Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “mesoscale science”

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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Observed and Projected Changes of Large‐Scale Environments Conducive to Spring MCS Initiation Over the US Great Plains

Abstract Mesoscale convective systems (MCSs) are frequent over the US Great Plains during spring. The link between large‐scale environments and spring MCS initiation were well established. Here, historical and future changes of spring large‐scale environments favorable for MCS initiation are investigated using an MCS tracking data set, ERA5 reanalysis, and 20 Coupled Model Intercomparison Project Phase 6 (CMIP6) models. The frequency of Great Plains low‐level jet (GPLLJ)‐related MCS environments is found to have increased by ∼41% from 1979 to 2019, consistent with the enhanced GPLLJ and more frequent MCSs. Comparing CMIP6 AMIP and historical experiments, we find that the observed GPLLJ strengthening and more frequent MCS environments are mainly due to the decadal sea‐surface temperature variations rather than external forcings. Under a high emission scenario, the frequency of GPLLJ‐related environments favorable for MCS initiation will increase by ∼65% during 2015–2100, along with a stronger GPLLJ, suggesting more frequent MCSs over the US Great Plains in a warming world.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Impacts of Mesoscale Cloud Organization on Aerosol-Induced Cloud Water Adjustment and Cloud Brightness

The role of mesoscale cellular convection (MCC) in regulating aerosol-induced cloud brightness remains unaddressed. Using 7 years of satellite-based observations of cloud water adjustment to aerosol-induced perturbations for closed MCCs across different sizes (8, 16, 32, and 64 km) over the North Atlantic Ocean, we show that MCC cell-size plays a nontrivial role in regulating aerosol-induced cloud brightness via cloud water adjustment. In cells that are primarily non-precipitating, the adjustment in small-scale MCCs can be 10 times more negative than in large-scale MCCs, consistent with stronger evaporation via cloud top entrainment. Consequently, the response of cloud brightness is significantly stronger for large-scale MCCs. We also find notable intra-cell co-variability between cloud liquid water path (LWP) and drop concentration (N d ) within MCCs that varies with cell size. Erroneously considering such co-variability as a LWP response to N d can lead to a significant positive bias, especially for small scale MCCs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Mesoscale Modeling for Restructuring and Fragmentation in High Burnup UO 2

This report summarizes the mesoscale modeling conducted in fiscal year 2025 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, focusing on the microstructural evolution and restructuring in high burnup UO 2 nuclear fuel and its impact on fuel fragmentation. We developed a pioneering phase-field model to simulate restructuring behavior across different regions of high burnup fuel, including the dark zone and rim region. A grand-potential-based phase-field model is employed to concurrently evaluate subgrain formation and the growth of fission gas bubbles within the fuel. An energy-based subgrain formation criterion was introduced to simulate the restructuring process. The effects of temperature and burnup rate were studied to capture how each of these parameters influences the characteristics of the restructured fuel. Subgrain formation was observed to initiate around existing fission gas bubbles and proceed toward triple junctions, grain boundaries, and grain interiors. Under a given subgrain formation rate, the rate of restructuring increases with rising fuel temperature. The restructuring occurs faster with higher burnup rate. A restructuring bias was observed within the microstructure, due to the variation in defect accumulation when comparing different grains. Microstructures corresponding to the dark zone and rim region can be obtained by parameterizing the model with the appropriate defect production rate, as determined based on the burnup rate and temperature. The predicted microstructures are consistent with experimental observations of the restructured regions. Based on the mesoscale simulations, a mechanistic model for restructuring and grain size evolution was implemented in BISON. Thus, this work provides a first-of-its-kind restructuring model for different regions of high-burnup fuel to BISON. It was shown that the model predicts appropriate grain size evolution along fuel radius as those observed in experiments. This model enables BISON to predict the effect of restructuring on the fission gas release. Finally, the phase-field fracture simulation with dark zone specific microstructures were presented to provide the fragmentation criteria for the dark zone. This work introduces a first-of-its-kind restructuring model for high burnup fuel, significantly enhancing BISON's predictive capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Micro-beam bending of FCC bicrystals: A comparison between defect dynamics simulations and experiments

To understand the role of the grain boundary (GB) in plasticity at small scale, a concurrently coupled mesoscale plasticity model was developed to simulate micro-bending of bicrystalline micron-sized beams. By coupling dislocation dynamics (DD) with a finite element model (FEM), a novel defect dynamics model provides the means to investigate intricate interactions between dislocations and GBs under various loading conditions. Our simulations of micro-bending agree well with corresponding micro-bending experiments, and they show that mechanical response of bicrystals could have not only hardening but also softening depending on the characters of the GB. In addition, changing the location of the GB in the microbeams results in different mechanical responses; GBs located at the neutral plane show softening compared to single crystals, while inclined GBs located halfway along the length of the beam show little effect. In conclusion, simulation results could provide a clear picture on detailed dislocation-GB interactions, and quantitative resolved shear stress analysis supplemented by dislocation density distribution is used to analyze the mechanical response of bicrystalline samples.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cloud Morphology Evolution in Arctic Cold‐Air Outbreak: Two Cases During COMBLE Period

Abstract Cloud feedbacks play an important role in Arctic warming. Cloud morphology, for example, cloud size and spatial distributions, is among key factors that directly impact their radiative effects. In this work, we use two cases observed during the Cold‐air Outbreak (CAO) in the Marine Boundary Layer Experiment (COMBLE) to study the evolution of cloud size distributions as an air mass is advected from the Arctic over a comparatively warm ocean and cloud mesoscale organization changes from rolls to cells. Cloud objects are identified from Moderate Resolution Imaging Spectroradiometer (MODIS) reflectance images through an object segmentation procedure and roll breakup is identified by homogeneities in cloud water path (CWP). Roll breakup is found to be accompanied by a local minimum in wind shear and local maxima in cloud size and marine cold air outbreak index. The mean cloud horizontal aspect ratio has weak fetch dependency and is around 2 in roll, transition, and cell regimes. Regardless of distance from the ice edge, smaller clouds (<10 km 2 ) dominate the population number but not cloud cover. Cloud size distributions show bimodality in transition and cell regimes. For clouds with comparable sizes, mean nearest neighbor distances normalized by equivalent cloud radius converge to a single value for all regimes and for all but the smallest clouds, suggesting that clouds of comparable sizes in CAOs are separated by distance proportional to their sizes. The presented statistical results pave the way to evaluating model simulated cloud organizations during CAO events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Improving High Resolution Offshore Wind Resource Assessments and Forecasts using Observations in the MA/RI Lease Areas

The third Wind Forecast Improvement Project (WFIP3) sought to improve understanding of the physical phenomena in the atmosphere and ocean that dictate the structure and variability of wind and thermodynamic fields within the Marine Atmospheric Boundary Layer (MABL). WFIP3 conducted a comprehensive 18-month observational study over the Northeast U.S. outer continental shelf, a high use coastal zone, using a 3-D multiscale sensor array to highly resolve the temporal, vertical, and horizontal structure of the coupled atmospheric and oceanic boundary layers. Multiple land-based study sites adjacent to the coastal ocean observed surface meteorology and vertical profiles of atmospheric properties via passive infrared and microwave radiometers, active lidars and radars, and radiosondes. At sea, an array of surface flux buoys and two vertical profiling lidar buoys observed both atmospheric and oceanic properties, augmented by land-based oceanographic radar systems and routine ship-based surveys. Intensive observations of the MABL over the ocean was done from an air-sea interaction flux tower and extended deployments of a large barge platform. WFIP3 focused on mesoscale and sub-mesoscale flows -- including sea breezes, low-level jets, low-level clouds, and coastal storms -- and the ability of advanced numerical model parameterizations to represent them within fully coupled oceanic and atmospheric modeling systems and foundational weather forecast models. Numerous critical forecasting phenomena were observed, however the project was terminated prior to the completion of the field observational period and the analysis period.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy

The popularity of crystal plasticity finite element method (CPFEM) models is increasing due to their ability to predict the mechanical response of crystalline materials such as metals and metal alloys more accurately than traditional continuum mechanics models. This is since the crystal plasticity models consider the effect of atomic structure, microstructural morphology, and properties of individual grains. These CPFEM models use a large number of material parameters in order to capture the mesoscale physics which comes with the downside of the tedious calibration process. In this paper, a CPFEM code was developed to include the twinning induced grain reorientation and subsequent crystallographic slip for HPC material. The developed code is incorporated in a large-scale, parallelized nonlinear solver WARP3D. Further, a sensitivity analysis with respect to 22 material parameters was then conducted using single crystal and polycrystal representative volume element (RVE) of Zircaloy material. Loading was applied along five different crystallographic orientations for single crystal RVE and along three directions namely, rolling (RD), transverse (TD), and normal (ND) direction for polycrystal RVE. Results obtained from the sensitivity analysis were used for the calibration of material parameters for Zircaloy. Finally, developed code along with calibrated material parameters was used to investigate the effect of the hydride phase formation in Zircaloy which is a typical case observed for nuclear applications. It was found that the volume fraction of the hydride phase has a significant impact on the mechanical properties of Zircaloy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multiscale fatigue crack initiation in hierarchical additively manufactured alloys

Bioinspired hierarchical microstructures offer a route toward engineered fatigue resistance in additively manufactured alloys. However, it remains unclear how discrete structural constituents independently govern damage accumulation, particularly during the critical fatigue initiation regime where short cracks strongly interact with local microstructure. Here, we investigate multiscale fatigue initiation in a dual-phase, nanolamellar AlCoCrFeNi 2.1 high-entropy alloy. By comparing microscale specimens that isolate the nanolamellar structure against macroscale specimens containing the full melt-pool architecture, we identify size-dependent fatigue initiation mechanisms. We find that failure is dictated by nanolamellar interfaces at the microscale, whereas mesoscale melt pool boundaries serve to initiate fatigue at the macroscale. This mechanistic shift is accompanied by a transition from macroscale quasi-brittle failure to microscale plasticity-driven crack extension. Our results provide a physical framework for understanding how structural hierarchy governs the transition from discrete microstructural deformation to continuum fatigue fracture behavior, informing the design of damage-tolerant, additively manufactured alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Interactions Between Clouds and Wind-Driven Surface Heat Exchanges over Land

Earth system model experiments show that increasing horizontal resolution fundamentally alters the simulated soil-moisture-precipitation feedback. Kilometer-scale simulations often produce weaker or even negative feedback compared to coarse-resolution models. A key difference of kilometer-scale models is that they resolve mesoscale secondary circulations, including boundary layer horizontal rolls and cellular structures, in addition to cold pools and downdrafts associated with convective precipitation. However, because the relevant processes occur on yet-smaller scales, these circulations are often poorly resolved. This project demonstrated that boundary layer secondary circulations significantly affect surface heat exchanges and wind gusts, and that current model parameterizations can misrepresent these processes at kilometer-scale resolution. Using DOE Atmospheric Radiation Measurement (ARM) observations and targeted experiments with the DOE Energy Exascale Earth System Model (E3SM), we identified physically unrealistic wind gust and surface flux responses to secondary circulations, diagnosed a systematic overestimation of wind shear in convective cold pools, and uncovered a multivariate relationship between land surface fluxes and the scales of updrafts that form shallow cumulus clouds. These findings provide observation-based recommendations for improving parameterizations of surface fluxes and wind gusts in high-resolution Earth system models, thereby reducing uncertainty in convective storm prediction and land-atmosphere feedbacks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Capture efficiency and bias from the defect dynamics near grain boundaries in BCC Fe using mesoscale simulations

The capture efficiency describes the capability of a sink, such as a grain boundary (GB), dislocation, and void, to absorb point defects (PDs). The bias defines the difference in capture efficiency between the absorption of a vacancy and dumbbell at a sink. Complete kinetic information on PDs, including diffusion barriers and diffusion orientations, as well as accurate saddle points, are needed to determine the capture efficiency and bias at a sink accurately, which is computationally demanding. Here, in the present study, the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) method was used to investigate the defect dynamics of PDs near different types of grain boundaries (GBs) (with both $\langle$100$\rangle$ and $\langle$110$\rangle$ families) accurately in body-centered cubic (BCC) iron (Fe). The capture efficiency, sink strength, and bias factor of different types of GBs were determined in Fe, which, different from traditional rate theory estimation, showed a distinct capture efficiency, sink strength, and bias in different GBs. The results demonstrate a strong positive correlation between the capture efficiency and the GB strain width, instead of the GB misorientation, GB energy, or GB-PD binding energy, which have been investigated previously. This work provides valuable insight into the radiation-induced microstructural evolution of GBs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mesoscale Modeling of Hydrogels Under Frictional Shear Stress

Hydrogels are three-dimensional networks of hydrophilic polymers often used as a simplified model of hydrated biological materials, from cartilaginous joints to the ocular tear film. However, the lubrication mechanisms of hydrogels remain poorly understood, partly due to their complex polymeric structure, which creates blurred interfaces during sliding that are challenging to study experimentally. In this study, we employ dissipative particle dynamics (DPD) to investigate the frictional behavior of a polymeric hydrogel network sliding against a solid wall in an explicit viscous solvent. This computational approach enables us to model hydrodynamic interactions and mesoscale polymer dynamics, capturing key aspects of hydrogel friction. Our simulations reveal that hydrogel friction is governed by the interplay between polymer relaxation and viscous shear, characterized by the Weissenberg number (Wi). At low Wi, friction coefficient remain nearly constant, dominated by polymer relaxation. However, at higher Wi, friction is dominated by viscous drag within a near-wall solvent layer, leading to a linear increase in friction coefficient with Wi. Furthermore, our results demonstrate an inverse relationship between the friction coefficient and the applied normal load, consistent with experimental observations. This work provides new insights into the fundamental tribological properties of hydrogels, shedding light on the micromechanics of hydrogel friction. Improving our understanding of hydrogel structure and dynamics under friction advances our knowledge of the mechanisms regulating biological lubrication in health and disease.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Convective Updraft and Downdraft Characteristics of Continental Mesoscale Convective Systems in the Model Gray Zone

Here, the "gray zone" of convective modeling is defined as the range of horizontal grid spacings (Δx) at which turbulent transport processes are only partially resolved by the dynamics of the numerical model. This zone typically covers Δx from a few kilometers to several hundred meters, wherein the realistic representation of convective cloud processes can be challenging. This study characterizes the convective draft behaviors at multiple Δx across the gray zone and determines the appropriate Δx that can reliably capture these salient convective properties. We perform an ensemble of idealized simulations of mesoscale convective systems (MCS) using the Weather Research and Forecasting model at various Δx from 4 km to 250 m over the central U.S. An evaluation of key MCS kinematic properties is constrained using unique, long-term vertical velocity estimates obtained by radar wind profilers deployed by the Department of Energy Atmospheric Radiation Measurement user facility. MCS simulations for all Δx tested overestimate (underestimate) the probabilities of convective updrafts (downdrafts) compared to the observations. In terms of the convective draft intensity, finer-Δx models overestimate the updraft intensity, while the opposite is found for downdrafts. Moving from Δx = 4 km to 250 m, downdrafts become stronger and more frequent especially at middle and upper levels, attributed to additional drag from an increasing graupel frequency and compensation of enhanced updraft velocity. Simulated draft characteristics, including core size, intensity, and probability of occurrence, exhibit pronounced changes at Δx greater than 500 m, but suggest less sensitivity when Δx is reduced below 500 m.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Emergence of distinct electronic states in epitaxially-fused PbSe quantum dot superlattices

Abstract Quantum coupling in arrayed nanostructures can produce novel mesoscale properties such as electronic minibands to improve the performance of optoelectronic devices, including ultra-efficient solar cells and infrared photodetectors. Colloidal PbSe quantum dots (QDs) that self-assemble into epitaxially-fused superlattices (epi-SLs) are predicted to exhibit such collective phenomena. Here, we show the emergence of distinct local electronic states induced by crystalline necks that connect individual PbSe QDs and modulate the bandgap energy across the epi-SL. Multi-probe scanning tunneling spectroscopy shows bandgap modulation from 0.7 eV in the QDs to 1.1 eV at their necks. Complementary monochromated electron energy-loss spectroscopy demonstrates bandgap modulation in spectral mapping, confirming the presence of these distinct energy states from necking. The results show the modification of the electronic structure of a precision-made nanoscale superlattice, which may be leveraged in new optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Visualizing subcellular rearrangements in intact β cells using soft x-ray tomography

Characterizing relationships between cell structures and functions requires mesoscale mapping of intact cells showing subcellular rearrangements following stimulation; however, current approaches are limited in this regard. Here, we report a unique application of soft x-ray tomography to generate three-dimensional reconstructions of whole pancreatic β cells at different time points following glucose-stimulated insulin secretion. Reconstructions following stimulation showed distinct insulin vesicle distribution patterns reflective of altered vesicle pool sizes as they travel through the secretory pathway. Our results show that glucose stimulation caused rapid changes in biochemical composition and/or density of insulin packing, increased mitochondrial volume, and closer proximity of insulin vesicles to mitochondria. Costimulation with exendin-4 (a glucagon-like peptide-1 receptor agonist) prolonged these effects and increased insulin packaging efficiency and vesicle maturation. This study provides unique perspectives on the coordinated structural reorganization and interactions of organelles that dictate cell responses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Mesoscale modeling and semi-analytical approach for the microstructure-aware effective thermal conductivity of porous polygranular materials

Here we established a comprehensive modeling approach for investigating the microstructure-aware effective thermal conductivity ($κ_{eff}$) for porous microstructures containing solid particles and gaseous pores. Our approach combines the mesoscale computational modeling framework and the semi-analytical method, allowing for efficient prediction of $κ_{eff}$ for realistic porous microstructures, while considering complicated microstructural thermal conduction pathways effectively in the prediction. We used the diffuse-interface mesoscale computational model to generate extensive simulated $κ_{eff}$ data for realistic digital representations of microstructures with wide ranges of porosity ($f_p$), thermal conductivity of the gas phase ($κ_g$), and thermal conductivity of the solid phase ($κ_s$). From the simulated data, we identified two property variation regimes for $κ_{eff}$: (1) a slow $κ_{eff}$ increase for $κ_s ~ κ_g$; and (2) a faster $κ_{eff}$ increase for $κ_s \gg κ_g$. To capture the key features of the relationship between the microstructure and $κ_{eff}$, we derived a semi-analytical model by introducing structure and intensification factors. The two new factors incorporate the calibrated effective contribution of the solid volume with $κ_s$ and additional interfacial effects into the prediction of $κ_{eff}$, respectively, allowing for consideration of parallel, serial, and interfacial conduction mechanisms effectively. Using the selected simulation data, we quantified key model parameters within the semi-analytical model and verified that the parameterized model exhibits excellent agreement with simulated $κ_{eff}$ for the entire range of the parameter space.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ice Supersaturation Variability in Cirrus Clouds: Role of Vertical Wind Speeds and Deposition Coefficients

Abstract Aircraft measurements reveal ice supersaturation statistics in cirrus (ISSs) with broad maxima around ice saturation and pronounced variance. In this study, processes shaping ISSs in midlatitude and tropical upper tropospheric conditions are systematically investigated. Water vapor deposition and sublimation of size‐resolved ice crystal populations are simulated in an air parcel framework. Mesoscale temperature fluctuations (MTFs) due to gravity waves force the temporal evolution of supersaturation. Various levels of background wave forcing and cirrus thickness are distinguished in stochastic ensemble simulations. Kinetic limitations to ice mass growth are brought about by supersaturation‐dependent deposition coefficients that represent efficient and inefficient growth modes as a function of ice crystal size. The simulations identify a wide range of deposition coefficients in cirrus, but most values stay above 0.01 such that kinetic limitations to water uptake remain moderate. Supersaturation quenching times are long, typically 0.5–2 hr. The wave forcing thus causes a remarkably large variability in ISSs and cirrus microphysical properties except in the thickest cirrus, producing ensemble‐mean ISSs in line with in‐situ measurements. ISS variance is controlled by MTFs and increases with decreasing cirrus integral radii. In comparison, the impact of ice crystal growth rates on ISSs is small. These results contribute to efforts directed at identifying and solving issues associated with ice‐supersaturated areas and non‐equilibrium cirrus physics in global models.

Meteorology & Atmospheric Sciences↗
DOE OSTI2023

Improving the representation of isopycnal mixing in E3SM (Final Report)

The DOE-supported Energy Exascale Earth System Model (E3SM) is a major attempt by the Department of Energy to develop a new Earth System Model using unstructured grids, which allow for the model to concentrate resolution where it is most needed and avoid numerical artifacts experienced by previous Earth System Models (ESMs) using regular grids in which the lateral resolution becomes extremely fine as the resolution shrinks at the poles. This effort required rewriting many of the algorithms previously developed for regular grids. One algorithm that was problematic in the first version of E3SM was the representation of mixing due to turbulent ocean eddies with scales smaller than the model grid. These mesoscale eddies are the primary way by which tracers are stirred along density surfaces in the ocean interior. In particular, the process of isopycnal mixing exchanges fresher, more oxygenated waters from polar regions with saltier, nutrient-rich and oxygen poor waters from tropical regions. Previous work in our group has shown that this mechanism is vitally important for bringing oxygen into poorly ventilated tropical regions (Gnanadesikan et al., 2012, 2013) and plays a significant role in determining the uptake of anthropogenic carbon dioxide (Gnanadesikan et al., 2015). However, in E3SMv1 this process was turned off, as turning it on caused the model to become unstable. Additionally, the rate of isopycnal mixing is directly proportional to a mixing coefficient $A_{Redi}$ whose value varies from less than 400 m 2 /s to 2000 m 2 /s across contemporary climate models. The main thrusts of this proposal therefore were to: 1.) Improve the numerics of isopycnal mixing in E3SM; 2.) Identify ways in which climate models are sensitive to the isopycnal mixing coefficient; and 3.) Develop better representations of the isopycnal mixing coefficient.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Future Changes in Midwest Extreme Precipitation Depend on Storm Type

Midwestern U.S. extreme precipitation is associated with multiple storm types including mesoscale convective systems (MCSs) and/or training thunderstorms, tropical cyclone (TC) remnants, and winter storms. Anthropogenic warming is expected to increase climatological precipitation globally, however, there may be little correspondence with regional storm-based changes. Furthermore, uncertainty remains in precipitation-temperature scaling due to use of convective parameterization in most global models. In this study, we investigated historically impactful extreme precipitation events from multiple types of Midwest storms using the Weather Research and Forecasting model at convection-permitting resolution. We simulated five-member ensembles of historical hindcasts and experiments representing the storms in the future using the pseudo-global warming method. We found that future precipitation changes depend on storm type, with increases near Clausius-Clapeyron (CC) for winter storms, no consensus for MCSs and/or training thunderstorms, and sub-CC increases for TC remnants. This research highlights the importance of considering storm type in future extreme precipitation projections.

54 ENVIRONMENTAL SCIENCES↗