Mesoscale Modeling of Shock Induced Reactions in Nickel + Aluminum Multilayer Thin Films
Short paper for an international conference with archival proceedings that are due prior to the talk.
Kittell, David E. [Sandia National Laboratories (S↗
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Results for “Mesoscale”
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Development of a Time-Height Profile Assimilation Technique for Large-Eddy Simulation
Mesoscale-to-microscale coupling (MMC) aims to address the limited scope of traditional large-eddy simulations by driving the microscale flow with information concerning large-scale weather patterns provided by mesoscale models. We present a new offline MMC technique for horizontally homogeneous microscale flow conditions, in which internal forcing terms are computed based on mesoscale time–height profiles of mean-flow quantities. The advantage of such an approach is that it can be used to drive a microscale simulation with either mesoscale or observational data, and that it does not rely on specific terms in the mesoscale budget equations, which are typically not part of the default output of a mesoscale solver. The performance of the proposed profile assimilation technique is assessed based on the simulation of a typical diurnal cycle over the Scaled Wind Farm Technology site in west Texas. Results indicate that simple data assimilation techniques lead to unphysically high levels of shear and turbulence caused by the algorithm’s inability to cope with inaccuracies in the mesoscale time–height profiles. Modifying the algorithm to account for vertical coherence in the mesoscale source terms gives the microscale solver a greater ability to correct the provided mesoscale time–height profiles, leading to improved predictions of shear and turbulence statistics. The resulting turbulence statistics are in good agreement with meteorological tower observations and simulation results obtained with state-of-the-art coupling techniques using mesoscale budget components.
data assimilation↗
Using observational mean-flow data to drive large-eddy simulations of a diurnal cycle at the SWiFT site
Reproducing realistic date- and site-specific unsteady wind conditions in large-eddy simulations is becoming increasingly useful in wind energy. How to run a large-eddy simulation to match observed conditions, however, remains an open research question. One approach that has received considerable attention is mesoscale-to-microscale coupling, in which information about the mesoscale weather, most commonly acquired from a mesoscale numerical weather model, is passed on to a microscale model. In this paper, we demonstrate how the recently developed profile-assimilation technique, a form of mesoscale-to-microscale coupling, can be used to drive large-eddy simulations solely based on observed mean-flow profiles at a single location, bypassing the need for auxiliary mesoscale simulations. The new approach is evaluated for a diurnal cycle at the Scaled Wind Farm Technology site. Observed mean-flow profiles from the ground up to a height of 2 km are reconstructed by aggregating measurements from multiple instruments, and gaps in the data are infilled with natural neighbor interpolation. We perform nine simulations using various forcing approaches to deal with data limitations. The results show that it is indeed possible to drive microscale large-eddy simulation with observations using the profile-assimilation technique, notwithstanding large gaps in virtual potential temperature measurements. However, profile assimilation with vertical smoothing of the error between the desired and actual profiles is required. Without that smoothing, the microscale simulations develop unrealistically high turbulence levels under many situations. Finally, we show that simulated mesoscale data can account for missing observations, although care is needed as both data sources are not necessarily compatible.
17 WIND ENERGY↗
Numerical case study of the aerosol–cloud interactions in warm boundary layer clouds over the eastern North Atlantic with an interactive chemistry module
The presence of warm boundary layer stratiform clouds over the eastern North Atlantic (ENA) region is commonly influenced by the Azores High, especially during the summer season. To investigate comprehensive aerosol–cloud interactions, this study employs the Weather Research and Forecasting model coupled with a chemistry component (WRF-Chem), incorporating aerosol chemical components that are relevant to the formation of cloud condensation nuclei (CCN) and accounting for aerosol spatiotemporal variation. This study focuses on aerosol indirect effects, particularly the long-range transport of aerosols, in the ENA region under three different weather regimes: a ridge with a surface high-pressure system, a post-trough with a surface high-pressure system, and a weak trough. The WRF-Chem simulations conducted at a near-large-eddy scale offer valuable insights into the model's performance, especially in terms of its ability to use high spatial resolution to capture mesoscale cloud features across various weather regimes. Our result shows that introducing 5 times more aerosols to either non-precipitating or precipitating clouds significantly increases ambient CCN numbers, resulting in, to varying degrees, higher liquid water path (LWP) values. The substantial aerosol–cloud interaction especially occurs in the precipitating clouds and demonstrates the susceptibility of the LWP to changes in CCN under different regimes. Conversely, thin, non-rain clouds at the edges of a cloud system are prone to evaporation, exhibiting an aerosol drying effect. The aerosols released during this process transition back to the accumulation mode, facilitating future activation. This dynamic behavior is not adequately represented in prescribed-aerosol simulations.
54 ENVIRONMENTAL SCIENCES↗
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↗
An atomistic survey of shear coupling in asymmetric tilt grain boundaries and interpretation using the disconnections framework
Grain Boundaries (GB) play an important role in determining the behavior of polycrystalline materials. While the mechanisms of motion and associated shear response for symmetric tilt grain boundaries (STGBs) are well studied, the same is not true for asymmetric tilt grain boundaries (ATGBs) despite their greater prevalence in polycrystals. Here, this study aims to investigate the shear response of a large collection of asymmetric tilt grain boundaries (ATGBs) using molecular dynamics (MD) simulations and interpret the data using a discrete disconnections model that works remarkably well for STGBs. MD simulations of shear-driven ATGBs show that the plastic shear (shear coupling factor) in the region swept by a GB exhibits a complex dependence on the inclination angle, and this dependence changes with the misorientation of the GB. In addition, the shear response was observed to be highly sensitive to the applied shear rate and temperature. Recognizing the spatial and temporal scale limitations of MD simulations, we extended the discrete disconnections mesoscale model of Khateret al. (2012) to calculate the nucleation barriers of disconnection modes and predict the effective shear coupling of an ATGB. We observed that the mesoscale model’s predictions of the shear coupling factor of ATGBs do not agree with those observed in MD simulations. Finally, we examine the hypotheses of our mesoscale model that contribute to disagreements between MD simulations and the mesoscale model and propose improvements to the mesoscale model for future work.
36 MATERIALS SCIENCE↗
Diagnosis of convective organization and cold pools using ARM datasets and evaluation of a unified convection parameterization (UNICON)
Tropical thunderstorms often cluster together. Studies have suggested that the degree to which the tropical thunderstorms are clustered impacts Earth's energy balance and water cycle, as well as extreme precipitation events. However, the processes controlling the spatial distribution of the thunderstorms are poorly understood and are not properly represented in most computer models for weather and climate prediction. Under the goals of better understanding how convection organizes at the mesoscale and advancing the representation of mesoscale convective organization in global climate models, we i) objectively quantified the degrees of convective organization and diagnosed cold pool processes using ARM field campaign observations, ii) examined the organization processes in storm-resolving model simulations, and iii) evaluated the impacts of mesoscale convective organization in global model simulations. The project yielded a firm reference against which the global model representation of mesoscale convective organization and cold pools can be evaluated against and shed new light into the role of parameterized convective organization in the global model simulation of the basic state and variability. Our results revealed two distinct phases of convective clustering during the two-day rain episodes (Cheng et al. 2018) and a new mechanism through which vertical wind shear in the low-troposphere can aid convective organization over tropical oceans (Cheng et al. 2020). It was demonstrated that the interactive representation of cold pools and mesoscale convective organization is key for global models to successfully simulate both the mean state and intraseasonal variability in the tropics (Ahn et al. 2019; 2020).
54 ENVIRONMENTAL SCIENCES↗
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↗
Computing diffraction patterns of microstructures from phase-field simulations
The diffraction pattern of a material contains information not only on the crystal structures of its constituting phases, but also on its mesoscale spatial distributions of phases, grains, and ferroelastic, ferroelectric, and ferromagnetic domains. While diffraction patterns from experiments such as X-ray diffraction are presented in the reciprocal or Fourier space, mesoscale microstructure models such as the phase-field method naturally produce real-space images of spatial distribution of chemical composition, structural, and ferroic domains. Although one could rather readily compute the Fourier amplitudes of chemical and structural domain distributions generated by mesoscale simulations, they only contain information about the length scale and alignment of the real-space chemical and structure domains. Therefore, a direct comparison between diffraction experiments and mesoscale microstructure simulations is not possible. Here, we develop a theoretical approach to directly compute the crystal diffraction patterns of microstructures predicted by phase-field simulations. In particular, we consider five representative examples of microstructure patterns involving purely compositional domains, a single pair of tetragonal twin structures, multiple twin variants in a hexagonal system, ferroelectric polar vortices, and polycrystalline grains. The results are compared with previous experimental observations as well as X-ray diffraction experiments performed in the present study. Furthermore, the theoretical framework allows one to directly connect material microstructures and diffraction patterns predicted from phase-field simulations and the corresponding diffraction patterns from experiments, and thus providing guidance to experimental diffraction characterization and interpretation of microstructures.
36 MATERIALS SCIENCE↗
Modeling the dynamic response of rock masses with multiple compliant fluid saturated joint sets - Part II: Continuum modeling
Part I of this two-part paper describes enhancements of a mesoscale model to include: many non-persistent fluid saturated joints with finite area, normal compliance with hysteresis and the weakening effects of angular deviation in the joint sets and of fluid pressure in the joints. The objective of this Part II is to use the results of the mesoscale model as simulated data to inspire functional forms in a continuum model for rock masses with multiple compliant fluid saturated joint sets which include these enhancements. Also, an algorithm is proposed for reducing the number of joint sets being modeled. Examples are presented here which show that the continuum model can predict similar anisotropic response to that observed in mesoscale simulations. In contrast with the mesoscale model, the continuum model can be used for large scale simulations of real applications, smoothly transitioning from coupled inelastic thermomechanical response near an explosive source to orthotropic elastic response far from the source.
58 GEOSCIENCES↗
Long‐Term Observations of Turbulence Vertical Velocity Spectra in a Convective Mixed Layer: Dependence on Land‐Surface Forcing in the U.S. Southern Great Plains
Doppler lidar vertical velocity retrievals were analyzed for the scale and structure of mixed-layer turbulence over a 7-year period, on fair-weather warm season days (442 cases) in the U.S. Southern Great Plains. Based on the hypothesized influence of land-surface forcing and updraft size on convective boundary layer clouds, a spectral analysis was performed to quantify effects of surface forcing (surface buoyancy flux, friction velocity, and evaporative fraction) on turbulence scale. Significant (order-of-magnitude) variations in spectral density were found in the energy-production subrange and mesoscale regimes. Integral scale decreased with increasing buoyancy flux (and Monin-Obukhov stability parameter), while spectral density in the energy-production subrange increased, implying a transition to buoyancy-driven cellular structures with narrower updrafts. The influence of stability parameter was limited to the neutral to convective transition, and could not explain the wide variation in spectral density in the mesoscale regime. However, high friction velocity (u* > 0.5 m s –1 ) was associated with larger integral scale (updraft width), and a greater portion of spectral density in the mesoscale regime. Lidar profiles and radar reflectivity for individual cases revealed evidence of roll and wave-like structures contributing to mesoscale variability on high friction velocity days, suggesting shear instabilities on days with wetter land surface conditions and smaller buoyancy flux. The role of friction velocity emphasizes the multivariate nature of surface influences on turbulence, and implies that variance-based turbulence closures may not be adequate for capturing effects of surface forcing on updraft size.
54 ENVIRONMENTAL SCIENCES↗
Isopycnal Submesoscale Stirring Crucially Sustaining Subsurface Chlorophyll Maximum in Ocean Cyclonic Eddies
Abstract Mesoscale and submesoscale processes have crucial impacts on ocean biogeochemistry, importantly enhancing the primary production in nutrient‐deficient ocean regions. Yet, the intricate biophysical interplay still holds mysteries. Using targeted high‐resolution in situ observations in the South China Sea, we reveal that isopycnal submesoscale stirring serves as the primary driver of vertical nutrient transport to sustain the dome‐shaped subsurface chlorophyll maximum (SCM) within a long‐lived cyclonic mesoscale eddy. Density surface doming at the eddy core increased light exposure for phytoplankton production, while along‐isopycnal submesoscale stirring disrupted the mesoscale coherence and drove significant vertical exchange of tracers. These physical processes play a crucial role in maintaining the elevated phytoplankton biomass in the eddy core. Our findings shed light on the universal mechanism of how mesoscale and submesoscale coupling enhances primary production in ocean cyclonic eddies, highlighting the pivotal role of submesoscale stirring in structuring marine ecosystems.
Cao, Haijin↗
Ocean fronts and eddies force atmospheric rivers and heavy precipitation in western North America
Atmospheric rivers (ARs) are responsible for over 90% of poleward water vapor transport in the mid-latitudes and can produce extreme precipitation when making landfall. However, weather and climate models still have difficulty simulating and predicting landfalling ARs and associated extreme precipitation, highlighting the need to better understand AR dynamics. Here, using high-resolution climate models and observations, we demonstrate that mesoscale sea-surface temperature (SST) anomalies along the Kuroshio Extension can exert a remote influence on landfalling ARs and related heavy precipitation along the west coast of North America. Inclusion of mesoscale SST forcing in the simulations results in approximately a 40% increase in landfalling ARs and up to a 30% increase in heavy precipitation in mountainous regions and this remote impact occurs on two-week time scales. The asymmetrical response of the atmosphere to warm vs. cold mesoscale SSTs over the eddy-rich Kuroshio Extension region is proposed as a forcing mechanism that results in a net increase of moisture flux above the planetary boundary layer, prompting AR genesis via enhancing moisture transport into extratropical cyclones in the presence of mesoscale SST forcing.
54 ENVIRONMENTAL SCIENCES↗
Global cascade of kinetic energy in the ocean and the atmospheric imprint
Here, we present an estimate for the ocean's global scale transfer of kinetic energy (KE), across scales from 10 to 40,000 km. Oceanic KE transfer between gyre scales and mesoscales is induced by the atmosphere’s Hadley, Ferrel, and polar cells, and the intertropical convergence zone induces an intense downscale KE transfer. Upscale transfer peaks at 300 gigawatts across mesoscales of 120 km in size, roughly one-third the energy input by winds into the oceanic general circulation. Nearly three quarters of this “cascade” occurs south of 15°S and penetrates almost the entire water column. The mesoscale cascade has a self-similar seasonal cycle with characteristic lag time of ≈27 days per octave of length scales; transfer across 50 km peaks in spring, while transfer across 500 km peaks in summer. KE of those mesoscales follows the same cycle but peaks ≈40 days after the peak cascade, suggesting that energy transferred across a scale is primarily deposited at a scale four times larger.
54 ENVIRONMENTAL SCIENCES↗
Patterning of magneto-optical nanomaterials
Patterning of colloidal particles in precisely organized architectures has attracted intense research interest for decades. This is due to their potential applications in flexible electronics, magnetic and optical devices, sensors, biotechnology, communications, etc. However, creation of mesoscale assemblies at commercial scale received less attention. The mesoscale systems reside between the micro- and macroscopic scales, with length dimensions from ≈ 100 um to 5mm. One way to create mesoscale materials is to leverage decades of experimental and theoretical research in nanomaterials field that allows us to precisely create and control the placement of nanoscale materials. We developed a versatile and automatic mesoscale patterning technology that provide precise and consistent control and special arrangement of functional nanomaterials. The versatility of the strategy is demonstrated by patterning nanoparticles with different dimensions, shapes and compositions, tethered with various functionalities and subjected to different external stimuli. Nanomaterials were created via the paten t pending automated flow-throughput domain process (AFTDP), aka nano-additive manufacturing approach, recently developed by us, based on a unique small-scale fluidics concept, that enables a uniform reaction environment for production of high-quality materials in large quantities.
36 MATERIALS SCIENCE↗
Patterning of magneto-optical nanomaterials
Patterning of colloidal particles in precisely organized architectures has attracted intense research interest for decades. This is due to their potential applications in flexible electronics, magnetic and optical devices, sensors, biotechnology, communications, etc. However, creation of mesoscale assemblies at commercial scales have received less attention. The mesoscale systems reside between the micro- and macroscopic scales, with length dimensions from ≈ 100 µm to 5 mm. By leveraging decades of experimental and theoretical research in nanomaterial fields, we were able to precisely create and control the placement of nanoscale materials, allowing us to create mesoscale materials. We developed a versatile and automatic mesoscale patterning technology (via SEM-FIB and 3D printing) that provides precise and consistent control and special arrangement of functional nanomaterials. The versatility of the strategy is demonstrated by patterning nanoparticles with different dimensions, shapes and compositions, tethered with various functionalities and subjected to different external stimuli.
42 ENGINEERING↗
Where does the dust deposited over the Sierra Nevada snow come from?
Abstract. Mineral dust contributes up to one-half of surface aerosol loading in spring over the southwestern United States, posing an environmental challenge that threatens human health and the ecosystem. Using self-organizing map (SOM) analysis with dust deposition and flux data from WRF-Chem and Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), we identify four typical dust transport patterns across the Sierra Nevada, associated with the mesoscale winds, Sierra barrier jet (SBJ), North Pacific High (NPH), and long-range cross-Pacific westerlies, respectively. We find that dust emitted from the Central Valley is persistently transported eastward, while dust from the Mojave Desert and Great Basin influences the Sierra Nevada during mesoscale transport occurring mostly in winter and early spring. Asian dust reaching the mountain range comes either from the west through straight isobars (cross-Pacific transport) or from the north in the presence of the NPH. Extensive dust depositions are found on the west slope of the mountain, contributed by Central Valley emissions and cross-Pacific remote transport. In particular, the SBJ-related transport produces deposition through landfalling atmospheric rivers, whose frequency might increase in a warming climate.
Huang, Huilin (ORCID:0000000273286738)↗
Towards retrieving cloud top entrainment velocities from MISR cloud motion vectors
Although important, direct retrievals of entrainment rates in cloud-topped planetary boundary layer (PBL) remain elusive. Here we present a novel technique for retrieving cloud-top entrainment velocities using only Multi-angle Imaging Spectro-Radiometer (MISR) stereoscopic retrievals of cloud-motion vectors (CMVs) and cloud-top heights (CTHs). Mesoscale vertical air velocity at CTH is diagnosed from the continuity equation and then used to derive entrainment velocities from the PBL mass-budget equation. The algorithm is demonstrated through a case of marine stratocumulus deck off the California coast, with comparisons made against data from the European Centre for Medium-range Weather Forecasts (ECMWF) reanalysis (ERA5) and the data from other satellites. MISR low-cloud CTH for this case were lower than the ERA5 reported PBL depth by 189 ± 87 m. These differences in cloud top heights partly modulate the differences in the ERA5 and MISR horizontal winds, with larger differences in meridional over zonal wind components. Average difference between ERA5 and MISR derived mesoscale vertical air motion at cloud top was 0.14 ± 0.73 cm s −1 , while the same for entrainment rate was −0.09 ± 0.46 cm s −1 . The uncertainties in the utilized CTHs and CMVs are propagated to derive systematic and random retrieval uncertainties. Fractional uncertainty is lower than 25 % when the retrieved mesoscale vertical air motion is stronger than ±0.04 cm s −1 and entrainment velocities are stronger than ±0.03 cm s −1 . These results showcase the ability to derive mesoscale vertical air motion and entrainment rates from MISR observations and motivate its extension to generate a global climatology leveraging its full 23-year record (2000–2022). Nonetheless comprehensive validation of the retrievals is warranted through comparisons with estimates from an independent dataset across diverse weather conditions.
Mitra, Arka [Argonne National Laboratory (ANL), Ar↗