Search NASA⌕ Search

SEARCH · Search NASA

Results for “mesoscale simulations”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

High-performance multiblock PEMs containing a highly acidic fluorinated-hydrophilic domain for water electrolysis

The present paper describes the design and evaluation of novel hydrophilic–hydrophobic poly(arylene ether sulfone) (PAES) multiblock copolymers for their synergistic effects upon transport properties and their potential use in proton exchange membrane water electrolysis. The multiblock copolymers are prepared via a coupling reaction between (i) a hydrophilic segment consisting of a disulfonated quinone fluorinated biphenyl group that contains fluorine moieties next to the sulfonated groups to increase the acidity, and (ii) hydrophobic segments composed of non-sulfonated biphenyl sulfone to provide dimensional stability. Two different lengths (molecular weights; 5k and 10k, where k represents 10 3 g mol -1 ) of hydrophobic segments are used to investigate the effects of the membrane properties compared with those of Nafion® and PAES random copolymer (i.e., BPSH40). Atomic force microscopy images of the BPSH40 and multiblock membranes are shown to agree closely with a mesoscale simulation, thus confirming the importance of the morphological effect upon the transport properties. Furthermore, the multiblock copolymer with a higher proportion of hydrophilic segments (10 k–5k) was shown to provide enhanced performance (3.41 A cm -2 at 1.9 V) compared to the multiblock copolymer with equal proportions of hydrophilic and hydrophobic segments (10 k–10 k) due to the greater continuity of nano-sized ionic channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 NTRS1991

Model studies on the role of moist convection as a mechanism for interaction between the mesoscales

A three year research effort is described which had as its goal the development of techniques to improve the numerical prediction of cumulus convection on the meso-beta and meso-gamma scales. Two MESO models are used, the MASS (mesoscale) and TASS (cloud scale) models. The primary meteorological situation studied is the 28-29 Jun. 1986 Cooperative Huntsville Meteorological Experiment (COHMEX) study area on a day with relatively weak large scale forcing. The problem of determining where and when convection should be initiated is considered to be a major problem of current approaches. Assimilation of moisture data from satellite, radar, and surface data is shown to significantly improve mesoscale simulations. The TASS model is shown to reproduce some observed mesoscale features when initialized with 3-D observational data. Convection evolution studies center on comparison of the Kuo and Fritsch-Chappell cumulus parameterization schemes to each other, and to cloud model results. The Fritsch-Chappell scheme is found to be superior at about 30 km resolution, while the Kuo scheme does surprisingly well in simulating convection down to 10 km in cases where convergence features are well-resolved by the model grid. Results from MASS-TASS interaction experiments are presented and discussed. A discussion of the future of convective simulation is given, with the conclusion that significant progress is possible on several fronts in the next few years.

Waight, Kenneth T., III↗
DOE OSTI2022

Overestimated Eddy Kinetic Energy in the Eddy‐Rich Regions Simulated by Eddy‐Resolving Global Ocean–Sea Ice Models

Abstract The performance of eddy‐resolving global ocean–sea ice models in simulating mesoscale eddies is evaluated using six eddy‐resolving experiments forced by different atmospheric reanalysis products. Interestingly, eddy‐resolving ocean general circulation models (OGCMs) tend to simulate more (less) energetic eddy‐rich (eddy‐poor) regions with a smaller (larger) spatial extent than satellite observation, which finally shows that larger (smaller) mesoscale energy intensity (EI) is simulated in the eddy‐rich (eddy‐poor) regions. Quantitatively, there is an approximately 27%–60% overestimation of EI in the eddy‐rich regions, which are mainly located in the Kuroshio–Oyashio Extension, the Gulf Stream, and the Antarctic Circumpolar Currents regions, although the global mean EI is underestimated by 25%–45%. Apparently, the eddy kinetic energy in the eddy‐poor region is underestimated. Further analyses based on coherent mesoscale eddy properties show that the overestimation in the eddy‐rich regions is mainly attributed to mesoscale eddies’ intensity and is more prominent when mesoscale eddies are in their growth stage.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

Mesoscale-cloud scale simulation of convective response

The importance of mesoscale moisture information in the forecasting of weather events is being studied. A test is being prepared with the March 6, 1982 Vertical Atmospheric Sounder/Atmospheric Variability Experiment (VAS/AVE) case study to be run on the sub-synoptic scale model (SSM). Intracomparison of three carefully designed simulations should isolate the role of mesoscale information in the initial conditions for both moisture and vertical motion. Three simulations will be made for the period 1200Z 6 March to 0000Z 7 March starting with the regular synoptic time data of 1200Z. The distinction between the three cases arises from data manipulation at 1800Z midway through the forecast period. Comparison of results for the 1800Z to 0000Z time period will give the information desired.

Kopp, F. J.↗
NASA NTRS1986

Initialization of a mesoscale model with satellite derived temperature profiles

The abilities of rawinsonde data and Tiros-N satellite derived temperature profile data to depict mesoscale precipitation accumulation are evaluated. Four mesoscale simulations using combinations of temperature, low-level wind, and low-level wind initialization were performed with the limited area mesoscale prediction system (LAMPS) model. Comparisons of the simulations with operational LFM forecast accumulations reveal that the LAMPS model simulations provide a better depiction of the observed precipitation accumulation than the LFM forecasts, and the satellite temperature profiles produce better mesoscale precipitation accumulation forecasts than the rawinsonde temperature data.

Kalb, Michael W.↗
DOE OSTI2023

Mechanistic FCCI model for BISON

In this report, multi-scale simulations to develop a mechanistic model of fuel-cladding chemical interaction (FCCI) conducted under the auspices of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in FY23 are described. The model assumes that cladding wastage is dominated by the intermetallic phase (Fe,Cr)$_{17}$Nd$_2$, and calculates production and diffusion of Nd in the fuel, diffusion into the cladding, and formation and growth of the intermetallic wastage layer. Atomistic simulations are used to calculate diffusivity of Nd in the (Fe,Cr) system. Mesoscale simulations, informed by previous atomistic calculations, are used to determine the effective diffusivity of Nd through the fuel, accounting for empty and sodium-filled porosity within the fuel. The BISON model incorporates this data and calculates the wastage layer thickness as a function of time, assuming parabolic growth kinetics based on the best available data. The results of the new mechanistic BISON model are compared to existing assessment cases for the X447 experiment in EBR-II, and show good agreement with experimental data and the existing BISON empirical model. To improve predictions of kinetics for future work, a phase-field model that includes fuel, wastage, and cladding phases is developed. Preliminary testing indicates that the kinetics may differ significantly from the assumed parabolic growth law, suggesting direction for future improvement of the model that will allow it to be applied to other fuel designs with greater confidence.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

The sensitivity of the Fitch wind farm parameterization to a three-dimensional planetary boundary layer scheme

Abstract. Wind plant wake impacts can be estimated with a number of simulation methodologies, each with its own fidelity and sensitivity to model inputs. In turbine-free mesoscale simulations, hub-height wind speeds often significantly vary with the choice of a planetary boundary layer (PBL) scheme. However, the sensitivity of wind plant wakes to a PBL scheme has not been explored because, as of the Weather Research and Forecasting model v4.3.3, wake parameterizations were only compatible with one PBL scheme. We couple the Fitch wind farm parameterization with the new NCAR 3DPBL scheme and compare the resulting wakes to those simulated with a widely used PBL scheme. We simulate a wind plant in pseudo-steady states under idealized stable, neutral, and unstable conditions with matching hub-height wind speeds using two PBL schemes: MYNN and the NCAR 3DPBL. For these idealized scenarios, average hub-height wind speed losses within the plant differ between PBL schemes by between −0.20 and 0.22 m s−1, and correspondingly, capacity factors range between 39.5 %–53.8 %. These simulations suggest that PBL schemes represent a meaningful source of modeled wind resource uncertainty; therefore, we recommend incorporating PBL variability into future wind plant planning sensitivity studies as well as wind forecasting studies.

17 WIND ENERGY↗
NASA NTRS1993

A Novel Method for Characterization of Superconductors: Physical Measurements and Modeling of Thin Films

A method for characterization of granular superconducting thin films has been developed which encompasses both the morphological state of the sample and its fabrication process parameters. The broad scope of this technique is due to the synergism between experimental measurements and their interpretation using numerical simulation. Two novel technologies form the substance of this system: the magnetically modulated resistance method for characterizing superconductors; and a powerful new computer peripheral, the Parallel Information Processor card, which provides enhanced computing capability for PC computers. This enhancement allows PC computers to operate at speeds approaching that of supercomputers. This makes atomic scale simulations possible on low cost machines. The present development of this system involves the integration of these two technologies using mesoscale simulations of thin film growth. A future stage of development will incorporate atomic scale modeling.

Kim, B. F.↗
DOE OSTI2024

A protocol and analysis of year-long simulations of global storm-resolving models and beyond

We propose a protocol to evaluate and analyze year-long simulations of global storm-resolving models (GSRMs). The proposed protocol complements an earlier 40-day simulation protocol under the DYAMOND (DYnamics of the Atmospheric general circulation Modeled On Non-hydrostatic Domains) project to allow the analysis of the seasonal cycle and associated climatic relevant phenomena. This intercomparison aims to reveal how GSRMs, which can simulate mesoscale convective systems (MCSs) in the global domain, reproduce atmospheric large-scale structures related to convection beyond month-long simulations. The intercomparison for one-year simulations is conducted by either atmosphere-only models or atmosphere–ocean coupled models with atmospheric horizontal mesh sizes less than 5 km. We recommend the continuous four seasons from March 2020 to February 2021 as a target period for the intercomparison but with options for many groups to join more flexibly. The output variables are collected at 0.25° resolution, and archives of a small set of native grid variables are encouraged to analyze tropical cyclones and MCSs. Through the proposed global storm-resolving simulation, we will evaluate the climatological distributions of the atmospheric large-scale circulations, such as the Intertropical Convergence Zone (ITCZ), monsoon, midlatitude jets, their time evolution, and the upscale impacts on them. We present sample analyses from a one-year simulation using the 3.5 km mesh Nonhydrostatic Icosahedral Atmospheric Model (NICAM), revealing the realistic zonal contrast of tropical precipitation, no double ITCZ structure, the reasonable midlatitude jet position and intensity but a weak bias of storm track activities, and a warm bias over the Eurasia during boreal winter. We also clarify the cross-scale interaction, such as the effects of cold pools on mean precipitation over the Maritime Continent through the precipitation diurnal cycle and the effects of resolved gravity waves on midlatitude mean flows. The proposed one-year simulation protocol is referred to as the “Sendai Protocol.” This protocol is not unique or definite for evaluating GSRMs; we prospect a hierarchical set of experiments from short-term to multi-year simulations as GSRM intercomparisons.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Minimization of Cathode|Solid-Electrolyte Interfacial Delamination through the Application of Interphase Layers

Next-generation lithium-ion batteries are expected to use solid electrolytes (SEs) to enable higher energy density and extreme fast-charge capabilities. One major mode of degradation at the cathode|SE interface is delamination between the cathode active materials and SEs, which leads to performance decay. Experimental observations indicate that implementation of interphase layers can minimize the cathode|SE delamination induced capacity fade. A multiscale computational methodology is developed here to investigate the applicability of boron substituted lithium carbonate (Li 2+x B x C 1–x O 3 , x = 0.5, or LBCO) to minimize the delamination at the cathode|SE interface. Atomistic simulations indicate that the fracture energies at both the cathode|LBCO and LBCO|SE interfaces are higher than those at the cathode|SE interface, which reduces the extent of delamination. Mesoscale simulations indicate that, apart from increasing the fracture energy, decreasing the evolution of strain energy by lowering the elastic modulus of the interphase layer can also minimize the extent of delamination at the cathode|SE interface. However, the adoption of an interphase layer with high ionic conductivity is necessary to minimize the ohmic losses during operation at higher current densities. This study provides guidance on selecting interphase layers with specific properties and thicknesses to minimize both interfacial delamination and impedance growth.

LBCO↗
NASA NTRS2016

Tropical Waves and the Quasi-Biennial Oscillation in a 7-km Global Climate Simulation

This study investigates tropical waves and their role in driving a quasi-biennial oscillation (QBO)-like signal in stratospheric winds in a global 7-km-horizontal-resolution atmospheric general circulation model. The Nature Run (NR) is a 2-year global mesoscale simulation of the Goddard Earth Observing System Model, version 5 (GEOS-5). In the tropics, there is evidence that the NR supports a broad range of convectively generated waves. The NR precipitation spectrum resembles the observed spectrum in many aspects, including the preference for westward-propagating waves. However, even with very high horizontal resolution and a healthy population of resolved waves, the zonal force provided by the resolved waves is still too low in the QBO region and parameterized gravity wave drag is the main driver of the NR QBO-like oscillation (NRQBO). The authors suggest that causes include coarse vertical resolution and excessive dissipation. Nevertheless, the very-high-resolution NR provides an opportunity to analyze the resolved wave forcing of the NR-QBO. In agreement with previous studies, large-scale Kelvin and small-scale waves contribute to the NRQBO driving in eastward shear zones and small-scale waves dominate the NR-QBO driving in westward shear zones. Waves with zonal wavelength,1000 km account for up to half of the small-scale (,3300 km) resolved wave forcing in eastward shear zones and up to 70% of the small-scale resolved wave forcing in westward shear zones of the NR-QBO.

NR-QBO↗
DOE OSTI2023

Ocean Mesoscale and Frontal-Scale Ocean–Atmosphere Interactions and Influence on Large-Scale Climate: A Review

Two decades of high-resolution satellite observations and climate modeling studies have indicated strong ocean–atmosphere coupled feedback mediated by ocean mesoscale processes, including semipermanent and meandrous SST fronts, mesoscale eddies, and filaments. The air–sea exchanges in latent heat, sensible heat, momentum, and carbon dioxide associated with this so-called mesoscale air–sea interaction are robust near the major western boundary currents, Southern Ocean fronts, and equatorial and coastal upwelling zones, but they are also ubiquitous over the global oceans wherever ocean mesoscale processes are active. Current theories, informed by rapidly advancing observational and modeling capabilities, have established the importance of mesoscale and frontal-scale air–sea interaction processes for understanding large-scale ocean circulation, biogeochemistry, and weather and climate variability. However, numerous challenges remain to accurately diagnose, observe, and simulate mesoscale air–sea interaction to quantify its impacts on large-scale processes. This article provides a comprehensive review of key aspects pertinent to mesoscale air–sea interaction, synthesizes current understanding with remaining gaps and uncertainties, and provides recommendations on theoretical, observational, and modeling strategies for future air–sea interaction research.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2003

Radar Reflectivity Simulated by a 2-D Spectra Bin Model: Sensitivity of Cloud-aerosol Interaction

The Goddard Cumulus Ensemble (GCE) model with bin spectra microphysics is used to simulate mesoscale convective systems.The model uses explicit bins to represent size spectra of cloud nuclei, water drops, ice crystals, snow and graupel. Each hydrometeorite category is described by 33 mass bins. The simulations provide a unique data set of simulated raindrop size distribution in a realistic dynamic frame. Calculations of radar parameters using simulated drop size distribution serve as an evaluation of numerical model performance. In addition, the GCE bin spectra modes is a very useful tool to study uncertainties related to radar observations; all the environmental parameters are precisely known. In this presentation, we concentrate on the discussion of Z-R (ZDR-R) relation in the simulated systems. Due to computational limitations, the spectra bin model has been run in two dimensions with 31 stretched vertical layers and 1026 horizontal grid points (1 km resolution). Two different cases, one in midlatitude continent, the other in tropical ocean, have been simulated. The continental case is a strong convection which lasted for two hours. The oceanic case is a persistent system with more than 10 hours' life span. It is shown that the simulated Z-R (ZDR-R) relations generally agree with observations using radar and rain gauge data. The spatial and temporal variations of Z-R relation in different locations are also analyzed. Impact of aerosols on cloud formation and raindrop size distribution was studied. Both clean (low CCN) and dirty (high CCN) cases are simulated. The Z-R relation is shown to vary considerable in the initial CCN concentrations.

Li, Kiaowen↗
NASA NTRS1985

Diagnostics of severe convection and subsynoptic scale ageostrophic circulations

Diagnostics of severe convection and subsynoptic scale ageostrophic circulations are reported. Mesoscale circulations through forcing of ageostrophic motion by adiabatic, diabatic and frictional processes were studied. The development and application of a hybrid isentropic sigma coordinate numerical model was examined. The numerical model simulates mesoscale ageostrophic circulations associated with propagating jet streaks and severe convection. A complete list of publications and these completed through support of the NASA severe storms research project is included.

Source record↗
DOE OSTI2024

Investigation of thermal damage in explosive bridgewire detonators via discrete element method simulations

Exploding bridgewire (EBW) detonators are used to rapidly and reliably initiate energetic reactions by exploding a bridgewire via Joule heating. While the mechanisms of EBW detonators have been studied extensively in nominal conditions, comparatively few studies have addressed thermally damaged detonator operability. We present a mesoscale simulation study of thermal damage in a representative EBW detonator, using discrete element method (DEM) simulations that explicitly account for individual particles in the pressed explosive powder. We use a simplified model of melting, where solid spherical particles undergo uniform shrinking, and fluid dynamics are ignored. The subsequent settling of particles results in the formation of a gap between the solid powder and the bridgewire, which we study under different conditions. In particular, particle cohesion has a significant effect on gap formation and settling behavior, where sufficiently high cohesion leads to coalescence of particles into a free-standing pellet. This behavior is qualitatively compared to experimental visualization data, and simulations are shown to capture several key changes in pellet shape. We derive a minimum and maximum limit on gap formation during melting using simple geometric arguments. In the absence of cohesion, results agree with the maximum gap size. With increasing cohesion, the gap size decreases, eventually saturating at the minimum limit. In conclusion, we present results for different combinations of interparticle cohesion and detonator orientations with respect to gravity, demonstrating the complex behavior of these systems and the potential for DEM simulations to capture a range of scenarios.

cohesive powders↗
DOE OSTI2022

Phase-field simulations to inform nuclear fuel performance modeling

Software tools to simulate nuclear fuel performance at the engineering scale, such as Idaho National Laboratory (INL)’s BISON code, are increasingly relied upon in regulatory and economic decision-making. However, accurate results from these tools depends on the availability of materials parameters that are used as input. In recent years, atomistic and mesoscale simulation methods have emerged as a cost-effective, expedient means to obtain such input parameters. Phase-field simulations using INL’s Marmot application have been used to obtain microstructure-level parameters and to improve material models for fuel performance modeling using BISON. In this talk, recent examples of this process are given, including applications in UO2, U3Si2, and UZr fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

The Role of Unit-Cell Topology in Modulating the Compaction Response of Additively Manufactured Cellular Materials using Simulations and Validation Experiments

Additive manufacturing has enabled a transformational ability to create cellular structures (or foams) with tailored topology. Compared to their monolithic polymer counterparts, cellular structures are potentially suitable for systems requiring materials with high specific energy-absorbing capability to provide enhanced damping. In this work, we demonstrate the utility of controlling unit-cell topology with the intent of obtaining a desired stress–strain response and energy density. Using mesoscale simulations that resolve the unit-cell sub-structures, we validate the role of unit-cell topology in selectively activating a buckling mode and thereby modulating the characteristic stress–strain response. Simulations incorporate a linear viscoelastic constitutive model and a hyperelastic model for simulating large deformation of the polymer under both tension and compression. Simulated results for nine different cellular structures are compared with experimental data to gain insights into three different modes of buckling and the corresponding stress–strain response.

36 MATERIALS SCIENCE↗