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At least 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

On multidomain multiscale modeling and simulation of a novel partial pressure and temperature swing adsorptive reactor ($\mathrm{PPTSAR}$) with application to the water gas shift reaction

Here in this work, a dynamic, multidomain, multiscale model of a novel Partial Pressure and Temperature Swing Adsorptive Reactor (PPTSAR) Process is developed and simulated for a Water Gas Shift Reaction (WGSR) application. The proposed model couples the reactor wall, catalyst/adsorbent pellet, and fluid mixture domains at their respective scales to comprehensively model mass, momentum, and energy transport phenomena occurring within each domain. The resulting model elucidates the PPTSAR’s start-up, transient, and long-term, periodic, dynamic behavior, during both adsorption/reaction and desorption operating modes. In the WGSR application considered, the use of two PPTSARs is shown to allow continuous operation that delivers CO conversion greater than 95% with simultaneous complete CO 2 capture.

42 ENGINEERING↗
NASA NTRS1978

Monthly mean simulation experiments with a course-mesh global atmospheric model

Substitution of observed monthly mean sea-surface temperatures (SSTs) as lower boundary conditions, in place of climatological SSTs, failed to improve the model simulations. While the impact of SST anomalies on the model output is greater at sea level than at upper levels the impact on the monthly mean simulations is not beneficial at any level. Shifts of one and two days in initialization time produced small, but non-trivial, changes in the model-generated monthly mean synoptic fields. No improvements in the mean simulations resulted from the use of either time-averaged initial data or re-initialization with time-averaged early model output. The noise level of the model, as determined from a multiple initial state perturbation experiment, was found to be generally low, but with a noisier response to initial state errors in high latitudes than the tropics.

Spar, J.↗
NASA NTRSDate not supplied

Simulation and Modeling of Hypersonic Turbulent Boundary Layers Subject to Favorable Pressure Gradients due to Streamline Curvature

Direct numerical simulations (DNS) of favorable-pressure-gradient turbulent boundary layers are presented for a nominal freestream Mach number of 5, with the objective of assessing the limitations of the currently available Reynolds-averaged Navier-Stokes (RANS) models.The wall geometry and flow conditions of the DNS are representative of the experimental data for a Mach 4.9 turbulent boundary layer that was tested on a two-dimensional planar convexwall model in the high-speed blow-down wind tunnel located at the National Aerothermochemistry Laboratory at Texas A&M University. The favorable pressure gradient is induced bythe streamwise surface curvature. The DNS results will be compared with experimental measurements and RANS computations for the same flow conditions and wall geometry. The DNS datasets will also be analyzed to provide an improved physical understanding of hypersonic boundary-layer turbulence subject to mechanical nonequilibrium, including the validity of Morkovin’s hypothesis and the various available compressibility transformations, as well as to obtain turbulence statistics that are relevant to RANS modeling, including the distribution ofeddy viscosity, the budgets of turbulent kinetic energy and Reynolds stresses, and the velocity-temperature correlations. The RANS predictions will be obtained by using both the commonly used one- and two-equation models that assume a constant turbulent Prandtl number and an algebraic, variable Prandtl number model for the turbulent energy flux.

turbulent boundary layers↗
DOE OSTI2014

Fully three-dimensional simulation and modeling of a dense plasma focus

A dense plasma focus (DPF) is a pulsed-power machine that electromagnetically accelerates and cylindrically compresses a shocked plasma in a Z-pinch. The pinch results in a brief (~ 100 ns) pulse of X-rays, and, for some working gases, also a pulse of neutrons. A great deal of experimental research has been done into the physics of DPF reactions, and there exist mathematical models describing its behavior during the different time phases of the reaction. Two of the phases, known as the inverse pinch and the rundown, are approximately governed by magnetohydrodynamics, and there are a number of well-established codes for simulating these phases in two dimensions or in three dimensions under the assumption of axial symmetry. There has been little success, however, in developing fully three-dimensional simulations. In this work we present three-dimensional simulations of DPF reactions and demonstrate that three-dimensional simulations predict qualitatively and quantitatively different behavior than their two-dimensional counterparts. One of the most important quantities to predict is the time duration between the formation of the gas shock and Z-pinch, and the three-dimensional simulations more faithfully represent experimental results for this time duration and are essential for accurate prediction of future experiments.

Dense plasma focus, magnetohydrodynamics, simulati↗
DOE OSTI2019

A top-down assessment using OMI NO 2 suggests an underestimate in the NO x emissions inventory in Seoul, South Korea, during KORUS-AQ

Abstract. In this work, we investigate the NO x emissions inventory inSeoul, South Korea, using a regional ozone monitoring instrument (OMI) NO 2 product derived from the standard NASA product. We first develop a regional OMI NO 2 product by recalculating the air mass factors using a high-resolution (4 km × 4 km) WRF-Chem model simulation, which better captures the NO 2 profile shapes in urban regions. We then apply a model-derived spatial averaging kernel to further downscale the retrieval and account for the subpixel variability. These two modifications yield OMI NO 2 values in the regional product that are1.37 times larger in the Seoul metropolitan region and >2 times larger near substantial point sources. These two modifications also yield an OMI NO 2 product that is in better agreement with the Pandora NO 2 spectrometer measurements acquired during the South Korea–United States Air Quality (KORUS-AQ) field campaign. NO x emissions are then derived for the Seoul metropolitan area during the KORUS-AQ field campaign using a top-down approach with the standard and regional NASA OMI NO 2 products. We first apply the top-down approach to a model simulation to ensure that the method is appropriate: the WRF-Chem simulation utilizing the bottom-up emissions inventory yields a NO x emissions rate of 227±94 kt yr –1 , while the bottom-up inventory itself within a 40 km radius of Seoul yields a NO x emissions rate of198 kt yr –1 . Using the top-down approach on the regional OMI NO 2 product, we derive the NO x emissions rate from Seoul to be 484±201 kt yr –1 , and a 353±146 kt yr –1 NO x emissions rate using the standard NASA OMI NO 2 product. This suggests an underestimate of 53 % and 36 % in the bottom-up inventory using the regional and standard NASA OMI NO 2 products respectively. To supplement this finding, we compare the NO 2 and NO y simulated by WRF-Chem to observations of the same quantity acquired by aircraft and find a model underestimate.When NO x emissions in the WRF-Chem model are increased by a factor of 2.13 in the Seoul metropolitan area, there is better agreement with KORUS-AQ aircraft observations and the recalculated OMI NO 2 tropospheric columns. Finally, we show that by using a WRF-Chem simulation with an updated emissions inventory to recalculate the air mass factor (AMF),there are small differences ( ~8 %) in OMI NO 2 compared tousing the original WRF-Chem simulation to derive the AMF. This suggests that changes in model resolution have a larger effect on the AMF calculation than modifications to the South Korean emissions inventory. Furthermore the current work is focused on South Korea using OMI, the methodology developed in this work can be applied to other world regions using TROPOMI and future satellite datasets (e.g., GEMS and TEMPO) to produce high-quality region-specific top-down NO x emissions estimates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Sources, Sinks, and Transatlantic Transport of North African Dust Aerosol: A Multimodel Analysis and Comparison With Remote Sensing Data

This study evaluates model-simulated dust aerosols over North Africa and the North Atlantic from five global models that participated in the Aerosol Comparison between Observations and Models phase II model experiments. The model results are compared with satellite aerosol optical depth (AOD) data from Moderate Resolution Imaging Spectroradiometer (MODIS), Multiangle Imaging Spectroradiometer (MISR), and Sea-viewing Wide Field-of-view Sensor, dust optical depth (DOD) derived from MODIS and MISR, AOD and coarse-mode AOD (as a proxy of DOD) from ground-based Aerosol Robotic Network Sun photometer measurements, and dust vertical distributions/centroid height from Cloud Aerosol Lidar with Orthogonal Polarization and Atmospheric Infrared Sounder satellite AOD retrievals. We examine the following quantities of AOD and DOD: (1) the magnitudes over land and over ocean in our study domain, (2) the longitudinal gradient from the dust source region over North Africa to the western North Atlantic, (3) seasonal variations at different locations, and (4) the dust vertical profile shape and the AOD centroid height (altitude above or below which half of the AOD is located). The different satellite data show consistent features in most of these aspects; however, the models display large diversity in all of them, with significant differences among the models and between models and observations. By examining dust emission, removal, and mass extinction efficiency in the five models, we also find remarkable differences among the models that all contribute to the discrepancies of model-simulated dust amount and distribution. This study highlights the challenges in simulating the dust physical and optical processes, even in the best known dust environment, and stresses the need for observable quantities to constrain the model processes.

Africa↗
DOE OSTI2016

HIGH-FIDELITY SIMULATION-DRIVEN MODEL DEVELOPMENT FOR COARSE-GRAINED COMPUTATIONAL FLUID DYNAMICS

Nuclear reactor safety analysis requires identifying various credible accident scenarios and determining their consequences. For a full-scale nuclear power plant system behavior, it is impossible to obtain sufficient experimental data for a broad range of risk-significant accident scenarios. In single-phase flow convective problems, Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) can provide us with high fidelity results when physical data are unavailable. However, these methods are computationally expensive and cannot be afforded for simulation of long transient scenarios in nuclear accidents despite extraordinary advances in high performance scientific computing over the past decades. The major issue is the inability to make the transient computation parallel, thus making number of time steps required in high-fidelity methods unaffordable for long transients. In this work, we propose to apply a high fidelity simulation-driven approach to model sub-grid scale (SGS) effect in Coarse Grained Computational Fluid Dynamics CG-CFD. This approach aims to develop a statistical surrogate model instead of the deterministic SGS model. We chose to start with a turbulent natural convection case with volumetric heating in a horizontal fluid layer with a rigid, insulated lower boundary and isothermal (cold) upper boundary. This scenario of unstable stratification is relevant to turbulent natural convection in a molten corium pool during a severe nuclear reactor accident, as well as in containment mixing and passive cooling. The presented approach demonstrates how to create a correction for the CG-CFD solution by modifying the energy balance equation. A global correction for the temperature equation proves to achieve a significant improvement to the prediction of steady state temperature distribution through the fluid layer.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1994

Ice-atmosphere interactions in the central Arctic: Remotely-sensed and simulated ice concentration and motion

The response of the Beaufort Sea ice pack to the passage of strong low pressure systems is studied using SAR (synthetic aperture radar), AVHRR (advanced very high resolution radiometer), and SSM/I (special sensor microwave/imager) data combined with model simulations. The SAR, AVHRR, and modeled concentrations concur generally in showing a 1 to 5 percent decrease in ice fraction during the passage of the lows. SSM/I derived concentrations appear to underestimate overall concentration and overestimate the opening of the pack relative to the other data sets. Ice motion derived from SAR and AVHRR and model simulations using two ice rheologies agree reasonably well in direction and magnitude, although the cavitating fluid approximation tends to overestimate ice motion compared to a viscous plastic rheology. Ice motions from SAR, AVHRR, and buoy observations can be merged to yield uniform grids particularly well suited to synoptic scale studies and model validation.

Maslanik, J. A.↗
NASA NTRS1985

Simulation and modeling of homogeneous, compressed turbulence

Low Reynolds number homogeneous turbulence undergoing low Mach number isotropic and one-dimensional compression was simulated by numerically solving the Navier-Stokes equations. The numerical simulations were performed on a CYBER 205 computer using a 64 x 64 x 64 mesh. A spectral method was used for spatial differencing and the second-order Runge-Kutta method for time advancement. A variety of statistical information was extracted from the computed flow fields. These include three-dimensional energy and dissipation spectra, two-point velocity correlations, one-dimensional energy spectra, turbulent kinetic energy and its dissipation rate, integral length scales, Taylor microscales, and Kolmogorov length scale. Results from the simulated flow fields were used to test one-point closure, two-equation models. A new one-point-closure, three-equation turbulence model which accounts for the effect of compression is proposed. The new model accurately calculates four types of flows (isotropic decay, isotropic compression, one-dimensional compression, and axisymmetric expansion flows) for a wide range of strain rates.

Wu, C. T.↗
NASA NTRSDate not supplied

Simulation and Modeling of Hypersonic Turbulent Boundary Layers Subject to Adverse Pressure Gradients due to Concave Streamline Curvature

Direct numerical simulations (DNS) of adverse-pressure-gradient turbulent boundary layers over a planar concave wall are presented for a nominal freestream Mach number of 5, with the objective of assessing the limitations of the currently available Reynolds-averaged Navier-Stokes (RANS) models. The wall geometry and flow conditions of the DNS are representative of the experimental data for a Mach 4.9 turbulent boundary layer that was tested on a two-dimensional planar concave wall model in the high-speed blow-down wind tunnel located at the National Aerothermochemistry Laboratory at Texas A&M University (TAMU). The DNS was validated against the experimental results of TAMU for the same flow conditions and wall geometry. An analysis of the DNS datasets was also conducted to provide an assessment of the validity of Morkovin’s hypothesis and the strong Reynolds analog for turbulence subject to mechanical nonequilibrium. In addition to the DNS results, RANS predictions are obtained by using the Baldwin-Lomax (BL), Spalart-Allmaras (SA), and the k - w SST turbulence models. The comparisons between RANS and DNS showed little impact of an adverse pressure gradient on the accuracy of these models, at least up to an incompressible Clauser pressure gradient parameter of beta(sub inc) 1.22. While the Boussinesq assumption provided reasonable predictions for the Reynolds shear stress, it failed to adequately predict the normal components of the Reynolds stress.

turbulent boundary layers↗
DOE OSTI2018

On the Linearity of Local and Regional Temperature Changes from 1.5°C to 2°C of Global Warming

Because of the Paris Agreement it is imperative there is greater understanding of the consequences of limiting global warming to the target 1.5° and 2°C levels above preindustrial conditions. It is challenging to quantify changes across a small increment of global warming, so a pattern-scaling approach may be considered. Here we investigate the validity of such an approach by comprehensively examining how well local temperatures and warming trends in a 1.5°C world predict local temperatures at global warming of 2°C. Ensembles of transient coupled climate simulations from multiple models under different scenarios were compared and individual model responses were analyzed. For many places, the multimodel forced response of seasonal-average temperatures is approximately linear with global warming between 1.5° and 2°C. Yet, individual model results vary and large contributions from nonlinear changes in unforced variability or the forced response cannot be ruled out. In some regions, such as East Asia, models simulate substantially greater warming than is expected from linear scaling. Examining East Asia during boreal summer, we find that increased warming in the simulated 2°C world relative to scaling up from 1.5°C is related to reduced anthropogenic aerosol emissions. Our results indicate that, where forcings other than those due to greenhouse gas emissions change, the warming experienced in a 1.5°C world is a poor predictor for local climate at 2°C of global warming. In addition to the analysis of the linearity in the forced climate change signal, we find that natural variability remains a substantial contribution to uncertainty at these low-warming targets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A coupled thermo-hydro-mechanical model for simulating leakoff-dominated hydraulic fracturing with application to geologic carbon storage

A potential risk of injecting CO2 into storage reservoirs with marginal permeability (≲ 10 mD (1 mD = 10 –15 m 2 )) is that commercial injection rates could induce fracturing of the reservoir and/or the caprock. Such fracturing is essentially fluid-driven fracturing in the leakoff-dominated regime. Recent studies suggested that fracturing, if contained within the lower portion of the caprock complex, could substantially improve the injectivity without compromising the overall seal integrity. Modeling this phenomenon entails complex coupled interactions among the fluids, the fracture, the reservoir, and the caprock. Here, we develop a simple method to capture all these interplays in high fidelity by sequentially coupling a hydraulic fracturing module with a coupled thermal-hydrological-mechanical (THM) model for nonisothermal multiphase flow. The model was made numerically tractable by taking advantage of self-stabilizing features of leakoff-dominated fracturing. The model is validated against the PKN solution in the leakoff-dominated regime. Moreover, we employ the model to study thermo-poromechanical responses of a fluid-driven fracture in a field-scale carbon storage reservoir that is loosely based on the In Salah project's Krechba reservoir. The model reveals complex yet intriguing behaviors of the reservoir-caprock-fluid system with fracturing induced by cold CO 2 injection. We also study the effects of the in situ stress contrast between the reservoir and caprock and thermal contraction on the vertical containment of the fracture. The proposed model proves effective in simulating practical problems on length and time scales relevant to geological carbon storage.

58 GEOSCIENCES↗
NASA NTRS1991

Characterization of and sensor-model verification and control of the properties of PMR-13 during processing

This study presents an in situ sensor and a process-simulation model developed for monitoring and controlling the cure process of PMR-15. The time-temperature dependence of the buildup in the molecular network structure, extent of reaction, viscosity, flow, and consolidation during the cure of PMR-15 are discussed. The relationship of the time-temperature cycle used during imidization to the length of the endcapped chains formed is examined. The relationship of the time-temperature cure-processing cycle to the reaction kinetics, viscosity, flow, and consolidation during crosslinking is analyzed using frequency-dependent electromagnetic sensors and the Loos processing model. Application of the FDEMS sensing technique and the process-simulation model for quality assurance processing and automated on-line control of cure is discussed.

Kranbuehl, D.↗
DOE OSTI2016

Multiscale Model for Simulating Fission-Induced Recrystallization in U-Mo Alloy

U-Mo alloy is one of the most promising fuels for the future high performance research and test reactors due to its high uranium loading density and stable irradiation behavior. However, a major concern to its qualification is the fuel swelling at high fission density due to the formation of large fission-gas bubbles. The fission-induced recrystallization further expedites the formation and growth of gas bubbles. So far, the exact mechanism of recrystallization is still unclear. One possible driving force for recrystallization is the production of point defects and interstitial loops due to irradiation. Following this, we developed a multi-scale model by integrating the rate-theory and phase-field models to study microstructural evolutions in irradiated U-Mo alloy, i.e., fission-induced gas bubble evolution and recrystallization. Density function theory (DFT) calculations are utilized to predict the defect formation energies, diffusivities of defects, the interfacial energy of gas bubble, and the elastic constants of U-Mo alloy, etc. The dislocation density evolution is predicted by the rate-theory developed by Jeff. The grain subdivision occurs once the dislocation density is above a critical value. The grain growth coupled with gas bubbles evolution is modeled using a multi-phase phase-field model. The effects of fission rate and initial grain microstructure on the recrystallization process are systematically investigated. The simulated dislocation density, sub-grain size distribution, and volume fraction of the recrystallization grains under different fission density are comparable with experimental data. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Evaluation of the accuracy of an offline seasonally-varying matrix transport model for simulating ideal age

Newton-Krylov solvers for ocean tracers have the potential to greatly decrease the computational costs of spinning up deep-ocean tracers, which can take several thousand model years to reach equilibrium with surface processes. One version of the algorithm uses offline tracer transport matrices to simulate an annual cycle of tracer concentrations and applies Newton’s method to find concentrations that are periodic in time. Here we present the impact of time-averaging the transport matrices on the equilibrium values of an ideal-age tracer. We compared annually-averaged, monthly-averaged, and 5-day-averaged transport matrices to an online simulation using the ocean component of the Community Earth System Model (CESM) with a nominal horizontal resolution of 1° × 1° and 60 vertical levels. We found that increasing the time resolution of the offline transport model reduced a low age bias from 12% for the annually-averaged transport matrices, to 4% for the monthly-averaged transport matrices, and to less than 2% for the transport matrices constructed from 5-day averages. The largest differences were in areas with strong seasonal changes in the circulation, such as the Northern Indian Ocean. As a result, for many applications the relatively small bias obtained using the offline model makes the offline approach attractive because it uses significantly less computer resources and is simpler to set up and run.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Engineering challenges for detectors at the ILC

Over the last years two proposals for experiments at the ILC have been developed, ILD and SID. Extensive R&D has been carried out around the world to develop the needed technologies. Furthermore a first round of engineering studies was made as part of the ILC TDR to understand the integration of these different sub-systems into coherent and integrated detector concepts. Among the key challenges for the sub detectors are the extreme low mass/low power requirements or the extreme channel densities needed in particle flow based detectors. Throughout these studies special care was taken to ensure that the engineering models and the simulation models, used in studies of the physics capabilities of the detectors, stay synchronized. In the near future, the models will need to be evolved to take the special requirements of the potential ILC site in Japan into account. Furthermore, the state of the integration of the detectors, and the future directions, will be discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Observations Indicate That Clouds Amplify Mechanisms of Southern Ocean Heat Uptake

Abstract The Southern Ocean has absorbed most of the excess heat associated with anthropogenic greenhouse gas emissions. Since Southern Ocean observations are sparse in certain regions and seasons, much of our knowledge of ocean heat uptake is based on climate model simulations. However, climate models still inadequately represent some properties of Southern Ocean clouds, and they have not identified the mechanisms by which clouds may affect Southern Ocean heat uptake (SOHU). Here, we use the ERA5 and JRA‐55 reanalyses to assess the influence of clouds and other atmospheric processes on SOHU from 1979 to 2020. We find that years with the highest SOHU between 45° and 65°S are dominated by ocean heat uptake anomalies during winter and spring, but not during summer or fall. Winter and spring cloud cover are up to 7% higher when SOHU is up to 5.5 W/m 2 higher than the climatological seasonal mean, with the largest increases in the South Pacific Ocean. Clouds also contain more liquid water. These changes in cloud properties increase downwelling longwave radiation, amplifying ocean heat uptake. Cloud changes are also concomitant with a more stable lower atmosphere, which suppresses turbulent heat fluxes out of the surface. Overall, we find that SOHU is likely not mediated by enhanced surface shortwave absorption over the observational time period. A better understanding of how atmospheric processes impact ocean heat uptake may help improve our understanding of ocean heat uptake mechanisms in the current generation of climate models.

54 ENVIRONMENTAL SCIENCES↗