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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hanford Site Composite Analysis: Comparison of One- and Three-Dimensional Simulation of Vadose Zone Transport and Transfer to Groundwater for Selected Waste Sites

The purpose of this document is to compare 1D and 3D technetium-99 (Tc-99) VZ transport and transfer rates to groundwater for five selected waste sites (two tanks, two cribs, and one trench) to demonstrate the need to consider 3D flow and transport mechanisms and commingling of contaminant plumes originating from adjacent waste sites. The waste sites selected for the comparison evaluation are the 241-A-105 Tank in the A Farms Area model, the 216-B-18 Crib and the 216-B-25 Trench in the BC Cribs and Trenches model, the 216-B-49 Crib in the B Complex model, and the 241-SX-115 Tank in the S Farms Area model. The selected waste sites all represent different disposal or leak conditions, with and without potential impacts due to release-fluid commingling, occurring at the Hanford Site Central Plateau.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Hermes-3: Multi-component plasma simulations with BOUT++

A new open source tool for fluid simulation of multi-component plasmas is presented, based on a flexible software design that is applicable to scientific simulations in a wide range of fields. Hermes-3 is built on plasma simulation framework BOUT++, consolidating earlier SD1D and Hermes models into a single code that can be configured at run-time to solve plasma models in 1D, 2D or 3D, either for transport (steady-state) or turbulent (time-evolving) problems, with an arbitrary number of ion and neutral species. Here, we describe the improved numerical algorithms and software design that have been implemented in Hermes-3. To demonstrate the capabilities of this tool, applications relevant to the boundary of tokamak plasmas are presented: 1D simulations of diveror plasmas evolving equations for all charge states of neon and deuterium; 2D transport simulations of tokamak equilibria in single-null X-point geometry with plasma ion and neutral atom species; and simulations of the time-dependent propagation of plasma filaments (blobs). Hermes-3 is publicly available on Github under the GPL-3 open source license. The repository includes documentation and a suite of unit, integrated and convergence tests.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Large Polaron Screening Delays Mobility Roll-Off in Halide Perovskites under High Injection

The interplay between carrier density regimes and the various scattering processes is fundamental for understanding charge transport efficiency in high-performance semiconductors. Combining ultrafast time-resolved terahertz spectroscopy (TRTS) and transient microwave photoconductivity (TRMC), we measure carrier mobilities over 7 orders of magnitude (10 13 –10 20 carriers cm –3 ), reaching a regime where carrier–carrier scattering dominates and mobility begins to roll off. We find the Caughey–Thomas model can be effectively employed for transport modeling in 3D metal halide perovskites (MHPs), and the mobility roll-off near ∼10 19 cm –3 can be tuned by MHP composition. Carrier lifetime in MHPs starts decreasing at much lower carrier densities due to interband multi-carrier recombination, while intraband carrier mobility remains unchanged as carrier–carrier scattering is screened by the presence of polarons. The validated Caughey–Thomas model provides a practical input for device simulations, prevents overestimation of diffusion length under high injection, and suggests that MHPs are excellent candidates for unipolar device applications under high carrier densities.

14 SOLAR ENERGY↗
DOE OSTI2020

Development of the MPACT 69-group Library for Magnox Reactor Analysis using CASL VERA

The Consortium for Advanced Simulation of Light Water Reactors (CASL) has developed the CASL toolset, Virtual Environment for Reactor Analysis (VERA), for pressurized water reactor (PWR) analysis. Recently the CASL VERA was improved for Magnox reactor analysis, which required the development of a new cross section library and new geometrical and thermal feedback capabilities for graphite-moderated Magnoxreactors. The MPACT neutronics module of the CASL core simulator is a 3D whole core transport code, which requires a new cross section library with a different energy group structure due to the different neutronic characteristics of Magnox compared with PWR. A new 69-group structure was developed based on the MPACT 51-group structure to have more thermal energy groups and to be a subset of the SCALE 252-group structure. The ENDF/B-VII.1 MPACT 69-group library was developed for Magnox reactor analysis using the SCALE/AMPX and VERA-XSTools for which a super-homogenization method was applied, and transport cross sections were generated for graphite using a neutron leakage conservation method. Benchmark results show that new MPACT 69-group library works reasonably well for Magnox reactor analysis.

Kim, Kang Seog↗
DOE OSTI2021

RF sheath induced sputtering on Proto-MPEX. I. Sheath equivalent dielectric layer for modeling the RF sheath

The pulsed linear plasma device Prototype Material Plasma Exposure eXperiment (Proto-MPEX) uses a radio frequency (RF) helicon antenna with an aluminum nitride ceramic window for plasma production. The RF sheath created under the helicon antenna is sufficient to cause ion impact energies to be greater than the sputtering threshold of the AlN helicon window material and for impurities to be created. In this study, we investigate the RF sheath on the inner diameter of the helicon window and its impact on the impurity production rates in Proto-MPEX. Three models—a 3D COMSOL finite element RF model of the Proto-MPEX helicon region, a rectified DC sheath potential model, and the 3D Global Impurity TRansport code—are coupled together to study impurity production and transportation. This novel method of impurity generation and transport modeling spans length scales ranging from the sheath (millimeters or less) up to the full device (meters) and can be applied to other radio frequency sources and antennas in a wide range of plasma physics studies, including basic plasmas, low-temperature processing plasmas, plasma thrusters, and fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Bolometer tomography on Wendelstein 7-X for study of radiation asymmetry

The algorithm for bolometer tomography at Wendelstein 7-X (W7-X) has been recently improved using a novel regularization functional, based on relative gradient smoothing (RGS) of the sought radiation profile. It has been validated using radiation patterns provided by 3D modeling under real plasma conditions as phantoms and then applied to bolometer measurements performed during the first divertor operation phase of W7-X. The following results are presented: 1) edge-localized 2D radiation patterns with clearly resolved magnetic island radiation structures, 2) an up-down asymmetry in the impurity radiation that is not captured by the 3D edge plasma transport modeling, 3) reversal of the asymmetry with reversed magnetic field direction. Further analysis reveals a poloidal variation of the emissivity in the outer confined plasma region with a field-direction dependent asymmetry, also supported by the soft X-ray measurements. This asymmetry is considered to be related to asymmetric impurity distributions, driven by the pronounced ion-impurity friction force at the plasma edge where the collisionality of the W7-X plasma is sufficiently high to develop impurity asymmetry as predicted by neoclassical theory of parallel impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

The dynamics of the HSCT environment

Assessments of the impact of aircraft engine exhausts on stratospheric ozone levels are currently limited to 2D zonally-averaged models which, while completely representing chemistry, involve high parameterization of transport processes. Prospective 3D models under development by NASA-Goddard will use winds from a data-assimilation procedure; the upper troposphere/lower stratosphere behavior of one such model has been verified by direct comparison of model simulations with satellite, balloon, and sonde measurements. Attention is presently given to the stratosphere/troposphere exchange and nonzonal distribution of aircraft engine exhaust.

Douglass, Anne R.↗
NASA NTRS1993

The effects of the October 1989 solar proton events on the stratosphere as computed using a three-dimensional model

In an effort to better characterize the interhemispheric difference in the ozone depletion observed as a result of the very large solar proton events (SPEs) of October 19-27, 1989, NASA-Goddard's 3D chemistry and transport model has been used to simulate the distribution of NO(x) and ozone after the SPEs. Differences in the constituent behavior of the two hemispheres are seen as due to substantial mixing of perturbed air in the Southern Hemisphere from the polar region with unperturbed lower latitude air during the final November warming, in conjunction with confinement of the photochemically perturbed air in the Northern Hemisphere in the wintertime polar vortex.

Jackman, Charles H.↗
NASA NTRS1992

A three-dimensional model simulation of atmospheric nitrous oxide

The NASA Langley 3D GCM chemical transport model is used to investigate the distribution of atmospheric N2O up to 60 km altitude. The transport characteristics of the model is evaluated without the complications of a detailed chemical formulation for all of the relevant stratospheric minor constituents. Interpretation of the yearly average zonal mean N2O distribution in terms of transport by the yearly averaged meridional circulation and stratospheric photochemical loss indicates large regions in the Northern Hemisphere stratosphere where dynamical mixing apparently plays a large role in maintaining the N2O distribution. In these regions, slopes of the N2O mixing ratio isopleths are maintained by competition between advection by the meridional circulation acting to steepen and dynamical mixing acting to flatten the slopes.

Turner, R. E.↗
NASA NTRS1993

Cross-stiffened continuous fiber structures

Under NASA's Novel Composites for Wing and Fuselage Applications (NCWFA) program, Contract NAS1-18784, Grumman is evaluating the structural efficiency of graphite/epoxy cross-stiffened panel elements fabricated using innovative textile preforms and cost effective Resin Transfer Molding (RTM) and Resin Film Infusion (RFI) processes. Two three-dimensional woven preform assembly concepts have been defined for application to a representative window belt design typically found in a commercial transport airframe. The 3D woven architecture for each of these concepts is different; one is vertically woven in the plane of the window belt geometry and the other is loom woven in a compressed state similar to an unfolded eggcrate. The feasibility of both designs has been demonstrated in the fabrication of small test element assemblies. These elements and the final window belt assemblies will be structurally tested, and results compared.

Ewen, John R.↗
NASA NTRS1999

Observations of Middle Atmosphere CO from the UARS ISAMS during the Early Northern Winter 1991/92

Structure and kinematics of carbon monoxide in the upper stratosphere and lower mesosphere (10-0.03 hPa) are studied for the early northern winter 1991/92 using the Upper Atmosphere Research Satellite Improved Stratospheric and Mesospheric Sounder (ISAMS) measurements. The study is aided by data from a 6-week parameterized-chemistry run of the Goddard Space Flight Center 3D Chemistry and Transport Model (CTM), initialized on 8 December 1991. Generally, CO mixing ratios increase with height due to the increasing source contribution from CO, photolysis. In the tropical upper stratosphere. however, a local maximum in CO mixing ratio occurs. A simple photochemical model is used to show that this feature results largely from methane oxidation. In the extratropics the photochemical lifetime of CO is long, and therefore its evolution is dictated by large-scale motion of air. evidenced by strong correlation with Ertel potential vorticity. This makes CO one of the few useful observable tracers at the stratopause level and above. Thus CO maps are used to study the synoptic evolution of the polar vortex in early January 1992. Modified Lagrangian mean mixing diagnostics are applied to ISAMS and CTM data to examine the strength of the mixing barrier at the polar vortex edge. It is demonstrated that planetary wave activity weakens the barrier. promoting vortex erosion. The vortex erosion first appears in the lower mesosphere and subsequently descends through the upper stratosphere. and is attributed to effects of planetary wave dissipation. Agreement between ISAMS and CTM is good in the horizontal distribution of CO throughout the examined period, but vertical CO gradients in the CTM weaken with time relative to the ISAMS observations.

Allen, D. R.↗
NASA NTRS1999

The Upper Atmosphere Research Satellite: From Coffee Table Art to Quantitative Science

The Upper Atmosphere Research Satellite (UARS) has provided an unprecedented set of observations of constituents of the stratosphere. When used in combination with data from other sources and appropriate modeling tools, these observations are useful for quantitative evaluation of stratospheric photochemical processes. This is illustrated by comparing ozone observations from airborne Differential Absorption Lidar (DIAL), from the Polar Ozone and Aerosol Measurement (POAM), from the Microwave Limb Sounder (MLS), and from the Halogen occultation Experiment (HALOE) with ozone fields generated with a three dimensional model. For 1995-96, at polar latitudes, observations from DIAL flights on December 9 and January 30, and POAM and MLS between late December and late January are compared with ozone fields from the GSFC 3D chemistry and transport model. Data from the three platforms consistently show that the observed ozone has a negative trend relative to the modeled ozone, and that the trend is uniform in time between early and mid winter, with no obvious dependence on proximity to the vortex edge. The importance of chlorine catalyzed photochemistry to this ozone loss is explored by comparing observations from MLS and HALOE with simulations for other northern winters, particularly 1997-98.

Douglass, Anne R.↗
NASA NTRS1998

Model Simulations of Ozone in the Summer Lower Stratosphere

The Goddard 3D chemistry and transport model (CTM) uses winds and temperatures from the Goddard Earth Observing System Data Assimilation System (GEOS DAS); thus CTM simulations can be compared directly with observations from satellite, balloon and aircraft. In general, aspects of these comparisons show remarkable agreement between observation and model. One significant difference is that the model ozone is high biased below the ozone peak. The bias is apparently largest at high latitudes during the summer months. At the same time, comparisons with HALOE observations show that at mid to high latitudes, the ozone mixing ratio peak appears persistently at a lower altitude than observed by HALOE; the peak mixing ratio is also overestimated by the model. Both transport and photochemistry are possible contributors to the biased ozone in the lower stratosphere - excessive downward motion would increase lower stratospheric ozone, as would a too large vertical gradient in ozone. On the other hand, comparisons of model N2O and NOy with observations suggest transport deficiencies in the opposite sense, i.e., model N2O can be high relative to observations (particularly during winter), suggesting the need for stronger downward transport. Sensitivity studies have been carried out using parameterizations for ozone production and loss, NOy production and loss, and N2O loss. The goal of these studies is to clarify how problems in the photochemical scheme at and above the ozone peak influence the lower stratospheric ozone.

Douglass, Anne R.↗
NASA NTRS2001

Sources of Variability in the Stratospheric Column of Nitrogen Dioxide

Instruments such as the Global Ozone Monitoring Experiment (GOME, on the European Remote Sensing Satellite (ERS-2), launched 1995), the Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY, on ENVISAT, to be launched July 2001) and the Ozone Monitoring Instrument (OMI on EOS Aura, to be launched 2003) make measurements of the total column of NO2. There is interest in separating the stratospheric and tropospheric contributions to the column, as the tropospheric column provides a measure of pollution. We are using a 3D chemistry and transport model driven by winds from the Goddard Space Flight Center Data Assimilation System to examine variability in the stratospheric NO2 column. Model results for NOx = NO + NO2 + 2N2O5 will be shown to compare well with sunset observations from the Halogen Occultation Experiment on the Upper Atmosphere Research Satellite, and to exhibit similar temporal and spatial dependence. Partitioning between NO, NO2, and N2O5 is also shown to compare well with observations. This good agreement supports the use of simulated fields in the stratosphere to derive the tropospheric column from the total column. Preliminary comparisons of the tropospheric column with model simulations for the troposphere will also be shown.

Douglass, Anne↗
NASA NTRS2011

A Global Climatology of Tropospheric and Stratospheric Ozone Derived from Aura OMI and MLS Measurements

A global climatology of tropospheric and stratospheric column ozone is derived by combining six years of Aura Ozone Monitoring Instrument (OMI) and Microwave Limb Sounder (MLS) ozone measurements for the period October 2004 through December 2010. The OMI/MLS tropospheric ozone climatology exhibits large temporal and spatial variability which includes ozone accumulation zones in the tropical south Atlantic year-round and in the subtropical Mediterranean! Asia region in summer months. High levels of tropospheric ozone in the northern hemisphere also persist in mid-latitudes over the eastern North American and Asian continents extending eastward over the Pacific Ocean. For stratospheric ozone climatology from MLS, largest ozone abundance lies in the northern hemisphere in the latitude range 70degN-80degN in February-April and in the southern hemisphere around 40degS-50degS during months August-October. The largest stratospheric ozone abundances in the northern hemisphere lie over North America and eastern Asia extending eastward across the Pacific Ocean and in the southern hemisphere south of Australia extending eastward across the dateline. With the advent of many newly developing 3D chemistry and transport models it is advantageous to have such a dataset for evaluating the performance of the models in relation to dynamical and photochemical processes controlling the ozone distributions in the troposphere and stratosphere.

Ziemke, J.R.↗
NASA NTRS2008

Modeling of the Ablation of Fibrous Materials in the Knudsen Regime

During atmospheric entry of planetary probes, the thermal protection system (TPS) of the probe is exposed to high temperatures under low pressures. In these conditions, carbonous TPS materials undergo gasification in the Knudsen regime leading to mass loss and wall recession called ablation. This work aims to improve the understanding of materiaVenvironment interactions through a study of the coupling between carbon dioxide transport in the Knudsen regime, heterogeneous oxidation of carbon, and sutface recession. A 3D Monte-Carlo simulation tool is used for this study. The fibrous architecture of the materiils, consisting of high porosity random array of carbon fibers, is numerically reproduced on a 3D Cartesian grid. Mass transport in the Knudsen regime from the boundary layer to the surface, and inside this porous material is simulated by random walk. A reaction probability is used to simulate the heterogeneous oxidation reaction. The surface recession is followed by front tracking using a simplified marching cube approach. The output data of the simulations are ablation velocity and dynamic evolution of the material porosity. A parametric study is carried out to analyze the material behavior as a function of Knudsen number for the porous media (length of the mean free path compared to the mean pore diameter) and the intrinsic reactivity of the carbon fibers. The results enable extrapolation of laboratory experimental data to actual entry conditions.

Lachaud, J.↗
NASA NTRS2008

Multiscale Modeling of Ablation and Pyrolysis in PICA-Like materials

During atmospheric entry of planetary probes, the thermal protection system (TIPS) of the probe is exposed to high temperatures under low pressures. In these conditions, carbonous fibrous TIPS materials may undergo oxidation leading to mass loss and wall recession called ablation. This work aims to improve the understanding of material/environment interactions through a study of the coupling between oxygen transport in the Knudsen regime, heterogeneous oxidation of carbon, and surface recession. A 3D Random Walk Monte Carlo simulation tool is used for this study. The fibrous architecture of a model material, consisting of high porosity random array of carbon fibers, is numerically represented on a 3D Cartesian grid. Mass transport in the Knudsen regime from the boundary layer to the surface, and inside this porous material is simulated by random walk. A reaction probability is used to simulate the heterogeneous oxidation reaction. The surface recession of the fibers is followed by front tracking using a simplified marching cube approach. The output data of the simulations are ablation velocity and dynamic evolution of the material porosity. A parametric study is carried out to analyze the material behavior as a function of Knudsen number for the porous media (length of the mean free path compared to the mean pore diameter) and the intrinsic reactivity of the carbon fibers. The model is applied to Stardust mission reentry conditions and explains the unexpected behavior of the TIPS material that underwent mass loss in volume.

Lachaud, Jean↗
DOE OSTI2022

Dual–Interface–Reinforced Flexible Perovskite Solar Cells for Enhanced Performance and Mechanical Reliability

Two key interfaces in flexible perovskite solar cells (f-PSCs) are mechanically reinforced simultaneously: one between the electron-transport layer (ETL) and the 3D metal-halide perovskite (MHP) thin film using self-assembled monolayer (SAM), and the other between the 3D-MHP thin film and the hole-transport layer (HTL) using an in situ grown low-dimensional (LD) MHP capping layer. The interfacial mechanical properties are measured and modeled. This rational interface engineering results in the enhancement of not only the mechanical properties of both interfaces but also their optoelectronic properties holistically. As a result, the new class of dual-interface-reinforced f-PSCs has an unprecedented combination of the following three important performance parameters: high power-conversion efficiency (PCE) of 21.03% (with reduced hysteresis), improved operational stability of 1000 h T90 (duration at 90% initial PCE retained), and enhanced mechanical reliability of 10 000 cycles n88 (number of bending cycles at 88% initial PCE retained). Furthermore, the scientific underpinnings of these synergistic enhancements are elucidated.

14 SOLAR ENERGY↗