle population.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗