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NASA NTRS1991

Mesoscale and large-scale variability of the Antarctic circumpolar current

This investigation of the physical oceanography of the Southern Ocean will carry out two parallel efforts during the years preceding the launch of TOPEX/POSEIDON. First, the Geosat data will be used to develop a preliminary descriptive picture of the mesoscale and large-scale, low-frequency surface circulation of the Southern Ocean. Some of this analysis of Geosat data has already begun. For example, as a measure of the geographical distribution of mesoscale variability, a color-coded map of the standard deviation of sea level from two years of Geosat data is shown. Efforts are presently under way to investigate the seasonal and year-to-year variability of this mesoscale energy. The data are also being used to generate low-pass filtered fields of sea level from which the temporal evolution of large-scale variability in the Southern Ocean may be investigated. The second parallel effort is the development and test of modeling and data assimilation techniques that will later be applied to TOPEX/POSEIDON data during the postlaunch phase. One objective of the modeling and data assimilation is to investigate the relation between mesoscale sea level variations and eddy flux in the Southern Ocean. Uncertainties in present estimates of the various components of meridional oceanic heat transport are large. The evidence presented indicates that the very energetic mesoscale variability in the ACC apparently accounts for much of the estimated 0.45x10(exp 15) watts of poleward heat transport across the ACC required to balance the heat budget. Eddy variability is strongly coherent vertically in the ACC, at least in the vicinity of Drake Passage where nearly all of the historical in situ data have been collected.

Chelton, Dudley B.↗

NASA NTRSDate not supplied

A Study of the Kinematic and Dynamic Processes associated with Mesoscale Snowbands in a Midwest United States Snowstorm on 5 February 2020

Mesoscale snowbands are frequently responsible for dumping large amounts of snow over a relatively small region and pose a considerable forecasting challenge. The present study focuses on the mesoscale snowbands observed on 5 February 2020 over the Midwest United States. In order to improve the forecasting of mesoscale snowbands, it is important to understand the processes that organize these features. To this end, we are investigating the kinematic and dynamic processes that shape the mesoscale snowbands using a combination of high-altitude airborne radar, in-situ aircraft measurements, surface observations, and model simulations. This presentation will primarily focus on the three-dimensional structure of the mesoscale snowbands in terms of EXRAD reflectivity and horizontal winds. The horizontal winds are retrieved from the EXRAD scanning-beam Doppler velocities using a VAD technique. These winds, in combination with virtual potential temperature taken from the HRRR operational analysis, are used to compute the bulk Richardson number in order to investigate any contributions to banding features that might be tied to Kelvin-Helmholtz instability. Our analysis does not support the presence of Kelvin-Helmholtz instability. That said, low, but not subcritical, Richardson numbers were found near the top of some banding features in this event and it is possible that the model analysis is smoothing out the virtual potential temperature fields. Finally, we present arguments for using a flight module designed to sample the along-band structures with particular emphasis on observing generating cells and low-level microphysics.

Charles N. Helms↗

DOE OSTI2023

Multiscale modeling for high burnup structure formation and associated pulverization

This report summarizes the lower length scale modeling work performed in the fiscal year 2023 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstrutural evolution and associated pulverization criteria in the high burnup regions. This year, the resolution mechanisms within the cluster dynamics code has been updated and it influence on the bubble growth in HBS regions at the mesoscale is studied. To improve the accuracy of phase-field models of fission gas bubble growth, a new Helmholtz free energy for high-density Xe gas is derived from a virial equation of state. Two previously used strategies for representing net vacancy production in phase-field models of fission gas bubble growth are compared with each other and with analytical models of bubble growth. The vacancy source only model is found to be more convenient to parameterize realistically compared with the vacancy source+sink model. Furthermore, the phase-field-fracture simulation have been performed using MD- informed failure stress values and realistic HBS structure obtained from the phase-field simulations. We also present the uncertainty bands on prediction of the critical stress to account for the effect of the lower length scale variabilities on the failure criteria at the mesoscale. It is observed that pulverization may occur in partially restructured regions with restructuring fraction as low as 17%. In light of this, an update to the BISON’s pulverization criteria is recommended.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1982

The interactive role of subsynoptic scale jet sreak and planetary boundary layer adjustments in organizing an apparently isolated convective complex

A mesoscale atmospheric simulation system is described that is being developed in order to improve the simulation of subsynoptic and mesoscale adjustments associated with cyclogenesis, severe storm development, and significant atmospheric transport processes. Present emphasis in model development is in the parameterization of physical processes, time-dependent boundary conditions, sophisticated initialization and analysis procedures, nested grid solutions, and applications software development. Basic characteristics of the system as of March 1982 are listed. In a case study, the Grand Island tornado outbreak of 3 June 1980 is considered in substantial detail. Results of simulations with a mesoscale atmospheric simulation system indicate that over the high plains subtle interactions between existing jet streaks and deep well mixed boundary layers can lead to well organized patterns of mesoscale divergence and pressure falls. The amplitude and positioning of these mesoscale features is a function of the subtle nonlinear interaction between the pre-existing jet-streak and deep well mixed boundary layers. Model results for the case study indicate that the model has the potential for forecasting the precursor mesoscale convective environment.

Kaplan, M. L.↗

NASA NTRS2007

Improvements in the Scalability of the NASA Goddard Multiscale Modeling Framework for Hurricane Climate Studies

Improving our understanding of hurricane inter-annual variability and the impact of climate change (e.g., doubling CO2 and/or global warming) on hurricanes brings both scientific and computational challenges to researchers. As hurricane dynamics involves multiscale interactions among synoptic-scale flows, mesoscale vortices, and small-scale cloud motions, an ideal numerical model suitable for hurricane studies should demonstrate its capabilities in simulating these interactions. The newly-developed multiscale modeling framework (MMF, Tao et al., 2007) and the substantial computing power by the NASA Columbia supercomputer show promise in pursuing the related studies, as the MMF inherits the advantages of two NASA state-of-the-art modeling components: the GEOS4/fvGCM and 2D GCEs. This article focuses on the computational issues and proposes a revised methodology to improve the MMF's performance and scalability. It is shown that this prototype implementation enables 12-fold performance improvements with 364 CPUs, thereby making it more feasible to study hurricane climate.

Shen, Bo-Wen↗

DOE OSTI2022

Mechanical Behavior of Additively Manufactured Molybdenum and Fabrication of Microtextured Composites

Refractory metals are a class of high-melting-temperature materials suitable for use in extreme environment applications. Interestingly, during additive manufacturing many pure refractory metals exhibit a switch from (001) to (111) build direction fiber preference with increasing surface energy density. Here we exploit this solidification physics to fabricate material with “mesoscale composite” engineered structures consisting of features with contrasting (001) and (111) build direction microtextures. Separately, elevated temperature tensile testing of EBM fabricated material with a randomized distribution of mixed (001)/(111)-fiber grains is shown to exhibit excellent properties. These results are utilized to build a crystal plasticity model for evaluating the local inelastic response of the composite mesoscale structures. Analysis of printed microstructures and microstructure-scale simulations indicate that both macro-scale and localized material behavior may be tailored. This strategy can be potentially used to synthesize materials with optimized performance for high-temperature applications.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Identifying synoptic controls on boundary layer thermodynamic and cloud properties in a regional forecast model

Although most of our understanding of boundary layer cloudiness is based on idealized, subtropical, barotropic marine environments, boundary layer clouds exist across a range of conditions. In this study, we use the Naval Research Laboratory's Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS) and an automated cold-front-relative analysis framework to explore the boundary layer structure associated with low clouds across a transect through the cold front of a midlatitude synoptic cyclone. The model credibly captures boundary layer structure in line with conceptual models of midlatitude cyclones and ground-based observations at Graciosa Island in the Azores. The warm sector is conditionally unstable, with clouds that are too shallow and with too little liquid water, compared to cloud property retrievals from satellite and surface-based instruments. The cold-frontal region exhibits convection associated with weak stability and ascent. Northwest of the cold front, the boundary layer is well mixed, deeper, and capped by a strong inversion maintained by large-scale subsidence. Simulated clouds in frontal and post-frontal regions are mostly too thick, with too much liquid water and too little cloud base drizzle. The post-frontal clouds are associated with grid-scale updrafts, which appear to be the model's attempt to represent mesoscale organization of cellular convection typically observed in the cold sector of midlatitude cyclones. The deep, well-mixed post-frontal boundary layers and cloudiness are maintained by strong surface fluxes, as in cold air outbreaks. Our analysis framework serves as a unique approach to model verification, and our results offer insights into differences in boundary layer cloud behavior between subtropical and synoptic cold-sector regimes.

Eissner, Jordan M. [Univ. of Kansas, Lawrence, KS ↗

NASA NTRS1984

Cloud scale influences on mesoscale precipitation patterns

A two dimensional time dependent finite difference grid cloud model is discussed. The model simulates atmospheric motions, potential temperature, water vapor, cloud liquid, cloud ice, rain and small hail. Lateral boundary conditions are open allowing flow in and out of the model domain. Various amounts of convergence were simulated to test the effects on cloud initiation and development. Soundings were run and results discussed.

Kopp, F. J.↗

DOE OSTI2024

Using Satellite and ARM Observations to Evaluate Cold Air Outbreak Cloud Transitions in E3SM Global Storm‐Resolving Simulations

Abstract This study examines marine boundary layer cloud regime transition during a cold air outbreak (CAO) over the Norwegian Sea, simulated by a global storm‐resolving model (GSRM) known as the Simple Cloud‐Resolving Energy Exascale Earth System Model Atmosphere Model (SCREAM). By selecting observational references based on a combination of large‐scale conditions rather than strict time‐matched comparisons, this study finds that SCREAM qualitatively captures the CAO cloud transition, including boundary layer growth, cloud mesoscale structure, and phase partitioning. SCREAM also accurately locates the greatest ice and liquid in the mesoscale updrafts, however, underestimates supercooled liquid water in cumulus clouds. The model evaluation approach adopted by this study takes advantages of the existing computational‐expensive global simulations of GSRM and the available observations to understand model performance and can be applied to assessments of other cloud regimes in different regions. Such practice provides valuable guidance on the future effort to correct and improve biased model behaviors.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Morphology and Transport of Multivalent Cation-Exchanged Ionomer Membranes Using Perfluorosulfonic Acid–Ce Z+ as a Model System

Perfluorosulfonic acids (PFSAs) are commonly used as solid polymer electrolyte membranes (PEMs) in electrochemical energy devices, where they are vulnerable to attack by radical species during operation. A popular strategy to combat this problem is to introduce radical scavengers like cerium (Ce) ions that neutralize these species before they attack the PFSA. Such cation doping creates a multi-ion system, in which understanding the mechanisms of cation solvation and transport becomes important for the effective design and utilization of PFSA–cation systems. Ce ions also provide a representative model system for multication-exchanged ionomers in electrochemical systems. In this study, hydration and conductivity measurements, along with X-ray fluorescence and scattering, are employed to elucidate how Ce ion exchange alters PFSA’s ionic solvation, as well as nano- and mesoscale morphologies, which ultimately control its ion transport properties. A molecular transport model is used to deconvolute the impact of Ce ions on the local solvation structure of water in the membrane from mesoscale changes of the transport pathways. The combined experimental and theoretical analysis reveals a nonlinear decrease in conductivity driven by cation solvation at the molecular level and morphological changes at longer length scales. Migration–diffusion coupling, its nonlinear dependence on ion exchange and hydration, and its overall implications for ionomer performance are also discussed. Finally, these findings have the potential to be translated into other mixed cation–ionomer systems for a wide range of energy and environmental devices.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Mesoscale Effects of Composition and Calendering in Lithium-Ion Battery Composite Electrodes

Macrohomogeneous battery models are widely used to predict battery performance, necessarily relying on effective electrode properties, such as specific surface area, tortuosity, and electrical conductivity. While these properties are typically estimated using ideal effective medium theories, in practice they exhibit highly non-ideal behaviors arising from their complex mesostructures. In this paper, we computationally reconstruct electrodes from X-ray computed tomography of 16 nickel–manganese–cobalt-oxide electrodes, manufactured using various material recipes and calendering pressures. Due to imaging limitations, a synthetic conductive binder domain (CBD) consisting of binder and conductive carbon is added to the reconstructions using a binder bridge algorithm. Reconstructed particle surface areas are significantly smaller than standard approximations predicted, as the majority of the particle surface area is covered by CBD, affecting electrochemical reaction availability. Finite element effective property simulations are performed on 320 large electrode subdomains to analyze trends and heterogeneity across the electrodes. Significant anisotropy of up to 27% in tortuosity and 47% in effective conductivity is observed. Electrical conductivity increases up to 7.5× with particle lithiation. We compare the results to traditional Bruggeman approximations and offer improved alternatives for use in cell-scale modeling, with Bruggeman exponents ranging from 1.62 to 1.72 rather than the theoretical value of 1.5. We also conclude that the CBD phase alone, rather than the entire solid phase, should be used to estimate effective electronic conductivity. This study provides insight into mesoscale transport phenomena and results in improved effective property approximations founded on realistic, image-based morphologies.

25 ENERGY STORAGE↗

DOE OSTI2020

Ocean and Sea Ice and their Interactions around Greenland and the West Antarctic Peninsula in Forced Fine-Resolution Global Simulations

Anomalously warm ocean waters have been implicated as the cause of accelerated ablation along the margin of the Greenland ice sheet, as well as the cause of increasing basal melt rate, mass loss, and grounding line retreat of many Antarctic ice shelves. The overarching science objective of this project is to investigate how the interplay of regional processes and decadal changes in local and remote forcing impact the delivery and end member composition of waters over the continental shelves of Greenland and Antarctica. To address this goal, an existing global eddy-active ocean general circulation model (OGCM), coupled to a thermodynamic/dynamic ice model and forced with atmospheric reanalysis fluxes from 1948-2009, was analyzed to understand these processes around the continental margins of Greenland and Antarctica. This simulation did not contain a representation of ice sheet melt or resolve mesoscale eddies over these continental margins, so two new coupled OGCM/sea-ice models were constructed and analyzed to address the roles of small scale features and processes (< 5km) and freshwater flux surpluses.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2013

Integrating Wind Profiling Radars and Radiosonde Observations with Model Point Data to Develop a Decision Support Tool to Assess Upper-Level Winds for Space Launch

On the day of launch, the 45th Weather Squadron (45 WS) Launch Weather Officers (LWOs) monitor the upper-level winds for their launch customers. During launch operations, the payload/launch team sometimes asks the LWOs if they expect the upper-level winds to change during the countdown. The LWOs used numerical weather prediction model point forecasts to provide the information, but did not have the capability to quickly retrieve or adequately display the upper-level observations and compare them directly in the same display to the model point forecasts to help them determine which model performed the best. The LWOs requested the Applied Meteorology Unit (AMU) develop a graphical user interface (GUI) that will plot upper-level wind speed and direction observations from the Cape Canaveral Air Force Station (CCAFS) Automated Meteorological Profiling System (AMPS) rawinsondes with point forecast wind profiles from the National Centers for Environmental Prediction (NCEP) North American Mesoscale (NAM), Rapid Refresh (RAP) and Global Forecast System (GFS) models to assess the performance of these models. The AMU suggested adding observations from the NASA 50 MHz wind profiler and one of the US Air Force 915 MHz wind profilers, both located near the Kennedy Space Center (KSC) Shuttle Landing Facility, to supplement the AMPS observations with more frequent upper-level profiles. Figure 1 shows a map of KSC/CCAFS with the locations of the observation sites and the model point forecasts.

Bauman, William H., III↗

DOE OSTI2023

A Gradient Based Subgrid-Scale Parameterization for Ocean Mesoscale Eddies

Mesoscale eddies play an important role in transport of heat and biogeochemical tracers in the global ocean circulation. Resolving these energetic eddies, however, is challenging in ocean general circulation models (OGCM) because it requires a horizontal grid spacing of ≲1/8° that is computationally expensive. As a result, we are required to parameterize mesoscale eddy effects on large-scale ocean flows. In this work, we introduce a new subgrid-scale (SGS) model that is developed based on a Taylor series expansion of resolved variables to parameterize subgrid mesoscale eddy transports and momentum fluxes in OGCM. We have performed an a priori study to evaluate the performance of our new gradient model using high-resolution ocean simulations. Our results show that the gradient model well predicts the actual SGS thickness fluxes in the zonal and meridional directions in coarse-resolution simulations with the grid spacing ≳1/4°. The unresolved kinetic energy at the ocean surface is also skillfully estimated. More importantly, unlike current mesoscale eddy parameterizations, which are mainly developed based on an assumption of flat bottom ocean, our new SGS model can capture the structure of unresolved standing meanders at the ocean surface. We have also developed a dynamic procedure for setting in non-dimensional parameters in our new parameterization through a non-ad hoc and tuning-free method. Overall, this work suggests that implementing the gradient model in OGCM can improve the model accuracy with an affordable computational cost in eddy-permitting and non-eddying simulations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2022

Predicting Unreinforced Fabric Mechanical Behavior with Recurrent Neural Networks

Unreinforced woven fabrics are widely employed in various high-performance applications, including parachute deployment systems, airbags, and ballistic armor. The analysis of such materials is inherently complex due to the multiscale structure of these materials, and the dependence of macroscale behavior on changes that occur at lower scales. Previously, NASA’s Multiscale Analysis Tool (NASMAT) showed its capability in predicting unreinforced fabric behavior at the macroscale by capturing finite rotations that occur at the mesoscale. Though effective, the tool can face high computational cost for large, complex problems, motivating the need for the development of a surrogate model that can capture the same behavior. A recurrent neural network (RNN) was developed and trained on virtual NASMAT data to mimic the physics-based solutions while improving the computational runtime. The architecture of the RNN to best simulate the fabric behavior was carefully crafted based on heuristic knowledge of predicting physics-based temporal data, manual hyperparameter case studies, and Hyperband optimization.. The resultant model was able to predict a variety of stress-strain curves for fabrics with different mesoscale geometries, and was further validated by comparing to experimental data for the K706 style Kevlar plain-weave fabric, demonstrating the ability of the model to effectively capture the geometric changes in the fabric without explicitly calculating them, as is done in NASMAT. Furthermore, the tool showed its ability to improve on the runtime by a factor of 10 for fabric solutions compared to the multiscale tool, which would further enable the simulation of complex loading scenarios on unreinforced fabrics.

Fabric↗

DOE OSTI2020

Shape-Selective Mesoscale Nanoarchitectures: Preparation and Photocatalytic Performance

We create ordered arrays of shape-selective gold-titania composite nanomaterials at the mesoscale (100 µm to 5 mm) by a combination of both bottom-up and top-down approaches for exquisite control of the size, shape, and arrangement of nanomaterials. Lithographic techniques along with wet chemical synthetic methods were combined to create these composite nanomaterials. The photocatalytic activity of these TiO 2, TiO 2 -Au and SiO 2 -TiO 2 -Au nano-composite mesoscale materials was monitored by the photodegradation of a model analyte, methyl orange, under UV and visible (Vis) illumination. Bare TiO 2 - and SiO 2 -TiO 2 -coated pillar arrays showed significant activity toward methyl orange in UV light with degradation rates on the order of 10 −4 –10 −3 min −1 . The photocatalytic activity of these arrays was also found to depend on the nanoparticle shape, in which particles with more edges and corners were found to be more reactive than spherical particles (i.e., the photocatalytic activity decreased as follows: diamonds > squares > triangles > spheres). SiO 2 -TiO 2 -Au nano-composite pillar arrays were tested in both UV and Vis light and showed increased activity in Vis light but decreased activity in UV light as compared to the bare semiconductor arrays. Additionally, the Au nanorod-functionalized nanoarrays exhibit a strong shape-dependence in their photocatalytic activity toward methyl orange degradation in Vis light.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Grand challenge scientific questions in coupled modeling

Most convective field experiments in the past (e.g., SESAME, CCOPE, CINDE) have attempted to resolve only the immediate scales of moist convection using network arrays that spanned two or three atmospheric scales at most. Furthermore, these scales have been defined more on practical considerations (cost, manpower, etc.) than on a clear understanding of their theoretical significance. Unfortunately, this has precluded a description of the entire life cycle of MCS's and their interaction with larger scale systems, the land surface, and trace species. Fortunately, the following factors now make it possible to attempt to simulate scale contraction processes from the synoptic scale down to the cloud scale, as well as interactions between complex meteorological, land surface, precipitation, chemical, and hydrologic processes with coupled, multiscale models: the availability of new technology to sample meteorological fields at high temporal and spatial resolution over a broad region made possible by the weather observing modernization program; increased computer power and improved numerical approaches to run limited area models with nonhydrostatic precipitation physics so as to explicitly resolve MCS (Mesoscale Convective System) processes; and four dimensional assimilation of non-conventional data to provide dynamically consistent datasets for diagnostic analysis of nonlinear scale-interactive dynamics. Several examples of scale-interactive processes which present grand challenges for coupled, multiscale modeling were presented.

Koch, Steven↗

NASA NTRS2015

High-Resolution NU-WRF Simulations of a Deep Convective-Precipitation System During MC3E: Comparisons Between Goddard Microphysics Schemes and Observations - Part 1

The Goddard microphysics scheme was recently improved by adding a 4th ice class (frozen dropshail). This new 4ICE scheme was implemented and tested in the Goddard Cumulus Ensemble model (GCE) for an intense continental squall line and a moderate,less-organized continental case. Simulated peak radar reflectivity profiles were improved both in intensity and shape for both cases as were the overall reflectivity probability distributions versus observations. In this study, the new Goddard 4ICE scheme is implemented into the regional-scale NASA Unified - Weather Research and Forecasting model (NU-WRF) and tested on an intense mesoscale convective system that occurred during the Midlatitude Continental Convective Clouds Experiment (MC3E). The NU42WRF simulated radar reflectivities, rainfall intensities, and vertical and horizontal structure using the new 4ICE scheme agree as well as or significantly better with observations than when using previous versions of the Goddard 3ICE (graupel or hail) schemes. In the 4ICE scheme, the bin microphysics-based rain evaporation correction produces more erect convective cores, while modification of the unrealistic collection of ice by dry hail produces narrow and intense cores, allowing more slow-falling snow to be transported rearward. Together with a revised snow size mapping, the 4ICE scheme produces a more horizontally stratified trailing stratiform region with a broad, more coherent light rain area. In addition, the NU-WRF 4ICE simulated radar reflectivity distributions are consistent with and generally superior to those using the GCE due to the less restrictive open lateral boundaries

Regional Scale Model↗