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At least 217 records · Page 12

4D-STEM Coupled with Unsupervised Machine Learning to Reveal at Large-Scale the Microstructural Evolution in Li- and Mn-Rich Cathodes

Li- and Mn-rich (LMR) layered oxides are known to exhibit a thin surface reconstruction layer, which grows during electrochemical cycling in a manner that depends on exposed crystallographic facets, cycling conditions, and electrolyte chemistry. Direct characterization of this layer has traditionally relied on high-resolution electron microscopy, which is inherently limited to small fields of view. Here, we employ four-dimensional scanning transmission electron microscopy (4D-STEM) combined with unsupervised machine-learning clustering to quantitatively map phase distributions over large areas and track their evolution in LMR cathodes during electrochemical aging. Our results show that the surface reconstruction layer consists predominantly of a rocksalt phase, whose thickness varies across different facets following activation cycling and becomes substantially thicker and more uniform during calendar aging. In contrast, a spinel-like phase is observed within the particle bulk. Large-area phase mapping and correlative high-resolution imaging reveal that this spinel-like phase preferentially nucleates at bulk crystallographic defects, including boundaries between 60°-rotated layered domains and associated mixed-phase regions, rather than exclusively at the particle surface. Our findings establish a mechanistic distinction between surface-driven rocksalt formation and bulk-defect-mediated spinel nucleation while demonstrating the unique capability of 4D-STEM to provide statistically robust, mesoscale insight into complex phase-evolution processes in LMR cathodes.

4D-STEM↗

A mesoscopic digital twin that bridges length and time scales for control of additively manufactured metal microstructures

We present our recent development of an integrated mesoscale digital twin (DT) framework for relating processing conditions, microstructures, and mechanical responses of additively manufactured (AM) metals. In particular, focusing on the laser powder bed fusion technique, we describe how individual modeling and simulation capabilities are coupled to investigate and control AM microstructural features at multiple length and time scales. We review our prior case studies that demonstrate the integrated modeling schemes, in which high-fidelity melt pool dynamics simulations provide accurate local thermal profiles and histories to subsequent AM microstructure simulations. We also report our new mechanical response modeling results for predicted AM microstructures. In addition, we illustrate how our DT framework has been validated through modeling–experiment integration, as well as how it has been practically utilized to guide and analyze AM experiments. Finally, we share our perspectives on future directions of further development of the DT framework for more efficient, accurate predictions and wider ranges of applications.

36 MATERIALS SCIENCE↗

Surface Water Mass Transformation in the Southern Ocean: The Role of Eddies Revisited

The water mass transformation (WMT) framework describes how water of one class, such as a discrete interval of density, is converted into another class via air–sea fluxes or interior mixing processes. Here, this paper investigates how this process is modified at the surface when mesoscale ocean eddies are present, using a state-of-the-art high-resolution climate model with reasonable fidelity in the Southern Ocean. The method employed is to coarse-grain the high-resolution model fields to remove eddy signatures, and compare the results with those from the full model fields. This method shows that eddies reduced the WMT by 2–4 Sv (10%–20%; 1 Sv ≡ 10 6 m 3 s −1 ) over a wide range of densities, from typical values of 20 Sv in the smoothed case. The corresponding water mass formation was reduced by 40% at one particular density increment, namely, between 1026.4 and 1026.5 kg m −3 , which corresponds to the lighter end of the range of Indian Ocean Mode Water in the model. The effect of eddies on surface WMT is decomposed into three terms: direct modulation of the density outcrops, then indirectly, by modifying the air–sea density flux, and the combined effect of the two, akin to a covariance. It is found that the first and third terms dominate, i.e., smoothing the outcrops alone has a significant effect, as does the combination of smoothing both outcrops and density flux distributions, but smoothing density flux fields alone has little effect. Results from the coarse-graining method are compared to an alternative approach of temporally averaging the data. Implications for climate model resolution are also discussed.

54 ENVIRONMENTAL SCIENCES↗

PyFLEXTRKR: a flexible feature tracking Python software for convective cloud analysis

Abstract. This paper describes the new open-source framework PyFLEXTRKR (Python FLEXible object TRacKeR), a flexible atmospheric feature tracking software package with specific capabilities to track convective clouds from a variety of observations and model simulations. This software can track any atmospheric 2D objects and handle merging and splitting explicitly. The package has a collection of multi-object identification algorithms, scalable parallelization options, and has been optimized for large datasets including global high-resolution data. We demonstrate applications of PyFLEXTRKR on tracking individual deep convective cells and mesoscale convective systems from observations and model simulations ranging from large-eddy resolving (∼100s m) to mesoscale (∼10s km) resolutions. Visualization, post-processing, and statistical analysis tools are included in the package. New Lagrangian analyses of convective clouds produced by PyFLEXTRKR applicable to a wide range of datasets and scales facilitate advanced model evaluation and development efforts as well as scientific discovery.

54 ENVIRONMENTAL SCIENCES↗

The Laser Atmospheric Wind Sounder (LAWS) Phase 2 Preliminary System Design

The laser Atmospheric Wind Sounder (LAWS) is intended to measure global wind profiles in the lower and upper troposphere as part of the Earth Observing System (EOS). Global scale wind profiles will lead to a better understanding of large scale circulation processes and climate dynamics, an understanding of mesoscale phenomena, improved numerical weather prediction, and further insights into the coupling of the atmosphere/oceans/biosphere system. Here, details are given of the Phase 2 preliminary design.

Petheram, John C.↗

An Investigation of the Influence of Urban Areas on Rainfall Using the TRMM Satellite and a Cloud-Mesoscale Model

A recent paper by Shepherd and Pierce (in press at Journal of Applied Meteorology) used rainfall data from the Precipitation Radar on NASA's Tropical Rainfall Measuring Mission's (TRMM) satellite to identify warm season rainfall anomalies downwind of major urban areas. Data (PR) were employed to identify warm season rainfall (1998-2000) patterns around Atlanta, Montgomery, Nashville, San Antonio, Waco, and Dallas. Results reveal an average increase of approx. 28% in monthly rainfall rates within 30-60 kilometers downwind of the metropolis with a modest increase of 5.6% over the metropolis. Portions of the downwind area exhibit increases as high as 51%. The percentage changes are relative to an upwind control area. It was also found that maximum rainfall rates in the downwind impact area exceeded the mean value in the upwind control area by 48%-116%. The maximum value was generally found at an average distance of 39 km from the edge of the urban center or 64 km from the center of the city. Results are consistent with METROMEX studies of St. Louis almost two decades ago and with more recent studies near Atlanta. A convective-mesoscale model with extensive land-surface processes is currently being employed to (a) determine if an urban heat island (UHI) thermal perturbation can induce a dynamic response to affect rainfall processes and (b) quantify the impact of the following three factors on the evolution of rainfall: (1) urban surface roughness, (2) magnitude of the UHI temperature anomaly, and (3) physical size of the UHI temperature anomaly. The sensitivity experiments are achieved by inserting a slab of land with urban properties (e.g. roughness length, albedo, thermal character) within a rural surface environment and varying the appropriate lower boundary condition parameters. The study will discuss the feasibility of utilizing satellite-based rainfall estimates for examining rainfall modification by urban areas on global scales and over longer time periods. The talk also introduces very preliminary results from the modeling component of the study. Such research has implications for weather forecasting, urban planning, water resource management, and understanding human impact on the environment and climate.

Shepherd, J. Marshall↗

Predictability of the California Current System

The physical and biological oceanography of the Southern California Bight (SCB), a highly productive subregion of the California Current System (CCS) that extends from Point Conception, California, south to Ensenada, Mexico, continues to be extensively studied. For example, the California Cooperative Oceanic Fisheries Investigations (CalCOFI) program has sampled this region for over 50 years, providing an unparalleled time series of physical and biological data. However, our understanding of what physical processes control the large-scale and mesoscale variations in these properties is incomplete. In particular, the non-synoptic and relatively coarse spatial sampling (70km) of the hydrographic grid does not completely resolve the mesoscale eddy field (Figure 1a). Moreover, these unresolved physical variations exert a dominant influence on the evolution of the ecosystem. In recent years, additional datasets that partially sample the SCB have become available. Acoustic Doppler Current Profiler (ADCP) measurements, which now sample upper-ocean velocity between stations, and sea level observations along TOPEX tracks give a more complete picture of the mesoscale variability. However, both TOPEX and ADCP are well-sampled only along the cruise or orbit tracks and coarsely sampled in time and between tracks. Surface Lagrangian drifters also sample the region, although irregularly in time and space. SeaWiFS provides estimates of upper-ocean chlorophyll-a (chl-alpha), usually giving nearly complete coverage for week-long intervals, depending on cloud coverage. Historical ocean color data from the Coastal Zone Color Scanner (CZCS) has been used extensively to determine phytoplankton patterns and variability, characterize the primary production across the SCB coastal fronts, and describe the seasonal and interannual variability in pigment concentrations. As in CalCOFI, these studies described much of the observed structures and their variability over relatively large space and time scales.

Miller, Arthur J.↗

Factors Affecting the Evolution of Hurricane Erin and the Distributions of Hydrometeors: Role of Microphysical Processes

Fine-resolution simulations of Hurricane Erin 2001 are conducted using the Penn State University/National Center for Atmospheric Research mesoscale model version 3.5 to investigate the role of thermodynamic, boundary layer and microphysical processes in Erin's growth and maintenance, and their effects on the horizontal and vertical distributions of hydrometeors. Through comparison against radar, radiometer, and dropsonde data collected during the Convection and Moisture Experiment 4, it is seen that realistic simulations of Erin are obtained provided that fine resolution simulations with detailed representations of physical processes are conducted. The principle findings of the study are as follows: 1) a new iterative condensation scheme, which limits the unphysical increase of equivalent potential temperature associated with most condensation schemes, increases the horizontal size of the hurricane, decreases its maximum rainfall rate, reduces its intensity, and makes its eye more moist; 2) in general, microphysical parameterization schemes with more categories of hydrometeors produce more intense hurricanes, larger hydrometeor mixing ratios, and more intense updrafts and downdrafts; 3) the choice of coefficients describing hydrometeor fall velocities has as big of an impact on the hurricane simulations as does choice of microphysical parameterization scheme with no clear relationship between fall velocity and hurricane intensity; and 4) in order for a tropical cyclone to adequately intensify, an advanced boundary layer scheme (e.g., Burk-Thompson scheme) must be used to represent boundary layer processes. The impacts of varying simulations on the horizontal and vertical distributions of different categories of hydrometeor species, on equivalent potential temperature, and on storm updrafts and downdrafts are examined to determine how the release of latent heat feedbacks upon the structure of Erin. In general, all simulations tend to overpredict precipitation rate and hydrometeor mixing ratios. The ramifications of these findings for quantitative precipitation forecasts (QPFs) of tropical cyclones are discussed.

McFarquhar, Greg M.↗

Uncertainty Propagation in Pre-Flight Prediction of Unmanned Aerial Vehicle Separation Violation

Current forecasts on the future of aeronautics suggest an in- creasing number of unmanned aerial vehicles entering the low- altitude airspace in the next decades (FAA, 2018; Kopardekar et al., 2016). Small vehicles for package delivery as well as larger vehicles for urban air mobility will change the airspace drastically, increasing density of operations both in time, i.e. high number of take-off and landings per unit time, and in space, operating in dense urban environment. This scenario poses challenges to the current approach to air traffic control, and large efforts from academia, industry and regulatory bodies are dedicated to the development of new traffic management strategies that leverage higher computing and simulating capabilities available today. In this paper, we propose a simple look-ahead approach to predict potential minimum separation violations at the strategic level, that is before vehicles start flying, depending on the predefined 4D trajectories and uncertainty affecting the wind acting along those routes. The wind field is extracted from the NOAA North America Mesoscale Forecast System and interpolated using Gaussian process regression, while uncertainty affecting the expected cruise airspeed is propagated through error intervals. The approach allows the prediction of aircraft separation as a function of time, highlighting potential safety violations that would go undetected if uncertainty affecting the expected 4D trajectories is not considered. The paper will also discuss issues related to accuracy and scalability of the approach to multiple vehicle operations.

Trajectory Prediction↗

Hot Structure Concepts and Materials for Space Exploration Project

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

thermal↗

Satellite Altimeter Observations of Black Sea Level Variations

Satellite altimeter data from TOPEX/POSEIDON and ERS-1 are used to examine seasonal and mesoscale variability of the Black Sea level. Consistent processing procedures of the altimeter measurements make it possible to determine the dynamical Black Sea level with an rms accuracy about 3 cm. It is shown that the Black Sea circulation intensifies in the winter-spring seasons and attenuates in summer-autumn. The seasonal variability of sea level is accompanied by a radiation of Rossby waves from the eastern coast of the basin. Mesoscale oscillations of the dynamical sea level are found to vary spatially and temporarily. Usually, strong eddy intensity is associated with instabilities of the Rim Current. Away from this circulation feature, in the deep basin, mesoscale variability is much smaller. Mesoscale variability has a strong seasonal signal, which is out of phase with the strength of the Rim Current.

Korotaev, G. K.↗

Contribution of Sub-Mesoscales to the Vertical Velocity: The Omega-Equation

The oceans ability to regulate carbon dioxide depends on biogeochemical processes that are influenced strongly by eddies. Eddy-resolving simulations have shown that sub-mesoscales (SM) (110 km) generate the highest magnitude vertical velocity and that mesoscales (M) also enhance their contribution to the vertical velocity but to a lesser extent. In this study, we consider the question: can analogous results be obtained using the less numerically demanding -equation? Previously, this question has not been answered because of two reasons: 1) the canonical Hoskins form of the - equation does not include the buoyancy vertical fluxes caused by M and SM; and 2) Giordani et al. (2016) showed how to include an arbitrary vertical buoyancy flux, but no parameterizations were available for the M and SM vertical fluxes. How- ever, the latter are now available together with their assessments, so we consider SM because they make the largest contribution to the vertical velocity. The resulting vertical velocity depends on the extent of the SM regime, the horizontal buoyancy gradient (representing baroclinic instabilities), and the SM eddy kinetic energy. The vertical velocity depends in a linear manner on the wind stress and it may exhibit seasonal variations. The wind stress has two effects on the -equation: indirectly via its contribution to the sub-mesoscale buoyancy flux and directly through the wind stress itself. The results of our sensitivity analysis highlight the range of SM-induced vertical velocities obtained using different input data.

oceans↗

Genesis of Hurricane Sandy (2012) Simulated with a Global Mesoscale Model

In this study, we investigate the formation predictability of Hurricane Sandy (2012) with a global mesoscale model. We first present five track and intensity forecasts of Sandy initialized at 00Z 22-26 October 2012, realistically producing its movement with a northwestward turn prior to its landfall. We then show that three experiments initialized at 00Z 16-18 October captured the genesis of Sandy with a lead time of up to 6 days and simulated reasonable evolution of Sandy's track and intensity in the next 2 day period of 18Z 21-23 October. Results suggest that the extended lead time of formation prediction is achieved by realistic simulations of multiscale processes, including (1) the interaction between an easterly wave and a low-level westerly wind belt (WWB) and (2) the appearance of the upper-level trough at 200 hPa to Sandy's northwest. The low-level WWB and upper-level trough are likely associated with a Madden-Julian Oscillation.

multiscale processes↗

Multi-fidelity thermal modeling of laser powder bed additive manufacturing

Laser powder bed fusion (LPBF) Additive manufacturing (AM) has attracted interest as an agile method of building production metal parts to reduce design-build-test cycle times for systems. However, predicting part performance is difficult due to inherent process variabilities. This makes qualification challenging. Computational process models have attempted to address some of these challenges, including mesoscale, full physics models and reduced fidelity conduction models. The goal of this work is credible multi-fidelity modeling of the LPBF process by investigating methods for estimating the error between models of two different fidelities. Two methods of error estimation are investigated, adjoint-based error estimation and Bayesian calibration. Adjoint-based error estimation is found to effectively bounding the error between the two models, but with very conservative bounds, making predictions highly uncertain. Bayesian parameter calibration applied to conduction model heat source parameters is found to effectively bound the observed error between the models for melt pool morphology quantities of interest. However, the calibrations do not effectively bound the error in heat distribution.

36 MATERIALS SCIENCE↗

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↗

The Application of a Genetic Algorithm to the Optimization of a Mesoscale Model for Emergency Response

Besides solving the equations of momentum, heat, and moisture transport on the model grid, mesoscale weather models must account for subgrid-scale processes that affect the resolved model variables. These are simulated with model parameterizations, which often rely on values preset by the user. Such “free” model parameters, along with others set to initialize the model, are often poorly constrained, requiring that a user select each from a range of plausible values. Finding the values to optimize any forecasting tool can be accomplished with a search algorithm, and one such process—the genetic algorithm (GA)—has become especially popular. As applied to modeling, GAs represent a Darwinian process: an ensemble of simulations is run with a different set of parameter values for each member, and the members subsequently judged to be most accurate are selected as “parents” who pass their parameters onto a new generation. At the U.S. Department of Energy’s Savannah River Site in South Carolina, we are applying a GA to the Regional Atmospheric Modeling System (RAMS) mesoscale weather model, which supplies input to a model to simulate the dispersion of an airborne contaminant as part of the site’s emergency response preparations. An ensemble of forecasts is run each day, weather data are used to “score” the individual members of the ensemble, and the parameters from the best members are used for the next day’s forecasts. As meteorological conditions change, the parameters change as well, maintaining a model configuration that is best adapted to atmospheric conditions. Significance Statement We wanted to develop a forecasting system by which a weather model is run over the Savannah River Site each day and repeatedly adjusted according to how well it performed the previous day. To run the model, a series of values (parameters) must be set to control how the model will calculate winds, temperatures, and other desired variables. Each day the model was run several times using different combinations of these parameters and later compared with observed meteorological conditions. Parameters that produced the most accurate forecasts were preferentially reused to create the forecasts for the next day. The process was tested for the summer of 2020 and exhibited lower errors than forecasts produced by the model using default values of the parameters.

54 ENVIRONMENTAL SCIENCES↗

Numerical Model Studies of the Martian Mesoscale Circulations

The study objectives were to evaluate by numerical modeling various possible mesoscale circulation on Mars and related atmospheric boundary layer processes. The study was in collaboration with J. Tillman of the University of Washington (who supported the study observationally). Interaction has been made with J. Prusa of Iowa State University in numerical modeling investigation of dynamical effects of topographically-influenced flow. Modeling simulations included evaluations of surface physical characteristics on: (i) the Martian atmospheric boundary layer and (ii) their impact on thermally and dynamically forced mesoscale flows. Special model evaluations were made in support of selection of the Pathfinder landing sites. J. Tillman's finding of VL-2 inter-annual temperature difference was followed by model simulations attempting to point out the forcing for this feature. Publication of the results in the reviewed literature in pending upon completion of the manuscripts in preparation as indicated later.

Segal, Moti↗

Assessing the Atmospheric Response to Subgrid Surface Heterogeneity in the Single-Column Community Earth System Model, Version 2 (CESM2)

Land-atmosphere interactions are central to the evolution of the atmospheric boundary layer and the subsequent formation of clouds and precipitation. Existing global climate models represent these connections with bulk approximations on coarse spatial scales, but observations suggest that small-scale variations in surface characteristics and co-located turbulent and momentum fluxes can significantly impact the atmosphere. Recent model development efforts have attempted to capture this phenomenon by coupling existing representations of subgrid-scale (SGS) heterogeneity between land and atmosphere models. Such approaches are in their infancy and it is not yet clear if they can produce a realistic atmospheric response to surface heterogeneity. Here, we implement a parameterization to capture the effects of SGS heterogeneity in the Community Earth System Model (CESM2), and compare single-column simulations against high-resolution Weather Research and Forecasting (WRF) large-eddy simulations (LESs), which we use as a proxy for observations. The CESM2 experiments increase the temperature and humidity variances in the lowest atmospheric levels, but the response is weaker than in WRF-LES. In part, this is attributed to an underestimate of surface heterogeneity in the land model due to a lack of SGS meteorology, a separation between deep and shallow convection schemes in the atmosphere, and a lack of explicitly represented mesoscale secondary circulations. These results highlight the complex processes involved in capturing the effects of SGS heterogeneity and suggest the need for parameterizations that communicate their influence not only at the surface but also vertically.

54 ENVIRONMENTAL SCIENCES↗