Results for “transport models” — Page 73

NASA NTRS2018

Comparison of CFD and DSMC Using Calibrated Transport Parameters

Hypersonic re-entry flows span a wide range of length scales where regions of both rarefied and continuum flow exist. Traditional computational fluid dynamics (CFD) techniques do not provide an accurate solution for the rarefied regions of such ‘mixed’ flow fields. Although direct simulation Monte Carlo (DSMC) can be used to accurately capture both the continuum and rarefied features of ‘mixed’ flow fields, they are computationally expensive when employed to simulate the low Knudsen number continuum regimes. Thus, a hybrid framework for seamlessly combining the two methodologies, CFD and DSMC, continues to be a topic of significant research effort. Ensuring consistency in the reaction kinetics and transport models employed within CFD and DSMC is a crucial requirement for obtaining a reliable solution from a hybrid framework for combined continuum/rarefied high speed flows. This paper represents one of the first studies to utilize the calibrated transport parameters developed to ensure consistency between CFD and DSMC solvers. The new variable soft sphere (VSS) parameters are compared to both previous “standard” variable hard sphere (VHS) parameters and also to solutions from the CFD transport properties that the new parameters were developed to reproduce.

Liechty, D. S.↗

NASA NTRS2007

Development of a Reactor Model for Chemical Conversion of Lunar Regolith

Lunar regolith will be used for a variety of purposes such as oxygen and propellant production and manufacture of various materials. The design and development of chemical conversion reactors for processing lunar regolith will require an understanding of the coupling among the chemical, mass and energy transport processes occurring at the length and time scales of the overall reactor with those occurring at the corresponding scales of the regolith particles. To this end, a coupled transport model is developed using, as an example, the reduction of ilmenite-containing regolith by a continuous flow of hydrogen in a flow-through reactor. The ilmenite conversion occurs on the surface and within the regolith particles. As the ilmenite reduction proceeds, the hydrogen in the reactor is consumed, and this, in turn, affects the conversion rate of the ilmenite in the particles. Several important quantities are identified as a result of the analysis. Reactor scale parameters include the void fraction (i.e., the fraction of the reactor volume not occupied by the regolith particles) and the residence time of hydrogen in the reactor. Particle scale quantities include the time for hydrogen to diffuse into the pores of the regolith particles and the chemical reaction time. The paper investigates the relationships between these quantities and their impact on the regolith conversion. Application of the model to various chemical reactor types, such as fluidized-bed, packed-bed, and rotary-bed configurations, are discussed.

Hedge, uday↗

NASA NTRS2009

Development of a Reactor Model for Chemical Conversion of Lunar Regolith

Lunar regolith will be used for a variety of purposes such as oxygen and propellant production and manufacture of various materials. The design and development of chemical conversion reactors for processing lunar regolith will require an understanding of the coupling among the chemical, mass and energy transport processes occurring at the length and time scales of the overall reactor with those occurring at the corresponding scales of the regolith particles. To this end, a coupled transport model is developed using, as an example, the reduction of ilmenite-containing regolith by a continuous flow of hydrogen in a flow-through reactor. The ilmenite conversion occurs on the surface and within the regolith particles. As the ilmenite reduction proceeds, the hydrogen in the reactor is consumed, and this, in turn, affects the conversion rate of the ilmenite in the particles. Several important quantities are identified as a result of the analysis. Reactor scale parameters include the void fraction (i.e., the fraction of the reactor volume not occupied by the regolith particles) and the residence time of hydrogen in the reactor. Particle scale quantities include the time for hydrogen to diffuse into the pores of the regolith particles and the chemical reaction time. The paper investigates the relationships between these quantities and their impact on the regolith conversion. Application of the model to various chemical reactor types, such as fluidized-bed, packed-bed, and rotary-bed configurations, are discussed.

Hegde, U.↗

DOE OSTI2023

Fourier coefficients of noninterdependent collective motions in heavy-ion collisions

Here, we present a scenario in heavy-ion collisions where different modes of collective motions are noninterdependent, driven by factorized actions in the created nuclear medium. Such physics mechanisms could each dominate at a distinct evolution stage, or coexist simultaneously. If the probability of particle emission is modulated by each nondependent collective motion with a single-harmonic Fourier expansion, the particle azimuthal distribution should be the product of all these expansions. Consequently, nonleading cross terms between collectivity modes appear, and their contributions to experimental observables could be significant. In particular, we argue that the chiral magnetic effect (CME) and elliptic flow can develop separately, with their convolution affecting the observable that is sensitive to the shear-induced CME. We will use the event-by-event anomalous-viscous fluid dynamics model to illustrate the effects of this scenario. Besides giving insights into searches for the CME, we also propose feasible experimental tests based on conventional flow harmonics, and demonstrate the emergence of nonleading cross terms with a multiphase transport model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Gap-filled meteorological data (2011-2020) and modeled potential evapotranspiration data from the KCOMTCRE2 WeatherUnderground weather station, from the East River Watershed, Colorado

This dataset is a gap-filled meteorological dataset (years 2011-2020) that includes modeled potential evapotranspiration from a station near the pumphouse on the East River (KCOMTCRE2 WeatherUnderground ) near the top of the ridge at the Pumphouse PLM wells. These datasets are useful as model inputs. The KOMTCRE2 station is located on Mt. Crested Butte in Colorado. More information can be found at: https://www.wunderground.com/dashboard/pws/KCOMTCRE2/table/2020-12-7/2020-12-7/daily. The purpose of this dataset is to use as input to hydrological and flow-reactive transport models as meteorological forcing. One attached file includes metadata files with definitions for all variables and units. Subsequent files include the same time series dataset, but aggregated and gap-filled at different time-stamp intervals. These include 5 minute time-series, 15 minute time-series, 30 minute time-series, 1 hour time-series, daily time-series, and hourly and daily modeled evapotranspiration.

54 ENVIRONMENTAL SCIENCES↗

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 NTRS2014

The GOddard SnoW Impurity Module (GOSWIM) for the NASA GEOS-5 Earth System Model: Preliminary Comparisons with Observations in Sapporo, Japan

The snow darkening module evaluating dust, black carbon, and organic carbon depositions on mass and albedo has been developed for the NASA Goddard Earth Observing System, Version 5 (GEOS-5) Earth System Model, as the GOddard SnoW Impurity Module (GOSWIM). GOSWIM consists of the snow albedo scheme from a previous study (Yasunari et al. 2011) with updates and a newly developed mass concentration scheme, using aerosol depositions from the chemical transport model (GOCART) in GEOS-5. Compared to observations at Sapporo, the numerical experiments, forced by observation-based meteorology and aerosol depositions from GOES-5, better simulated the seasonal migration of snow depth, albedos, and impurities of dust, BC, and OC in the snow surface. However, the magnitude of the impurities is underestimated, compared to the sporadic snow impurity measurements. Increasing the deposition rates of dust and BC could explain the differences on the snow darkening effect between observation and simulation. Ignoring BC deposition can possibly lead to an extension of snow cover duration in Sapporo for four days. Comparing the off-line GOSWIM and the GEOS-5 global simulations, we found that determining better local precipitation and deposition rates of the aerosols are key factors in generating better GOSWIM snow darkening simulation in NASA GEOS-5.

land surface processes↗

DOE OSTI2021

Copper Defects and Charge Collection in Cadmium Telluride Photovoltaic Devices

In CdTe photovoltaic devices, the CdTe layer must be doped with Cu to reduce its resistivity, increase carrier lifetime, and improve hole transport. However, the Cu concentration is typically very low around the interfaces and within the CdTe layer, making it difficult to determine the influence Cu has on charge transport at the nanoscale; Cu concentrations are difficult to detect due to low ionization probability of Cu atoms [1]. Here, we use synchrotron X-ray microscopy to probe the nanoscale distribution of Cu and correlate it to local charge collection in CdTe photovoltaic devices. We demonstrate Cu segregation around grain boundaries, and, using cross-section charge collection measurements and transport modelling, show recombination center concentration in the CdTe layer dictates the interface at which charge collection occurs. The work gives insights on how Cu distributes in CdTe photovoltaic systems, and an understanding of how these distributions affect charge transport.

Walker, Trumann↗

NASA NTRS1985

A diabatic circulation two-dimensional model with photochemistry - Simulations of ozone and long-lived tracers with surface sources

Numerous studies have been concerned with the possibility of a reduction of the stratospheric ozone layer. Such a reduction could lead to an enhanced penetration of ultraviolet (UV) radiation to the ground, and, as a result, to damage in the case of several biological processes. It is pointed out that the distributions of many trace gases, such as ozone, are governed in part by transport processes. The present investigation presents a two-dimensional photochemistry-transport model using the residual circulation. The global distribution of both ozone and components with ground sources computed in this model is in good agreement with the observations even though slow diffusion is adopted. The agreement is particularly good in the Northern Hemisphere. The results provide additional support for the idea that tracer transport in the stratosphere is mainly of advective nature.

Stordal, F.↗

DOE OSTI2020

Evaluation of a New Chemical Mechanism for 2-Amino-2-methyl-1-propanol in a Reactive Environment from CSIRO Smog Chamber Experiments

Amines are considered as an emerging class of atmospheric pollutants that are of great importance to atmospheric chemistry and new particle formation. As a typical amine, 2-amino-2-methyl-1-propanol (AMP) is one of the proposed solvents for capturing CO 2 from flue gas streams in amine-based post-combustion CO 2 capture plants, and it is expected to result in AMP emission and secondary products formation in the atmosphere. However, the current knowledge of its atmospheric chemistry and kinetics is poorly understood, particularly in a reactive environment. As such, in this work we used the CSIRO smog chamber to study the photo-oxidation of AMP in the presence of VOCs–NOx surrogate mixtures over a range of initial amine concentrations. O 3 formation was significantly inhibited when AMP was added to the surrogate VOCs–NOx mixtures, implying that AMP could alter known atmospheric chemical reaction pathways and the prevailing reactivity. Simultaneously, a large amount of AMP-derived secondary aerosol was formed, with a considerably high aerosol mass yield (i.e. ratio of aerosol formed to reacted AMP) of 1.06±0.20. Based on updated knowledge of its kinetics, oxidation pathways and product yields, we have developed a new mechanism (designated as CSIAMP-19) and integrated into the Carbon Bond 6 (CB6) chemical mechanism, and evaluated it against available smog chamber data. Compared with the existing AMP mechanism (designated as CarterAMP-08), the modified CB6 with CSIAMP-19 mechanism improves prediction against AMP–VOCs–NOx experiments across a range of initial AMP concentrations, within ±10% model error for gross ozone production. Our results contribute to scientific understanding of AMP photochemistry and to the development of the chemical mechanism of other amines. The updated AMP chemical reactions scheme can be further embedded into the chemical transport model for regional modelling scenarios where AMP-related emissions are of concern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1981

Approximate heating analysis for the windward-symmetry plane of Shuttle-like bodies at large angle of attack

An engineering method has been developed for computing the windward-symmetry plane convective heat-transfer rates on Shuttle-like vehicles at large angles of attack. The engineering code includes an approximate inviscid flowfield technique, laminar and turbulent heating-rate expressions, an approximation to account for the variable-entropy effects on the surface heating and the concept of an equivalent axisymmetric body to model the windward-ray flowfields of Shuttle-like vehicles at angles of attack from 25 to 45 degrees. The engineering method is validated by comparing computed heating results with corresponding experimental data measured on Shuttle and advanced transportation models over a wide range of flow conditions and angles of attack from 25 to 40 degrees and also with results of existing prediction techniques. The comparisons are in good agreement.

Zoby, E. V.↗

NASA NTRS1998

Implementation of a Parallel Kalman Filter for Stratospheric Chemical Tracer Assimilation

A Kalman filter for the assimilation of long-lived atmospheric chemical constituents has been developed for two-dimensional transport models on isentropic surfaces over the globe. An important attribute of the Kalman filter is that it calculates error covariances of the constituent fields using the tracer dynamics. Consequently, the current Kalman-filter assimilation is a five-dimensional problem (coordinates of two points and time), and it can only be handled on computers with large memory and high floating point speed. In this paper, an implementation of the Kalman filter for distributed-memory, message-passing parallel computers is discussed. Two approaches were studied: an operator decomposition and a covariance decomposition. The latter was found to be more scalable than the former, and it possesses the property that the dynamical model does not need to be parallelized, which is of considerable practical advantage. This code is currently used to assimilate constituent data retrieved by limb sounders on the Upper Atmosphere Research Satellite. Tests of the code examined the variance transport and observability properties. Aspects of the parallel implementation, some timing results, and a brief discussion of the physical results will be presented.

Chang, Lang-Ping↗

NASA NTRSDate not supplied

Modeling and Impact of Solar Energetic Particles in the Heliosphere and Geospace

Understanding the radiation environment due to solar energetic particles in the heliosphere and the Earth’s magnetosphere is a challenging and practically important task. Exposure to energetic particles often leads to malfunctions and unexpected failures of electronics onboard spacecraft. The most vulnerable are exploratory missions when outside of the Earth’s magnetosphere. Geomagnetic field deflects Solar Energetic Particles (SEPs) moving through geospace though some of these particles propagate to LEO and have a high penetrating capability, thus producing significant radiation hazards for human spaceflight. Solar energetic particles also have an essential effect on the composition and dynamics of the Earth’s atmosphere. Precipitating SEPs enhance the atmospheric concentration of NOx and HOx, which play a crucial role in the ozone balance in the middle atmosphere by destroying odd oxygen through catalytic reactions. Numerical modeling of the radiation environment due to SEPs in the inner heliosphere and geospace is a multifold problem. That includes simulating 1) solar wind dynamics and the interplanetary magnetic field, 2) global modeling of the Earth’s magnetosphere, and 3) modeling transport and acceleration of SEPs in the inner heliosphere and geospace. The lecture will outline the key physical processes that control the behavior of SEPs in the heliosphere and geospace, along with the contemporary numerical methods used for their modeling. It will primarily focus on describing the SEP population in geospace across different altitudes, ranging from Low Earth Orbit (LEO) through Medium Earth Orbit (MEO) and Geostationary Orbit (GEO), up to the magnetopause, while considering the realistic geomagnetic field. Additionally, the lecture will cover how the SEP population in geospace varies in response to geomagnetic activity. This includes the temporal trapping of SEPs in geospace and the reduction of the rigidity cutoff during geomagnetic storms.

solar energetic particles↗

DOE OSTI2022

Reduced-order modeling of neutron transport separated in energy by Minimax Proper Generalized Decomposition

In this article, we demonstrate a Petrov-Galerkin Proper Generalized Decomposition (PGD) known as Minimax PGD for modeling neutron transport separated in energy. To compare the Minimax with the classical Galerkin PGD, we assess both on a model problem of UO{sub 2} or Mixed Oxide (MOX) fuel pins in an infinite lattice with 3 industry-standard energy meshes. We find the Minimax PGD achieves a superior decomposition to Galerkin PGD, both with and without update of the energy modes. This suggests Minimax PGD may be more computationally efficient, provided this reduction in modes (to achieve a given accuracy) outweighs the cost of solving the necessary adjoint problems. In either case, we note that PGD offers an a priori Reduced-Order Model (ROM) which may be dramatically cheaper to solve than the full-order model, especially in problems with fine to ultrafine energy meshes. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

A Novel Algorithm for CAD to CSG Conversion in McCAD

Modeling and simulation lie at the heart of the design process of any nuclear application. An accurate representation of the radiation environment ensures not only the feasibility of new technologies, but it also aids in operation, maintenance, and even decommissioning. With increasingly complex designs, high-fidelity models have become a necessity for design maturity. McCAD has been under development for many years at Karlsruhe Institute of Technology (KIT) to facilitate the process of generating suitable models for nuclear analyses. In this paper, an overview of the major advances in the new version of the code is presented. A novel conversion algorithm has proven to be robust in significantly reducing the processing time to generate radiation transport models, making it easier to iterate on design details. A first-of-a-kind capability to generate hierarchical void cells is also discussed with preliminary analysis showing performance gains for particle tracking.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1976

An evaluation of the method for determining the Whitham F-function using distributions of downwash and sidewash angles

The method of computing the Whitham F function using distributions of downwash and sidewash angles was evaluated with two different models. F functions which were calculated for a half angle cone cylinder at M infinites = 2.01, using theoretically and experimentally derived flow angles, show that the method is sensitive to small inaccuracies in the measured flow angles. An oblique wing transport model was tested at 0 deg angle of attack at M infinitely = 2.01. In this test, two different probes were used at two different distances from the model. The pressure signature derived from the F function was extrapolated and compared to the pressure signature measured at the distance of 0.87 body lengths with the static pressure probe. The agreement between the two pressure signatures was poor due to the many inaccuracies involved in using a probe designed to measure flow angularity.

Mendoza, J. P.↗

NASA NTRS2022

Cause of a Lower-Tropospheric High-Ozone Layer in Spring Over Hanoi

The ozonesonde observations in Hanoi, Vietnam, over fourteen years since 2004 have confirmed the enhancement in lower tropospheric ozone concentration at about 3 km altitude in the spring season. We investigated the evolution of the ozone enhancement from analysis of meteorological data, backward trajectories, and model sensitivity experiments. In spring, air masses over Hanoi exhibit strong height dependence. At 3km, the high-ozone air masses originate from the land area to the west of Hanoi, while low-ozone air masses below about 1.5 km are from the oceanic area to the east. Above 4 km, the air masses are mostly traced back to the farther west area. The chemical transport model simulations revealed that precursor emissions from biomass burning in the inland Indochina Peninsula have the largest contribution to the lower tropospheric ozone enhancement, which is transported upward and eastward and overhangs the clean air intrusion from the ocean to the east of Hanoi. At this height level, the polluted air has the horizontal extent of about 20 degrees in longitude and latitude. The polluted air observed in Hanoi is transported further east and widely spread over the northern Pacific Ocean.

tropospheric ozone↗

NASA NTRS2022

Cause of a Lower-Tropospheric High-Ozone Layer in Spring Over Hanoi

The ozonesonde observations in Hanoi, Vietnam, over fourteen years since 2004 have confirmed the enhancement in lower tropospheric ozone concentration at about 3 km altitude in the spring season. We investigated the evolution of the ozone enhancement from analysis of meteorological data, backward trajectories, and model sensitivity experiments. In spring, air masses over Hanoi exhibit strong height dependence. At 3km, the high-ozone air masses originate from the land area to the west of Hanoi, while low-ozone air masses below about 1.5 km are from the oceanic area to the east. Above 4 km, the air masses are mostly traced back to the farther west area. The chemical transport model simulations revealed that precursor emissions from biomass burning in the inland Indochina Peninsula have the largest contribution to the lower tropospheric ozone enhancement, which is transported upward and eastward and overhangs the clean air intrusion from the ocean to the east of Hanoi. At this height level, the polluted air has the horizontal extent of about 20 degrees in longitude and latitude. The polluted air observed in Hanoi is transported further east and widely spread over the northern Pacific Ocean.

Hanoi↗