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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

HydroGEN STCH node support: FY25 Q1 quarterly report – LLNL's input

For reducing the cost of H 2 production by enhancing the efficiency and cyclability of water splitting reactions, we aim to understand the relationship between microstructure and surface reaction performance on perovskite oxides. In this quarter, mesoscale simulations were carried with various 3D porous microstructures to characterize the microstructure-dependent H 2 production. During the water splitting process, incoming gas including steam (H 2 O) passes through porous regions, which can induce local pressure variations according to the Bernoulli’s principle. Accordingly, we developed the mesoscale simulation method to characterize the reaction kinetics with inhomogeneous local pressures within porous microstructures.

08 HYDROGEN↗
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↗
NASA NTRS1998

Global MHD Simulation of Mesoscale Structures at the Magnetospheric Boundary

The research carried out for this protocol was focused on the study of mesoscales structures at the magnetospheric boundary. We investigated three areas: (1) the structure of the magnetospheric boundary for steady solar wind conditions; (2) the dynamics of the dayside magnetospheric boundary and (3) the dynamics of the distant tail magnetospheric boundary. Our approach was to use high resolution three-dimensional global magnetohydrodynamic (MHD) simulations of the interaction of the solar wind with the Earth's magnetosphere. We first considered simple variations of the interplanetary conditions to obtain generic cases that helped us in establishing the basic cause and effect relationships for steady solar wind conditions. Subsequently, we used actual solar wind plasma and magnetic field parameters measured by an upstream spacecraft as input to the simulations and compared the simulation results with sequences of events observed by another or several other spacecraft located downstream the bow shock. In particular we compared results with observations made when spacecraft crossed the magnetospheric boundary.

Berchem, Jean↗
NASA NTRS2001

A Study of Heavy Precipitation Events in Taiwan During 10-13 August, 1994: Mesoscale Model Simulations - Part 2

Several heavy precipitation episodes occurred over Taiwan from August 10 to 13, 1994. Precipitation patterns and characteristics are quite different between the precipitation events that occurred from August 10 and I I and from August 12 and 13. In Part I (Chen et al. 2001), the environmental situation and precipitation characteristics are analyzed using the EC/TOGA data, ground-based radar data, surface rainfall patterns, surface wind data, and upper air soundings. In this study (Part II), the Penn State/NCAR Mesoscale Model (MM5) is used to study the precipitation characteristics of these heavy precipitation events. Various physical processes (schemes) developed at NASA Goddard Space Flight Center (i.e., cloud microphysics scheme, radiative transfer model, and land-soil-vegetation surface model) have recently implemented into the MM5. These physical packages are described in the paper, Two way interactive nested grids are used with horizontal resolutions of 45, 15 and 5 km. The model results indicated that Cloud physics, land surface and radiation processes generally do not change the location (horizontal distribution) of heavy precipitation. The Goddard 3-class ice scheme produced more rainfall than the 2-class scheme. The Goddard multi-broad-band radiative transfer model reduced precipitation compared to a one-broad band (emissivity) radiation model. The Goddard land-soil-vegetation surface model also reduce the rainfall compared to a simple surface model in which the surface temperature is computed from a Surface energy budget following the "force-re store" method. However, model runs including all Goddard physical processes enhanced precipitation significantly for both cases. The results from these runs are in better agreement with observations. Despite improved simulations using different physical schemes, there are still some deficiencies in the model simulations. Some potential problems are discussed. Sensitivity tests (removing either terrain or radiative processes) are performed to identify the physical processes that determine the precipitation patterns and characteristics for heavy rainfall events. These sensitivity tests indicated that terrain can play a major role in determining the exact location for both precipitation events. The terrain can also play a major role in determining the intensity of precipitation for both events. However, it has a large impact on one event but a smaller one on the other. The radiative processes are also important for determining, the precipitation patterns for one case but. not the other. The radiative processes can also effect the total rainfall for both cases to different extents.

Tao, Wei Kuo↗
DOE OSTI2025

Kinetics and Thermodynamics of Sr Permeation in CeO 2 -Based Barrier Layers for Solid-Oxide Electrolyzer Cells

Solid-oxide electrolyzer cells (SOECs) convert steam to hydrogen efficiently at high temperatures. However, during operation, the diffusion of cations or impurities through the cells due to electrode degradation can cause unwanted secondary phases to form, which may degrade device performance. Here, in this study, we use atomistic and mesoscale simulations coupled with experimental analysis to study the diffusion of Sr through the Gd-doped CeO 2 (GDC) barrier layer used to protect the yttria-stabilized zirconia (YSZ) electrolyte in SOECs. From our atomistic calculations, we find Sr diffusion to be negligibly slow in bulk GDC; however, surface diffusion is much more favorable. Subsequent mesoscale simulations show that Sr diffusion is activated when the porosity of GDC exceeds ∼10% and significantly exceeds diffusion in bulk and grain boundary regions. We also find that SrO-based species can accumulate at GDC surfaces; however, SrO aggregation and coarsening will be limited by the large lattice mismatch between GDC and SrO. Energy-dispersive X-ray spectroscopy (EDS) and electron diffraction confirm that Sr can accumulate within GDC pores and form disperse Sr-containing secondary phases. Altogether, Sr diffusion in dense GDC is unlikely to give rise to thick SrO layers, which would severely limit device performance. The formation of Sr-containing secondary phases can largely be avoided by restricting the porosity of the GDC layer as much as possible.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Differences in cluster and internal wake effects from mesoscale and large-eddy simulations off the US East Coast

Mesoscale simulations are increasingly used to estimate wake effects within and between large wind farms, despite limited validation for large-scale wake effects. This study evaluates the capabilities and limitations of mesoscale simulations in capturing wake-induced impacts on wind turbine power production through a direct comparison with large-domain large-eddy simulations (LESs) for three planned offshore wind farms under realistic atmospheric conditions and a range of atmospheric stabilities. We assess mesoscale performance in replicating wake characteristics behind single and multiple turbine clusters and quantify the resulting variability in mean turbine power. Results show that mesoscale Weather Research and Forecasting simulations with the Fitch wind farm parameterization capture key features of the velocity deficit downstream of both single and multiple wind farms, with mean root-mean-square errors near 5 % and good agreement with stability-driven wake behavior. However, in these simulations, the mesoscale Fitch parameterization underestimates power losses from internal wake effects, particularly when turbines align with the prevailing wind direction or under stable stratification. In these conditions, individual wakes persist and dominate downstream power deficits. The coarse resolution of the mesoscale simulations limits their ability to resolve individual wind turbine wakes that drive power fluctuations within wind farms. Nonetheless, mesoscale simulations can yield accurate estimates of combined wake losses from internal and cluster effects across some wind direction sectors, where errors in wake representation may cancel each other out. These findings underscore the strengths of mesoscale simulations for capturing broader wake patterns while highlighting their limitations for modeling turbine-level power losses. Future work should explore hybrid modeling approaches to capture both long-range cluster wake propagation and localized internal wake dynamics.

17 WIND ENERGY↗
DOE OSTI2020

FY2020 Fourth Quarter Performance Metric: Evaluate Improvement in Simulations of Mesoscale Convective Systems from New Parameterization Developments in E3SM

Mesoscale convective systems (MCSs) consist of an assembly of cumulonimbus clouds on scales of 100 km or more and produce mesoscale circulations (Houze, 2004, 2018). As the largest form of deep convective storms, MCSs contribute to 30% – 70% of annual and warm season rainfall in the U.S. and in the global tropics (Houze 2018; Stevenson & Schumacher, 2014; Feng et al., 2019; Haberlie & Ashley, 2019). Since MCSs contribute importantly to mean and extreme precipitation in the U.S. and many other regions around the world, understanding how well they are simulated by E3SM may guide future development towards more skillful modeling of convective storms and associated hydrologic impacts. The FY2020 Second Quarter Performance Metric Report documented comparisons of MCSs in the central and eastern U.S. in a high-resolution simulation produced by E3SM v1 at 25 km resolution (Caldwell et al. 2019) with observations. MCSs in the simulation occur less frequently and produce less intense precipitation, resulting in large underestimation of MCS volumetric rain-rate compared to observations. The first and third quarter performance metric report indicated that these model biases in simulating MCSs can be attributed to model limitations in parameterizing convection, clouds, and other related processes, as well as model biases in simulating the MCS large-scale environment. In the current FY2020 Fourth Quarter Performance Metric Report, we evaluate MCSs simulated in E3SM with several new developments in convection parameterizations that are being developed for its next generation. The goal is to summarize what have been improved with the new developments and highlight what need more work in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Km‐Scale Simulations of Mesoscale Convective Systems Over South America—A Feature Tracker Intercomparison

Mesoscale convective systems (MCSs) are clusters of thunderstorms that are important in Earth's water and energy cycle. Additionally, they are responsible for extreme events such as large hail, strong winds, and extreme precipitation. Automated object-based analyses that track MCSs have become popular since they allow us to identify and follow MCSs over their entire life cycle in a Lagrangian framework. This rise in popularity was accompanied by an increasing number of MCS tracking algorithms, however, little is known about how sensitive analyses are concerning the MCS tracker formulation. Here, we assess differences between six MCS tracking algorithms on South American MCS characteristics and evaluate MCSs in kilometer-scale simulations with observational-based MCSs over 3 years. All trackers are run with a common set of MCS classification criteria to isolate tracker formulation differences. The tracker formulation substantially impacts MCS characteristics such as frequency, size, duration, and contribution to total precipitation. The evaluation of simulated MCS characteristics is less sensitive to the tracker formulation and all trackers agree that the model can capture MCS characteristics well across different South American climate zones. Dominant sources of uncertainty are the segmentation of cloud systems in space and time and the treatment of how MCSs are linked in time. Our results highlight that comparing MCS analyses that use different tracking algorithms is challenging. We provide general guidelines on how MCS characteristics compare between trackers to facilitate a more robust assessment of MCS statistics in future studies.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

Simulation of mesoscale convective response

Results are reported from a transfer of thermodynamic and dynamic data downscale from a two-dimensional mesoscale model to a two-dimensional cloud model and a subsequent examination of the differential convective response of the cloud model to a mesoscale structure. The mesoscale model included a high resolution PBL formulation, with convective forces expressed in a profile of exchange coefficients over the height of the PBL and the magnitude of the surface heat flux. Account was also taken of forcing by long- and short-wave radiation, surface forcing by the surface energy budget, the terrain shape, and possible wave reflection at the top boundary. The slab-symmetric cloud model possessed subgrid-scale features, five types of moisture terms, and a subroutine for accretion processes. The mesoscale environment was observed to have a significant impact on convective response, i.e., the vertical velocity and the cloud water. Various factors which were not included in the study and which must be considered are discussed.

Mcnider, R. T.↗
NASA NTRS2001

A study of heavy precipitation events in Taiwan during 10-13 August, 1994: mesoscale model simulations

Heavy rainfall occurred over the western side of Taiwan's complex terrain from August 10 to 13, 1994 after Typhoon Doug moved northward from the East China Sea into Taiwan and on towards the Yellow Sea. On August 10, most of the rainfall fell over sloped areas. The heaviest daily rainfall totals were in excess of 200 mm over southwestern as well as central Taiwan. However, not much rainfall occurred over northern Taiwan. The lack of rainfall over northern Taiwan also occurred on August 11, 12 and 13. The larger rainfall amounts shifted westward from the sloped areas on August 10 toward lower terrain on August 11. On August 12 and 13, most of the higher rainfall amounts were found over the coastal area in southwestern Taiwan. Notably, about 300 to 400 mm per day fell over the coastal area in southwest Taiwan on August 12 and 13. The distribution of rainfall amount was different on August 10 and 11 (termed as Case 1) compared to August 12 and 13 (termed as Case 2). The environmental situation and precipitation characteristics are analyzed using EC/TOGA data, ground-based radar data, surface rainfall patterns, surface wind data, and upper air soundings. Chen at al. (2001) also categorized the precipitation pattern into two types, propagating and quasi-stationary. For the propagating type of precipitation, rainrates increased or remained the same as systems went from the plains to mountainous regions. With the quasi-stationary type of precipitation, however, rainrates decreased as precipitation propagated across the plains and into the mountains. The focus of this study is to understand what causes the h1aher amounts of rainfall over Taiwan, and what factors influence where the higher amounts of rainfall will occur, over sloped areas or over coastal areas.

Tao, W.-K.↗
NASA NTRS2001

The Impact of TRMM Data on Mesoscale Numerical Simulation of Super Typhoon Paka

Accurate measurement of the spatial and temporal variations of tropical rainfall around the globe had remained as a critical problem in meteorology until the recent launch of the Tropical Rainfall Measuring Mission (TRMM). TRMM offers a unique opportunity to improve understanding of tropical meteorology and also offers a great opportunity to evaluate the impact of rainfall data on tropical weather forecasts. This study assesses the impact of TRMM Microwave Imager (TMI) derived surface rainfall data on the numerical simulation of Super Typhoon Paka (1997).

Pu, Zhao-Xia↗
DOE OSTI2020

3D micromechanical simulation of PBX composites

Previous research studied the constitutive response and interface strength of a bonded bicrystal system containing two HMX explosive grains bound with a HTPB polymer binder by performing FE simulations on real geometry imaged with micro Computed Tomography (µCT). The parameters generated from this past study were successfully applied to 2D mesoscale simulations of µCT imaged HMX-HTPB polycrystal samples. Presently, the mechanical response of PBXs containing a Nitro-Plasticized Estane (NPE) binder with similar microstructural geometry to the HMX-HTPB polycrystal samples were studied. Imaging of a HMX-NPE bicrystal sample allowed for simulation of the new material pairing. However, imaging using µCT techniques on the new polycrystal samples was difficult due to the decrease in contrast between the HMX grains and the NPE binder. Mesoscale polycrystal simulations utilizing a single µCT imaged microstructure were performed on a 3D representative volume element (RVE) comparing the delamination behavior and mechanical response of both HMX-HTPB and HMX-NPE PBXs. Furthermore, this technique shows the ability to virtually explore the mechanical response of a range of hypothetical materials that share common microstructural geometric characteristics in addition to studying numerically altered geometries.

36 MATERIALS SCIENCE↗
NASA NTRS2015

Applying Advanced Ground-Based Remote Sensing in the Southeast Asian Maritime Continent to Characterize Regional Proficiencies in Smoke Transport Modeling

This work describes some of the most extensive ground-based observations of the aerosol profile collected in Southeast Asia to date, highlighting the challenges in simulating these observations with a mesoscale perspective. An 84-h WRF Model coupled with chemistry (WRF-Chem) mesoscale simulation of smoke particle transport at Kuching, Malaysia, in the southern Maritime Continent of Southeast Asia is evaluated relative to a unique collection of continuous ground-based lidar, sun photometer, and 4-h radiosonde profiling. The period was marked by relatively dry conditions, allowing smoke layers transported to the site unperturbed by wet deposition to be common regionally. The model depiction is reasonable overall. Core thermodynamics, including landsea-breeze structure, are well resolved. Total model smoke extinction and, by proxy, mass concentration are low relative to observation. Smoke emissions source products are likely low because of undersampling of fires in infrared sun-synchronous satellite products, which is exacerbated regionally by endemic low-level cloud cover. Differences are identified between the model mass profile and the lidar profile, particularly during periods of afternoon convective mixing. A static smoke mass injection height parameterized for this study potentially influences this result. The model does not resolve the convective mixing of aerosol particles into the lower free troposphere or the enhancement of near-surface extinction from nighttime cooling and hygroscopic effects.

Aerosols; Air quality; Lidars/Lidar observations; ↗
DOE OSTI2022

Computing diffraction patterns of microstructures from phase-field simulations

The diffraction pattern of a material contains information not only on the crystal structures of its constituting phases, but also on its mesoscale spatial distributions of phases, grains, and ferroelastic, ferroelectric, and ferromagnetic domains. While diffraction patterns from experiments such as X-ray diffraction are presented in the reciprocal or Fourier space, mesoscale microstructure models such as the phase-field method naturally produce real-space images of spatial distribution of chemical composition, structural, and ferroic domains. Although one could rather readily compute the Fourier amplitudes of chemical and structural domain distributions generated by mesoscale simulations, they only contain information about the length scale and alignment of the real-space chemical and structure domains. Therefore, a direct comparison between diffraction experiments and mesoscale microstructure simulations is not possible. Here, we develop a theoretical approach to directly compute the crystal diffraction patterns of microstructures predicted by phase-field simulations. In particular, we consider five representative examples of microstructure patterns involving purely compositional domains, a single pair of tetragonal twin structures, multiple twin variants in a hexagonal system, ferroelectric polar vortices, and polycrystalline grains. The results are compared with previous experimental observations as well as X-ray diffraction experiments performed in the present study. Furthermore, the theoretical framework allows one to directly connect material microstructures and diffraction patterns predicted from phase-field simulations and the corresponding diffraction patterns from experiments, and thus providing guidance to experimental diffraction characterization and interpretation of microstructures.

36 MATERIALS SCIENCE↗