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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

A Geostationary Instrument Simulator for Aerosol Observing System Simulation Experiments

In the near future, there will be several new instruments measuring atmospheric composition from geostationary orbit over North America, East Asia, and Europe. This constellation of satellites will provide high resolution, time resolved measurements of trace gases and aerosols for monitoring air quality and tracking pollution sources. This paper describes a detailed, fast, and accurate (less than 1.0% uncertainty) method for calculating synthetic top of the atmosphere (TOA) radiances from a global simulation with a mesoscale free running model, the GEOS-5 Nature Run, for remote sensing instruments in geostationary orbit that measure in the ultraviolet-visible spectral range (UV-Vis). Generating these synthetic observations is the first step of an Observing System Simulation Experiment (OSSE), a framework for evaluating the impact of a new observation or algorithm. This paper provides details of the model sampling, aerosol and cloud optical properties, surface reflectance modeling, Rayleigh scattering calculations, and a discussion of the uncertainties of the simulated TOA radiance. An application for the simulated TOA radiance observations is demonstrated in the manuscript. Simulated TEMPO (Tropospheric Emissions: Monitoring of Pollution) and GOES-R (Geostationary Operational Environmental Satellites) observations were used to show how observations from the two instruments could be combined to facilitate aerosol type discrimination. The results demonstrate the viability of a detailed instrument simulator for radiance measurements in the UV-Vis that is capable of accurately simulating high resolution, time-resolved measurements with reasonable computational efficiency.

Castellanos, Patricia↗
NASA NTRS2019

Cloud Influence on ERA5 and AMPS Surface Downwelling Longwave Radiation Biases in West Antarctica

The surface downwelling longwave radiation component (LW[down arrow]) is crucial for the determination of the surface energy budget and has significant implications for the resilience of ice surfaces in the polar regions. Accurate model evaluation of this radiation component requires knowledge about the phase, vertical distribution, and associated temperature of water in the atmosphere, all of which control the LW[down arrow] signal measured at the surface. In this study, we examine the LW[down arrow] model errors found in the Antarctic Mesoscale Prediction System (AMPS) operational forecast model and the ERA5 reanalysis model relative to observations from the AWARE campaign at McMurdo Station and the West Antarctic Ice Sheet (WAIS) Divide. The errors are calculated separately for observed clear-sky conditions, ice-cloud occurrences, and liquid-bearing cloud layer (LBCL) occurrences. The analysis results show a tendency in both models at each site to underestimate the LW[down arrow] during clear sky conditions, high error variability (standard deviations > 20 W/m[exp2]) during any type of cloud occurrence, and negative LW biases when LBCLs are observed (bias magnitudes > 15 W/m[exp2] in tenuous LBCL cases; > 43 W/m[exp2] in optically thick/opaque LBCLs instances). We suggest that a generally dry and liquid-deficient atmosphere responsible for the identified LW[down arrow] biases in both models is the result of excessive ice formation and growth, which could stem from model initial and lateral boundary conditions, microphysics scheme, aerosol representation, and/or limited vertical resolution.

Israel Silber↗
DOE OSTI2024

SurFE-XD (Surface curvature-driven Finite Elements model for Diffusion under eXtreme conditions)

SurFE-XD is a mesoscale finite element framework to model surface diffusion under mutliphysics environments. The code uses legacy C++ library dolphin wrapped with python in a FEniCS driven unified form language and just-in-time (JIT) compilation setting. The purpose of the release is to attract wide-ranging usage of the code along with publication supplementation to support reproducibility of scientific data. SurFE-XD has been originally conceived under the LDRD-DR funding for “High-Gradient (C-BAND) Breakdown tolerant accelerator materials project. Currently SrFE-XD support electrostatics and Thermo-elasticity driven surface diffusion kernels. Releasing the code will also enable to include contributions from other physical regimes e.g., plasticity and electrodynamics etc as well portability to GPU-based platforms.

Bagchi, Soumendu↗
DOE OSTI2025

Reweighting configurations generated by transferable, machine learned models for protein sidechain backmapping

Multiscale modeling requires the linking of models at different levels of detail, with the goal of gaining accelerations from lower fidelity models while recovering fine details from higher resolution models. Communication across resolutions is particularly important in modeling soft matter, where tight couplings exist between molecular-level details and mesoscale structures. While multiscale modeling of biomolecules has become a critical component in exploring their structure and self-assembly, backmapping from coarse-grained to fine-grained, or atomistic, representations presents a challenge, despite recent advances through machine learning. A major hurdle, especially for strategies utilizing machine learning, is that backmappings can only approximately recover the atomistic ensemble of interest. We demonstrate conditions for which backmapped configurations may be reweighted to exactly recover the desired atomistic ensemble. By training separate decoding models for each sidechain type, we develop an algorithm based on normalizing flows and geometric algebra attention to autoregressively propose backmapped configurations for any protein sequence. Critical for reweighting with modern protein force fields, our trained models include all hydrogen atoms in the backmapping and make probabilities associated with atomistic configurations directly accessible. We also demonstrate, however, that reweighting is extremely challenging despite state-of-the-art performance on recently developed metrics and generation of configurations with low energies in atomistic protein force fields. Through detailed analysis of configurational weights, we show that machine-learned backmappings must not only generate configurations with reasonable energies, but also correctly assign relative probabilities under the generative model. These are broadly important considerations in generative modeling of atomistic molecular configurations.

Monroe, Jacob I. [Univ. of Arkansas, Fayetteville,↗
DOE OSTI2020

Report of the Atmosphere to Electrons Land-Based Mesoscale-to-Microscale Coupling Project (FY2020)

The overall goal of the Mesoscale-to-Microscale Coupling (MMC) project is to improve coupling between mesoscale and microscale simulations via improved guidance and new strategies for setting up simulations and for the development of new tools that can be used across the community. Including the mesoscale forcing is critical to modeling the full energy transfer across scales in the atmosphere. The project-specific objectives include: 1) To apply rigorous verification and validation (V&V) techniques to the new modeling tools that are developed as part of the project to ensure the accuracy of our codes and results and to develop estimates of the relative uncertainty. 2) To improve computational performance of the coupled MMC models through the development of methods that can be used to reduce turbulence spin-up time and hence the size of computational domains. 3) To improve representation of the surface layer in microscale models to enhance simulations of hub-height wind speed. 4) To develop guidance for the community describing the best ways to couple mesoscale and microscale models, including specific spatial scales at which the handoff to the microscale model should occur. 5) To prepare documentation and a suite of software tools that can be used across the community. And 6) To transition MMC research to the offshore environment. Major progress was made in each of these areas during FY20. The land-based portion of the project is reported herein, while the offshore portion will be reported separately. The team continued to advance the MMC tools and methodologies as well as to document their performance in journal papers and conference presentations, although several planned conferences were cancelled due to the COVID-19 pandemic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Growth of Mesoscale Convective Systems in Observations and a Seasonal Convection-Permitting Simulation over Argentina

Abstract A 6.5-month, convection-permitting simulation is conducted over Argentina covering the Remote Sensing of Electrification, Lightning, And Mesoscale/Microscale Processes with Adaptive Ground Observations and Clouds, Aerosols, and Complex Terrain Interactions (RELAMPAGO-CACTI) field campaign and is compared with observations to evaluate mesoscale convective system (MCS) growth prediction. Observed and simulated MCSs are consistently identified, tracked, and separated into growth, mature, and decay stages using top-of-the-atmosphere infrared brightness temperature and surface rainfall. Simulated MCS number, lifetime, seasonal and diurnal cycles, and various cloud-shield characteristics including growth rate are similar to those observed. However, the simulation produces smaller rainfall areas, greater proportions of heavy rainfall, and faster system propagations. Rainfall area is significantly underestimated for long-lived MCSs but not for shorter-lived MCSs, and rain rates are always overestimated. These differences result from a combination of model and satellite retrieval biases, in which simulated MCS rain rates are shifted from light to heavy, while satellite-retrieved rainfall is too frequent relative to rain gauge estimates. However, the simulation reproduces satellite-retrieved MCS cloud-shield evolution well, supporting its usage to examine environmental controls on MCS growth. MCS initiation locations are associated with removal of convective inhibition more than maximized low-level moisture convergence or instability. Rapid growth is associated with a stronger upper-level jet (ULJ) and a deeper northwestern Argentinean low that causes a stronger northerly low-level jet (LLJ), increasing heat and moisture fluxes, low-level vertical wind shear, baroclinicity, and instability. Sustained growth corresponds to similar LLJ, baroclinicity, and instability conditions but is less sensitive to the ULJ, large-scale vertical motion, or low-level shear. Growth sustenance controls MCS maximum extent more than growth rate.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

Recent examples of mesoscale numerical forecasts of severe weather events along the east coast

Mesoscale numerical forecasts utilizing the Mesoscale Atmospheric Simulation System (MASS) are documented for two East Coast severe weather events. The two events are the thunderstorm and heavy snow bursts in the Washington, D.C. - Baltimore, MD region on 8 March 1984 and the devastating tornado outbreak across North and South Carolina on 28 March 1984. The forecasts are presented to demonstrate the ability of the model to simulate dynamical interactions and diabatic processes and to note some of the problems encountered when using mesoscale models for day-to-day forecasting.

Kocin, P. J.↗
NASA NTRS1994

The impact of land-surface wetness heterogeneity on mesoscale heat fluxes

Vertical heat fluxes associated with mesoscale circulations generated by land-surface wetness discontinuities are often stronger than turbulent fluxes, especially in the upper part of the atmospheric planetary boundary layer. As a result, they contribute significantly to the subgrid-scale fluxes in large-scale atmospheric models. Yet they are not considered in these models. To provide some insights into the possible parameterization of these fluxes in large-scale models, a state-of-the-art mesoscale numerical model was used to investigate the relationships between mesoscale heat fluxes and atmospheric and land-surface characteristics that play a key role in the generation of mesoscale circulations. The distribution of land-surface wetness, the wavenumber and the wavelength of the land-surface discontinuities, and the large-scale wind speed have a significant impact on the mesoscale heat fluxes. Empirical functions were derived to characterize the relationships between mesoscale heat fluxes and the spatial distribution of land-surface wetness. The strongest mesoscale heat fluxes were obtained for a wavelength of forcing corresponding approximately to the local Rossby deformation radius. The mesoscale heat fluxes are weakened by large-scale background winds but remain significant even with moderate winds.

Chen, Fei↗
NASA NTRS1981

Regional eddy vorticity transport and the equilibrium vorticity budgets of a numerical model ocean circulation

A mean vorticity budget analysis is presented of Holland's (1978) numerical ocean general circulation experiment. The stable budgets are compared with classical circulation theory to emphasize the ways in which the mesoscale motions of the model alter (or leave unaltered) classical vorticity balances. The basinwide meridional transports of vorticity by the mean flow and by the mesoscale flow in the mean are evaluated to establish the role(s) of the mesoscale in the larger scale equilibrium vorticity transports. The vorticity equation for this model fluid system is presented and the budget analysis method is described. Vorticity budgets over the selected regions and on a larger scale are given, and a summary of budget results is provided along with remarks about the utility of this type of analysis.

Harrison, D. E.↗
DOE OSTI2020

Mesoscale to Microscale Simulations over Complex Terrain with the Immersed Boundary Method in the Weather Research and Forecasting Model

Improvements to the Weather Research and Forecasting (WRF) Model are made to enable multiscale simulations over highly complex terrain with dynamically downscaled boundary conditions from the mesoscale to the microscale. Over steep terrain, the WRF Model develops numerical errors that are due to grid deformation of the terrain-following coordinates. An alternative coordinate system, the immersed boundary method (IBM), has been implemented into WRF, allowing for simulations over highly complex terrain; however, the new coordinate system precluded nesting within mesoscale simulations using WRF’s native terrain-following coordinates. Here, the immersed boundary method and WRF’s grid-nesting framework are modified to seamlessly work together. This improved framework for the first time allows for large-eddy simulation over complex (urban) terrain with IBM to be nested within a typical mesoscale WRF simulation. Simulations of the Joint Urban 2003 field campaign in Oklahoma City, Oklahoma, are performed using a multiscale five-domain nested configuration, spanning horizontal grid resolutions from 6 km to 2 m. These are compared with microscale-only simulations with idealized lateral boundary conditions and with observations of wind speed/direction and SF 6 concentrations from a controlled release from intensive observation period 3. The multiscale simulation, which is configured independent of local observations, shows similar model skill predicting wind speed/direction and improved skill predicting SF 6 concentrations when compared with the idealized simulations, which require use of observations to set mean flow conditions. Use of this improved multiscale framework shows promise for enabling large-eddy simulation over highly complex terrain with dynamically downscaled boundary conditions from mesoscale models.

42 ENGINEERING↗
NASA NTRS1988

Numerical simulation of cloud and precipitation structure during GALE IOP-2

A regional scale model, LAMPS (Limited Area Mesoscale Prediction System), is used to investigate cloud and precipitation structure that accompanied a short wave system during a portion of GALE IOP-2. A comparison of satellite imagery and model fields indicates that much of the large mesoscale organization of condensation has been captured by the simulation. In addition to reproducing a realistic phasing of two baroclinic zones associated with a split cold front, a reasonable simulation of the gross mesoscale cloud distribution has been achieved.

Robertson, F. R.↗
NASA NTRS1993

Martian mesoscale circulations induced by variations in surface optical and thermal characteristics: A numerical study

According to Mariner 9 and Viking observations the surface albedo and the thermal inertia of Mars' surface vary substantially, and fairly large gradients also occur. The Syrtis Major region is bounded in the west by high-albedo cratered terrain and in the east by Isidis Planitia, a high-albedo plateau. Sinus Meridiani, centered at 0 degrees W 5 degrees S, is almost surrounded by higher albedo regions with sharp boundaries, and Acidalia Planitia, between 10 and 50 degrees W and north of 35 degrees N, has sharp albedo boundaries to the east and west. Observational and modeling studies, e.g., on Australian dry salt lake coasts, have shown that discontinuities and gradients in surface properties can induce mesoscale circulations. We have used a version of the DMUH mesoscale model to simulate atmospheric circulations induced by variations in the reflectivity and in the thermal inertia of the martian surface.

Siili, Tero↗
DOE OSTI2024

Weak shock compaction on granular salt

This study conducted integrated experiments and computational modeling to investigate the speeds of a developing shock within granular salt and analyzed the effect of various impact velocities up to 245 m/s. Experiments were conducted on table salt utilizing a novel setup with a considerable bore length for the sample, enabling visualization of a moving shock wave. Experimental analysis using particle image velocimetry enabled the characterization of shock velocity and particle velocity histories. Mesoscale simulations further enabled advanced analysis of the shock wave’s substructure. In simulations, the shock front’s precursor was shown to have a heterogeneous nature, which is usually modeled as uniform in continuum analyses. The presence of force chains results in a spread out of the shock precursor over a greater ramp distance. With increasing impact velocity, the shock front thickness reduces, and the precursor of the shock front becomes less heterogeneous. Furthermore, mesoscale modeling suggests the formation of force chains behind the shock front, even under the conditions of weak shock. This study presents novel mesoscale simulation results on salt corroborated with data from experiments, thereby characterizing the compaction front speeds in the weak shock regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Influence of Antarctic and Greenland Continental Shelf Circulation on High‐Latitude Oceans in E3SM

The science objectives of this project are to simulate and understand the impacts of both deep-basin warm-water intrusions and land-ice melt on the continental shelf circulations and sea-ice distributions around the margins of Greenland and Antarctica. As well, the role of subsurface ocean heat from the Atlantic on declining sea-ice cover in the Arctic is explored. Mesoscale processes and fine bathymetry are implicated in cross-shelf property transports around both Greenland and Antarctica. Therefore, we configured and ran an atmospheric reanalysis-forced global ocean/sea-ice simulation on a grid that reduces from 8 km at the Equator to 2 km at the poles (UH8to2) with 60 vertical levels. It was produced using the Energy Exascale Earth System Model ‘‘HiLAT’’ code (E3SMv0-HiLAT) that uses the Parallel Ocean Program (POP) and CICE5 as its ocean and sea-ice components, respectively. Two main UH8to2 simulations were carried out: one for 1975-2009 and the other for July 2016-2020 after it was initialized from a 1/25° data-assimilative ocean/sea-ice prediction system ocean/sea-ice state. The UH8to2 is not coupled to an active land-ice model. Rather, land-ice melt is represented by observationally informed freshwater fluxes (FWFs). Short (multi-year) UH8to2 simulations were conducted to understand sensitivities when Greenland ice sheet (GrIS) melt is released only at the ocean surface or when it is distributed over the upper water column in accordance with fjord melt plume behavior; these cases were compared with a no GrIS melt case. West Greenland continental shelf currents were fastest in the vertical distribution case and an increase in baroclinic conversion at the shelf break associated with increased eddy kinetic energy was found relative to the surface release case. Further, salinity is lower and meltwater volume greater in the eastern Labrador Sea in the vertical distribution case. For the Arctic, the veracity of the UH8to2 was evaluated for 2017-2020 using available observations. Simulated seasonal sea-ice thickness and concentration are realistic, but the ice is unrealistically thin in the central and eastern Arctic in the fall. Comparisons of vertical sections of ocean temperature, salinity, and buoyancy collected from Ice-Tethered Profilers (ITPs) in the eastern Arctic in the fall and winter of 2019/2020 and co-located/concurrent UH8to2 fields show the stratification over the top 100 m of the water column is too low in the model, the simulated mixed layer too deep, and the simulated subsurface Atlantic Water (AW) too warm; these biases may contribute to the sea-ice biases. A model intercomparison study using the UH8to2 and a forced 1/25° regional Arctic ocean/sea-ice (uses the HYbrid Coordinate Ocean Model and CICE5) simulation further investigates the relationship between AW and sea-ice in the eastern Arctic. The models show a mesoscale-rich pulse of Atlantic Water extending into the eastern basin that reaches maximum intensity in late winter of 2018, after which it decreases in strength. Concurrent and co-located sea-ice melt or the inhibition of sea-ice growth is seen and is attributed to halocline mesoscale eddies doming into the mixed layer with convection bringing this heat into the vicinity of the sea-ice.

58 GEOSCIENCES↗
NASA NTRS2018

Parameterization of Mixed Layer and Deep-Ocean Mesoscales Including Nonlinearity

In 2011, Chelton et al. carried out a comprehensive census of mesoscales using altimetry data and reached the following conclusions: "essentially all of the observed mesoscale features are nonlinear" and "mesoscales do not move with the mean velocity but with their own drift velocity," which is "the most germane of all the nonlinear metrics." Accounting for these results in a mesoscale parameterization presents conceptual and practical challenges since linear analysis is no longer usable and one needs a model of nonlinearity. A mesoscale parameterization is presented that has the following features: 1) it is based on the solutions of the nonlinear mesoscale dynamical equations, 2) it describes arbitrary tracers, 3) it includes adiabatic (A) and diabatic (D) regimes, 4) the eddy-induced velocity is the sum of a Gent and McWilliams (GM) term plus a new term representing the difference between drift and mean velocities, 5) the new term lowers the transfer of mean potential energy to mesoscales, 6) the isopycnal slopes are not as flat as in the GM case, 7) deep-ocean stratification is enhanced compared to previous parameterizations where being more weakly stratified allowed a large heat uptake that is not observed, 8) the strength of the Deacon cell is reduced. The numerical results are from a stand-alone ocean code with Coordinated Ocean-Ice Reference Experiment I (CORE-I) normal-year forcing.

Baroclinic flows; Mesoscale processes; Mixing; Sub↗
DOE OSTI2022

Novel method to control explosive shock sensitivity: A mesoscale study to understand the effect of thermally expandable microsphere (TEM) inclusions in high explosives (HE) microstructure

When the void content and/or void structure of a high explosive (HE) is altered by some means (i.e., bulk heating or mechanical damage), the shock initiation behavior of the material changes. The ability to precisely predict the change in shock sensitivity after an HE has undergone microstructural changes is a crucial capability in multi-scale reactive flow models. Here, we utilize thermally expandable microspheres (TEMs) as a dopant in a polymer bonded explosive (PBX) matrix to alter the shock initiation properties in a controlled fashion. Here, using a mesoscale modeling approach, we evaluated how a single TEM (before and after thermal expansion) behaves under shock compression, as well as how the matrix PBX in the direct vicinity of the TEM is affected. We first examined the effect of an unexpanded TEM in the explosive matrix and found that its presence does not significantly perturb the bulk flow and by extension will not affect bulk sensitivity. Next, we examined the effect of an expanded TEM and found that its presence significantly perturbs the flow via hydrodynamic jetting, which causes a secondary shock wave with a strength that exceeds that of the incident wave. Finally, we showed that this secondary shock interacts with the downstream porosity to ignite a larger fraction of the overall pore volume, commensurate with the secondary shock strength and the affected volume, increasing the global (bulk) shock sensitivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Hot Structure Concepts and Materials for Space Exploration Project

Hot structures are multifunctional material systems that integrate the functions of thermal protection systems (TPS) and primary structure to increase mass efficiency in aerospace vehicles. The goal of this project was to improve our capabilities for developing lightweight, reusable, and reliable hot structures concepts to enable advanced space exploration missions. Specifically, current hot structure carbon/carbon (C/C) composite material systems have low interlaminar strength, which can lead to material failures at low load levels, and large material property variability in as-fabricated parts. Two parallel paths were followed to address these shortcomings. First, analysis models were developed to identify the conditions under which excessive interlaminar stresses occur and to evaluate the potential of stitching the C/C laminae to improve the interlaminar thermal-structural response. This effort included the development of high-fidelity, fracture-based thermal-structural finite element analysis models to evaluate critical features needed to produce efficient hot structure concepts. The second path focused on developing atomistic and mesoscale simulation tools to model the fabrication process in an effort to reduce the time and cost of production while improving the quality of the resulting parts. Aspects of the process currently being investigated include the infusion of the matrix precursor into the fiber preform, the cure of the precursor molecules into their polymeric form, and the carbonization and graphitization of the polymer to form the carbon matrix material. Results of the 6-month study are presented herein.

thermal↗