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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

An Efficient Numerical Algorithm for Solving Coupled Time-Dependent Ginzburg-Landau Equation for Superconductivity and Elasticity

A decoupled finite element algorithm is developed for simulating the vortex dynamics on an elastic superconductor which couples the time-dependent Ginzburg- Landau equation with the complex-valued superconducting order parameter and the vector-valued magnetic potential, and the elasticity equation. We present an iterative algorithm for the decoupled system arising from the time and spatial discretization using a combination of preconditioner, algebraic multigrid method (AMG) and preconditioned conjugate gradient method (PCG). The iterative algorithm allows us to perform large-scale three-dimensional simulations of mesoscale pattern formation during superconducting phase transitions with arbitrary elastic boundary conditions. Here, the performance and efficiency of the algorithm are numerically verified by several benchmark problems, exhibiting up to two orders of magnitude improvement depending on the scale of discrete system compared to the exact solver.

Efficiency↗
DOE OSTI2022

Evaluation of the Fitch Wind-Farm Wake Parameterization with Large-Eddy Simulations of Wakes Using the Weather Research and Forecasting Model

Abstract Wind-farm parameterizations in weather models can be used to predict both the power output and farm effects on the flow; however, their correctness has not been thoroughly assessed. We evaluate the wind-farm parameterization of the Weather Research and Forecasting Model with large-eddy simulations (LES) of the wake performed with the same model. We study the impact on the velocity and turbulence kinetic energy (TKE) of inflow velocity, roughness, resolution, number of turbines (one or two), and inversion height and strength. We compare the mesoscale with the LES by spatially averaging the LES within areas correspondent to the mesoscale horizontal spacing: one covering the turbine area and two downwind. We find an excellent agreement of the velocity within the turbine area between the two types of simulations. However, within the same area, we find the largest TKE discrepancies because in mesoscale simulations, the turbine-added TKE has to be highest at the turbine position to be advected downwind. Within the downwind areas, differences between velocities increase as the wake recovers faster in the LES, whereas for the TKE both types of simulations show similar levels. From the various configurations, the impact of inversion height and strength is small for these heights and inversion levels. The highest impact for the one-turbine simulations appears under the low-speed case due to the higher thrust, whereas the impact of resolution is low for the large-eddy simulations but high for the mesoscale simulations. Our findings demonstrate that higher-fidelity simulations are needed to validate wind-farm parameterizations.

17 WIND ENERGY↗
DOE OSTI2016

A new vertical grid nesting capability in the Weather Research and Forecasting (WRF) Model

Mesoscale atmospheric models are increasingly used for high-resolution (<3 km) simulations to better resolve smaller-scale flow details. Increased resolution is achieved using mesh refinement via grid nesting, a procedure where multiple computational domains are integrated either concurrently or in series. A constraint in the concurrent nesting framework offered by the Weather Research and Forecasting (WRF) Model is that mesh refinement is restricted to the horizontal dimensions. This limitation prevents control of the grid aspect ratio, leading to numerical errors due to poor grid quality and preventing grid optimization. Here, a procedure permitting vertical nesting for one-way concurrent simulation is developed and validated through idealized cases. The benefits of vertical nesting are demonstrated using both mesoscale and large-eddy simulations (LES). Mesoscale simulations of the Terrain-Induced Rotor Experiment (T-REX) show that vertical grid nesting can alleviate numerical errors due to large aspect ratios on coarse grids, while allowing for higher vertical resolution on fine grids. Furthermore, the coarsening of the parent domain does not result in a significant loss of accuracy on the nested domain. LES of neutral boundary layer flow shows that, by permitting optimal grid aspect ratios on both parent and nested domains, use of vertical nesting yields improved agreement with the theoretical logarithmic velocity profile on both domains. Lastly, vertical grid nesting in WRF opens the path forward for multiscale simulations, allowing more accurate simulations spanning a wider range of scales than previously possible.

17 WIND ENERGY↗
DOE OSTI2018

Assessment of mesoscale solid stress in coarse‐grid TFM simulation of Geldart A particles in all fluidization regimes

This study focused on assessing the effect of mesoscale solid stress in the coarse grid two‐fluid model (TFM) simulation of gas–solid fluidized beds of Geldart Group A particles over a broad range of flow regimes, including bubbling, turbulent, fast, and pneumatic transport fluidization regimes. Particularly, the impact of mesoscale solid pressure, mesoscale solid viscosity, and mesoscale solid stress anisotropy were investigated by comparing six different coarse‐grid TFM settings. Compared with the available experimental data, it is found that both the kinetic theory‐based TFM with only drag correction and the filtered TFM can predict the flow behavior in all fluidization regimes. Mesoscale solid pressure and viscosity have the opposite impact on flow hydrodynamics; they compete and offset each other, which confirms the assumption employed in many previous studies that the mesoscale solid stress could be neglected in coarse‐grid TFM simulation. Published 2018. This article is a U.S. Government work and is in the public domain in the USA. AIChE J , 64: 3565–3581, 2018

Gao, Xi↗
DOE OSTI2026

Investigating shock-induced chemical reactions in Ni+Al multilayers: A continuum-based mesoscale approach with Arrhenius kinetics and artificial thermal conduction

A new continuum-based mesoscale modeling approach for shock-induced chemical reactions (SICRs) in Ni+Al multilayers is demonstrated in Sandia’s shock physics hydrocode, CTH. The approach utilizes Arrhenius-type kinetics and artificial thermal conduction. Our work builds upon previous efforts to parameterize equations of state for Ni x Al y [J. Appl. Phys. 137, 075102 (2025)], as well as simulations of inert shocks in realistic 2D microstructures [J. Appl. Phys. 137, 225301 (2025)]. To calibrate the reaction kinetics, pairs of the reaction coordinate, R′, vs time are extracted from the molecular dynamics (MD) literature. Here, the MD-informed kinetics are used to simulate the dynamic evolution of pressure and temperature in 2D mesoscale simulations. Overall, the MD-informed kinetics obtained for planar interfaces are too slow, as initial reaction is not observed on a nanosecond time scale. Even with quasi-periodic shock focusing leading to the formation of so-called “hot-spots,” the hot spots are unable to grow and coalesce using the fitted Arrhenius rate constants. However, by increasing the rate constants by two orders of magnitude, SICRs are observed at a shock pressure near 30 GPa, which is supported by experiments. Consequently, these mesoscale simulations suggest that unresolved shear-based mechanical mixing might possibly account for the discrepancies in kinetic rates, with shock-generated intense perturbations, interfacial vortical flows, and elevated temperatures serving as favorable reaction conditions. Future work will calibrate a shear-dependent reaction rate from the MD simulations with realistic interfaces that are wavy, diffuse, and disordered.

Kittell, David E. [Sandia National Laboratories (S↗
DOE OSTI2014

Coupling a Mesoscale Numerical Weather Prediction Model with Large-Eddy Simulation for Realistic Wind Plant Aerodynamics Simulations (Poster)

Wind plant aerodynamics are influenced by a combination of microscale and mesoscale phenomena. Incorporating mesoscale atmospheric forcing (e.g., diurnal cycles and frontal passages) into wind plant simulations can lead to a more accurate representation of microscale flows, aerodynamics, and wind turbine/plant performance. Our goal is to couple a numerical weather prediction model that can represent mesoscale flow [specifically the Weather Research and Forecasting model] with a microscale LES model (OpenFOAM) that can predict microscale turbulence and wake losses.

17 WIND ENERGY↗
NASA NTRS2000

Kinematic and Microphysical Structures of Hurricane Bob (1991) Determined from a 1.3-km-Resolution Numerical Simulation

Hurricane Bob (1991) is simulated using the Penn State/NCAR mesoscale model MM5. The simulation is conducted for a 24-h period at 4-km resolution and for a 6-h period at 1.3-km resolution. The 4-km simulation is able to fairly realistically capture the intensity and structure of the storm. The 1.3-km simulation depicts very small-scale convective structures and produces a convective band outside of the eye wall that did not occur in the 4-km simulation. The 1.3-km results are used to characterize several kinematic and cloud microphysical structures in the storm. Characteristics of air parcels flowing into and rising within the eye wall will be examined through trajectory calculations.

Braun, Scott A.↗
NASA NTRS2000

Kinematic and Thermodynamic Structures of Hurricane Bob (1991) Determined From A 1.3-KM Resolution Numerical Simulation

Hurricane Bob (1991) is simulated using the Penn State/NCAR mesoscale model MM5. The simulation is conducted for a 24-h period at 4-km resolution and for a 6-h period at 1.3-km resolution. The 4-km simulation is able to fairly realistically capture the intensity and structure of the storm. The 1.3-km simulation depicts very small-scale convective structures and produces a convective rain band outside of the eye wall that did not occur in the 4-km simulation. The 1.3-km results are used to characterize several kinematic structures in the storm, including low-level outflow in the eye wall, multiple outflows at upper levels, and the convective rain band structure outside of the eye wall. Thermodynamic characteristics of air parcels flowing into and rising within the eye wall will also be examined through trajectory calculations.

Braun, Scott A.↗
NASA NTRS1986

Impact of the initial specification of moisture and vertical motion on precipitation forecasts with a mesoscale model Implications for a satellite mesoscale data base

Using a numerical mesoscale model, four simulations were performed to determine the effects of suppressing the initial mesoscale information in the moisture and wind fields on the precipitation forecasts. The simulations included a control forecast 12-h simulation that began at 1200 GMT March 1982 and three experiment simulations with modifications to the moisture and vertical motion fields incorporated at 1800 GMT. The forecasts from 1800 GMT were compared to the second half of the control forecast. It was found that, compared to the control forecast, suppression of the moisture and/or wind initial field(s) produces a drier forecast. However, the characteristics of the precipitation forecasts of the experiments were not different enough to conclude that either mesoscale moisture or mesoscale vertical velocity at the initial time are more important for producing a forecast closer to that of the control.

Mlynczak, Pamela E.↗
DOE OSTI2023

Grid Spacing Sensitivities of Simulated Mid-Latitude and Tropical Mesoscale Convective Systems in the Convective Gray Zone

The main objective of this study is to observationally constrain processes in tropical and midlatitude mesoscale convective systems (MCSs), and to use these constraints for model evaluation. To accomplish this, we leverage MCS observations collected at the U.S. DOE Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site in Oklahoma and ARM's mobile GoAmazon2014/15 site in Manaus, Brazil (MAO). We simulate 13 and 11 of these observed MCSs at the SGP and MAO site, respectively, using the Weather Research and Forecasting model at 12-, 4-, 2-, and 1-km horizontal grid spacing. Observations from radiosondes, surface meteorology, and radar wind profilers are used to characterize MCS properties, such as MCS timing and location, cold pools, and convective drafts, and evaluate these simulations. SGP cases are found in better agreement with observations than MAO cases, and when simulated at 2 km, outperform simulations at 1 km regarding the timing of MCS overpass and the accuracy of surface variable trends. MAO simulations suggest a consistent improvement in model accuracy with increasing model resolution in depicting the downdraft structure, the timing of MCSs, and the surface variables changes, except for the latter two metrics at 2 km. Deficiencies are still evident at km-scales, suggesting the need for higher resolution to simulate tropical MCSs. Overall, location-dependent improvements in MCS representation are obtained with the increasing model resolution, prompting the evaluation of sub-km scale simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Grain growth in U–7Mo alloy: A combined first-principles and phase field study

Grain size is an important factor in controlling the swelling behavior in irradiated U-Mo dispersion fuels. Increasing the grain size in U-Mo fuel particles by heat treatment is believed to delay the fuel swelling at high fission density. In this work, a multiscale simulation approach combining first-principles calculation and phase field modeling is used to investigate the grain growth behavior in U-7Mo alloy. The density functional theory based first-principles calculations were used to predict the material properties of U-7Mo alloy. The obtained grain boundary energies were then adopted as an input parameter for mesoscale phase field simulations. The effects of annealing temperature, annealing time and initial grain structures of fuel particles on the grain growth in U-7Mo alloy were examined. The predicted grain growth rate was compared well with the empirical correlation derived from experiments.

Mei, Zhi-Gang↗
DOE OSTI2021

Flow reduction of hydrocarbon liquid in silica nanochannel: Insight from many-body dissipative particle dynamics simulations

A modified many-body dissipative particle dynamics (mDPD) model recently developed for realistic mesoscale multiphase flow simulations is rigorously parameterized, calibrated, and applied for elucidating the flow mechanisms of hydrocarbon liquids (i.e., heptane in this work) in amorphous silica cylindrical nanochannels with inner diameters ranging from 4.5 to 22.5 nm. The simulation results suggest the presence of a strong threshold of pressure gradient under which heptane cannot be driven to flow. The threshold for the 4.5 nm diameter pore is 10 to 100 times as high as for the 9–22.5 nm diameter pore, highlighting a remarkable nanoconfinement effect. Fluid viscosity is found to exhibit a shear-thinning phenomenon with intensity to weaken with increasing channel diameter — a phenomenon not observed in nanochannel flow of liquid water and gas in literature. Most remarkably, the radial profiles of average longitudinal flow velocity fitted by the modified Hagen-Poiseuille equation showed a negative slip length (–2.5% to –0.5% relative to the diameter) and a reduction of apparent permeability by 16% to 23%. Furthermore, this finding suggests silica nanochannels tend to deter hydrocarbon flow, a phenomenon that is opposed to the flow enhancement reported in most of the prior nanochannel flow studies in literature.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1983

Simulation of terrain effects using a mesoscale mixed-layer model

The model discussed here is described in the study by Han et al. (1982) and is based on the shallow-water equations. It is noted that the mixed layer is another name for the earth's turbulent boundary layer when the latter is well stirred vertically, as under typical daytime conditions over land. The model abbreviates the vertical resolution by using only one and one-half layers; in this way, the computer power can be concentrated on the horizontal resolution of topographic effects. It is found that a steady flow pattern evolves over terrain when steady forcing occurs in the absence of surface heating or mixed-layer entrainment and that this simplification is removed when surface heating and entrainment do occur. While these findings are regarded as interesting, it is believed that they may be model dependent. The pressure adjustments upon the mixed layer caused by air movements above the mixed layer may be sufficient to preclude the evolution of a steady state on the mesoscale, even under the most ideal conditions.

Deardorff, J. W.↗
DOE OSTI2025

Flower‐Type Organized Trade‐Wind Cumulus: A Multi‐Day Lagrangian Large Eddy Simulation Intercomparison Study

Shallow cumulus cloud fields in subtropical marine trade wind environments, particularly over the tropical Atlantic Ocean, show distinct organizational patterns. Among these, Flower‐type clouds are characterized by expansive stratiform cloud patches surrounded by regions of scattered convection. The objectives of this study were (a) to construct a case study of a time period during the EUREC 4 A/ATOMIC field campaign when Flower‐type organization was observed, (b) to evaluate the fidelity of a multi‐model ensemble of large eddy simulations of that case, and (c) to analyze the interaction between cloud and precipitation processes and mesoscale organization in the simulations. The simulations follow a quasi‐Lagrangian trajectory, allowing mesoscale features to develop over time in a domain that follows the boundary‐layer airmass. The results show a broad agreement in simulated thermodynamic properties across different LES codes, with Flower‐type cloud patches appearing within hours of each other. The consensus among models is consistent with observations made during the EUREC 4 A/ATOMIC field campaign on the specific day of interest. The cloud structure reveals three distinct peaks in the joint probability densities of cloud base and cloud top height, with the dominant peak at any given time influenced by the stage of cloud organization. The simulated cloud system evolution reveals consistent occurrence of maxima in liquid water path and rain rate before Flower reaches its maximum length scale. Targeted sensitivity tests reveal a weak relationship between Cloud Droplet Number concentration and the extent/degree/type of organization.

EUREC4A↗
NASA NTRS2004

A Study of Mesoscale Gravity Waves over the North Atlantic with Satellite Observations and a Mesoscale Model

Satellite microwave data are used to study gravity wave properties and variabilities over the northeastern United States and the North Atlantic in the December-January periods. The gravity waves in this region, found in many winters, can reach the stratopause with growing amplitude. The Advanced Microwave Sounding Unit-A (AMSU-A) observations show that the wave occurrences are correlated well with the intensity and location of the tropospheric baroclinic jet front systems. To further investigate the cause(s) and properties of the North Atlantic gravity waves, we focus on a series of wave events during 19-21 January 2003 and compare AMSU-A observations to simulations from a mesoscale model (MM5). The simulated gravity waves compare qualitatively well with the satellite observations in terms of wave structures, timing, and overall morphology. Excitation mechanisms of these large-amplitude waves in the troposphere are complex and subject to further investigations.

mesoscale gravity waves↗
DOE OSTI2019

Report of the Atmosphere to Electrons Mesoscale-to-Microscale Coupling Project (FY2019)

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 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: 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 develop estimates of the relative uncertainty. 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. Improve representation of the surface layer in microscale models to enhance simulations of hub-height wind speed. 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. Prepare documentation and a suite of software tools that can be used across the community. Transition MMC research to the offshore environment.

17 WIND ENERGY↗
DOE OSTI2021

Damage development in neutron-irradiated concrete in a test reactor: Hygro-thermal and mechanical simulations

This paper reports the development of a 3D mesoscale hygro-thermal-mechanical simulation approach to predict damage in concrete irradiated in a test reactor. This framework, developed in MOOSE, considers the effects of elevated temperature, moisture content, and high neutron fluence (energy threshold, E > 0.1 MeV) on the mortar and aggregates separately. The first-stage simulation implements hygro-thermal analysis to determine the temperature and RH inside the specimen as a function of imposed radiation energy. These are used as inputs to the second stage, which considers radiation-induced volumetric expansion (RIVE) of aggregates, and creep, shrinkage, and stress-strain response of mortar to predict the expansion, stresses, and damage in specimens made using different coarse aggregates and subjected to different irradiation times. The irradiation time-dependent damage in the mortar is expressed using an isotropic damage parameter. This multi-physics model serves as a predictive tool for damage quantification in concrete due to neutron irradiation.

36 MATERIALS SCIENCE↗