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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.

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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
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 OSTI2021

Effects of organized convection parameterization on the MJO and precipitation in E3SMv1. Part I: Mesoscale heating

Mesoscale organization of convection is typically not represented in global circulation models, and hence its influence on the global circulation is not accounted for. The heating component of a parameterization that represents the dynamical and physical effects of circulations associated with organized convection, referred to as the multiscale coherent structure parameterization (MCSP), is implemented in the Energy Exascale Earth System Model version 1 (E3SMv1). Numerical simulations are conducted to assess its impact on the simulated climate. Besides E3SMv1 simulations, we performed high-resolution (1 km) simulations using the Weather Research and Forecasting (WRF) Model to determine the temperature tendencies induced by mesoscale convective systems embedded in deep convection. We tuned the free parameters of the MCSP based on the WRF simulations. MCSP heating enhances Kevin wave spectra in E3SMv1, improves the representation of the Madden-Julian Oscillation, and impacts on mean precipitation that vary with locations and seasons, including a reduction of biases over the tropical Pacific.

Climate Modeling↗
DOE OSTI2021

Selective dopant segregation modulates mesoscale reaction kinetics in layered transition metal oxide

Incorporation of foreign elements into the cathode material is broadly adopted by both academia and industry to improve the battery performance. The lack of an in-depth understanding for the underlying mechanism, however, makes it a largely try-and-error process with unsatisfactory efficiency and effectiveness. This is particularly true for the electrochemical reaction kinetics that is heterogeneous over a broad range of length scales and is determined collectively by the cathode’s electronic structure, lattice configuration, and micro-morphology. In this work, we unveiled a facet-dependent dopant segregation effect in Zr-modified single-crystal LiNi 0.6 Co 0.2 Mn 0.2 O 2 cathode. By forming kinetically favored corners on the cathode particles, the presence of a trace amount of Zr critically modulates the mesoscale reaction kinetics. Our findings suggest that a delicately controlled dopant distribution is a viable strategy for designing the next-generation battery cathode with superior structural and chemical robustness.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The interpenetration polymer network in a cement paste–waterborne epoxy system

The formation of the interpenetrating polymer network (IPN) structure within the cement-polymer system has been revealed by experiments from 2 dimensional to 3-dimensional scales. However, the microstructure design and performance prediction of IPN as a function of specific C-S-H/polymer components or ingredients' parameters e.g. water to cement ratios (w/c), polymer to cement ratios (p/c), monomer components, degree of polymerization (DP), etc. is by far not available. Here we developed a mesoscale model for IPN visualization based on the Flory-Huggins interaction theory which was applied to cement science for the first time. All the ingredients in the micro-structure were considered as soluble beads with rational sizes based on their properties obtained by molecular dynamic methods. The interaction parameters of each bead were then determined based on their element ratios and chemical backbones. The model was validated with the waterborne epoxy-cement material (WECM) in which a novel waterborne epoxy resin (WEP) was prepared and impregnated. The verification results on the 2D-3D scale show that the developed model predicts the WECM's IPN structures by rule and line concerning DP, w/c, and p/c in the mixture. The C-S-H beads were progressively scaled in size which alters the C-S-H texture to have completely different dissolution characteristics. Beads of diameter ~6 Å are more unstable and soluble which enable them to form a continuous phase in water or a composite structure with WEP. In contrast, beads with diameters larger than 10 Å have different properties with stronger nucleation effects. The results also suggest the impregnation content of WEP in cement-based material should be limited to 10% vol. to prevent the polymer IPN from decomposing into discrete clusters. The application of Flory-Huggins theory in cement-based composites demonstrates great potential in performance prediction and microstructure design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Integrated Nanotechnologies

Nanomaterials offer exceptional properties for photonic, electronic, quantum, magnetic, structural, mechanical, chemical, nuclear, and biological functionality. However, real access to enhanced functionality remains limited without connecting the nanoscale across the mesoscale to macroscale assemblies and the ability to define and control nanomaterials organization, interactions, and interfaces. Integration is essential for accessing and controlling functionality to harness nanomaterials properties while also generating new behaviors and properties. Integration thus provides a route to discovering, generating, and using intrinsic and emergent nanomaterials properties, which define the two focus areas of this leadership theme.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PDADMAC/PSS Oligoelectrolyte Multilayers: Internal Structure and Hydration Properties at Early Growth Stages from Atomistic Simulations

We analyze the internal structure and hydration properties of poly(diallyl dimethyl ammonium chloride)/poly(styrene sulfonate sodium salt) oligoelectrolyte multilayers at early stages of their layer-by-layer growth process. Our study is based on large-scale molecular dynamics simulations with atomistic resolution that we presented recently [Sánchez et al., Soft Matter 2019, 15, 9437], in which we produced the first four deposition cycles of a multilayer obtained by alternate exposure of a flat silica substrate to aqueous electrolyte solutions of such polymers at 0.1M of NaCl. In contrast to any previous work, here we perform a local structural analysis that allows us to determine the dependence of the multilayer properties on the distance to the substrate. We prove that the large accumulation of water and ions next to the substrate observed in previous overall measurements actually decreases the degree of intrinsic charge compensation, but this remains as the main mechanism within the interface region. We show that the range of influence of the substrate reaches approximately 3 nm, whereas the structure of the outer region is rather independent from the position. This detailed characterization is essential for the development of accurate mesoscale models able to reach length and time scales of technological interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Shuttle Atlantis to deploy Galileo probe toward Jupiter

The objectives of Space Shuttle Mission STS-34 are described along with major flight activities, prelaunch and launch operations, trajectory sequence of events, and landing and post-landing operations. The primary objective of STS-34 is to deploy the Galileo planetary exploration spacecraft into low earth orbit. Following deployment, Galileo will be propelled on a trajectory, known as Venus-Earth-Earth Gravity Assist (VEEGA), by an inertial upper stage (IUS). The objectives of the Galileo mission are to study the chemical composition, state, and dynamics of the Jovian atmosphere and satellites, and investigate the structure and physical dynamics of the Jovian magnetosphere. Secondary STS-34 payloads include the Shuttle Solar Backscatter Ultraviolet (SSBUV) instrument; the Mesoscale Lightning Experiment (MLE); and various other payloads involving polymer morphology, the effects of microgravity on plant growth hormone, and the growth of ice crystals.

Source record↗
NASA NTRS1989

Planned ER-2 Doppler radar (EDOP) for studying convective storms and mesoscale phenomena

A radar development is presently funded by the NASA Mesoscale Atmospheric Research Program to build an X-band Doppler radar (EDOP) for the ER-2 aircraft for measuring the structure of updrafts and downdrafts in deep convective systems. In this paper, the radar's scientific objectives and characteristics are briefly reviewed. These objectives include documentation of deep isolated thunderstorms, examination of cloud top and anvil structure, structure of microscale convective systems, cloud microphysics, and testing of satellite precipitation estimation algorithms. System specifications for the radar are given.

Heymsfield, Gerald M.↗
DOE OSTI2021

From classical thermodynamics to phase-field method

Phase-field method is a density-based computational method at the mesoscale for modeling and predicting the temporal microstructure and property evolution during materials processes. The focus of this article is on connecting the most common phase-field equations to the very basic first and second laws of classical thermodynamics through rudimentary irreversible thermodynamics. It briefly discusses the relations of the continuum phase-field equations to their counter parts at the microscopic and atomic levels. It attempts to clarify the contributions of long-range elastic, electrostatic, and magnetic interactions to domain structure evolution during structural, ferroelectric, and ferromagnetic phase transformations by separating order parameter changes due to the presence of quasi-static fields and those arising from phase transformations. A few examples are presented to demonstrate the possibility of employing the phase-field method to provide guidance to designing materials for optimum properties or discovering novel mesoscale phenomena or new materials functionalities. Here, the article ends with a brief perspective on a number of potential future directions on the development and applications of phase-field method beyond its traditional applications to structural alloys.

36 MATERIALS SCIENCE↗
NASA NTRS2019

Impact of Assimilating Adaptively Thinned AIRS Cloud-Cleared Radiances in the GEOS

This work examines the assimilation of AIRS (Atmospheric Infrared Sounder) radiances from two points of view: the thinning strategy and the use of cloud-cleared radiances as opposed to clear-sky. Previous published work by this team, based on a very large set of Observing System Experiments performed with a 2014 3DVAR version of the GEOS (Goddard Earth Observing System), has shown that the assimilation of adaptively thinned AIRS cloud-cleared radiances (CCRs) improves the representation of tropical cyclones (TCs) without damaging the global forecast skill. The simple adaptive methodology is based on denser AIRS coverage in moving domains centered on TCs, and sparser coverage everywhere else. Subsequent experiments showed that the adaptive methodology produces good results also when applied to clear-sky CrIS (Cross-track Infrared Sounder) and IASI (Infrared Atmospheric Sounding Interferometer) radiances. In addition, the results indicate that the density of all hyperspectral data assimilated over meteorologically inactive areas is excessive, probably because of horizontal error correlation, suggesting that the global thinning should be more aggressive. More recent work focused on the polar regions has shown another positive impact of assimilating cloud-cleared AIRS radiances instead of clear-sky. The results show that high latitude atmospheric dynamics is very sensitive to the representation of the lower tropospheric temperature structure over the Arctic region. Specifically, assimilation of CCRs over areas that are data poor and also affected by broken stratus clouds, and as such minimally observed by AIRS clear-sky radiances, changes substantially the temperature structure over the Arctic low troposphere. Ingestion of CCRs over the region propagates, through hydrostatic adjustments, to mid-tropospheric geopotential height, allowing for better prediction of mid-latitude waves. In addition, adaptively thinned CCRs also improve the representation of mesoscale convective cyclones at high latitudes. An example of an Antarctic low is provided. Finally, recent ongoing work with the hybrid 4DenVAR GEOS, investigating the 2017 boreal TC season, has confirmed the previous results: namely that aggressively thinned cloud-cleared radiances improve TC structure with no loss of global skill.

CCR↗
NASA NTRS2008

Mesoscale Raised Rim Depressions (MRRDs) on Earth: A Review of the Characteristics, Processes, and Spatial Distributions of Analogs for Mars

Fields of mesoscale raised rim depressions (MRRDs) of various origins are found on Earth and Mars. Examples include rootless cones, mud volcanoes, collapsed pingos, rimmed kettle holes, and basaltic ring structures. Correct identification of MRRDs on Mars is valuable because different MRRD types have different geologic and/or climatic implications and are often associated with volcanism and/or water, which may provide locales for biotic or prebiotic activity. In order to facilitate correct identification of fields of MRRDs on Mars and their implications, this work provides a review of common terrestrial MRRD types that occur in fields. In this review, MRRDs by formation mechanism, including hydrovolcanic (phreatomagmatic cones, basaltic ring structures), sedimentological (mud volcanoes), and ice-related (pingos, volatile ice-block forms) mechanisms. For each broad mechanism, we present a comparative synopsis of (i) morphology and observations, (ii) physical formation processes, and (iii) published hypothesized locations on Mars. Because the morphology for MRRDs may be ambiguous, an additional tool is provided for distinguishing fields of MRRDs by origin on Mars, namely, spatial distribution analyses for MRRDs within fields on Earth. We find that MRRDs have both distinguishing and similar characteristics, and observation that applies both to their mesoscale morphology and to their spatial distribution statistics. Thus, this review provides tools for distinguishing between various MRRDs, while highlighting the utility of the multiple working hypotheses approach.

Burr, Devon M.↗
NASA NTRS1999

The Dependence on Grid Resolution of Numerically Simulated Convective Cloud Systems Using Ice Microphysics

Mesoscale research and forecast models are increasingly being used at horizontal resolutions of 1-8 km to simulate a variety of precipitating systems. When the model is used to simulate convective systems, it is uncertain to what extent the dynamics and microphysics of convective updrafts can be resolved with grids larger than 1 km. In this study, two- and three-dimensional versions of the Goddard Cumulus Ensemble model are used to determine the impact of horizontal grid resolution on the behavior of the simulated storms and on the characteristics of the cloud microphysical fields. It will be shown that as resolution decreases from about 1 km to greater than 3 km, there is a fairly rapid degradation of the storm structure in the form of reduced convective mass fluxes, updraft tilts, and cloud microphysics. A high-resolution simulation of hurricane outer rainbands using the MM5 mesoscale model shows also that there can be a substantial modification of the key microphysical processes that contribute to rainfall as a result of reducing the horizontal resolution.

Braun, Scott A.↗
NASA NTRS2003

Mesoscale Computational Investigation of Shocked Heterogeneous Materials with Application to Large Impact Craters

The propagation of shock waves through target materials is strongly influenced by the presence of small-scale structure, fractures, physical and chemical heterogeneities. Pre-existing fractures often create craters that appear square in outline (e.g. Meteor Crater). Reverberations behind the shock from the presence of physical heterogeneity have been proposed as a mechanism for transient weakening of target materials. Pre-existing fractures can also affect melt generation. In this study, we are attempting to bridge the gap in numerical modeling between the micro-scale and the continuum, the so-called meso-scale. To accomplish this, we are developing a methodology to be used in the shock physics hydrocode (CTH) using Monte-Carlo-type methods to investigate the shock properties of heterogeneous materials. By comparing the results of numerical experiments at the micro-scale with experimental results and by using statistical techniques to evaluate the performance of simple constitutive models, we hope to embed the effect of physical heterogeneity into the field variables (pressure, stress, density, velocity) allowing us to directly imprint the effects of micro-scale heterogeneity at the continuum level without incurring high computational cost.

Crawford, D. A.↗
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 NTRS1989

The development of an advanced microwave precipitation radiometer for future airborne measurements

An account is given of the development and preliminary testing of the Advanced Microwave Precipitation Radiometer (AMPR) for 10-85 GHz range precipitation retrieval and mesoscale storm-system studies conducted by ER-2 aircraft. AMPR exploits precipitation scattering signals to unambiguously retrieve precipitation and storm-structure intensity data. Attention is given to the AMPR's multifrequency feedhorn, which furnishes dual-polarization ports at 19.35, 37.0, and 85.5 GHz; the 10.7 GHz channel uses a separate horn/lens antenna with single polarization. The AMPR-equipped ER-2 will underfly the SSM/I space instrument to allow data comparisons of comparable spatial coverage.

Galliano, J. A.↗
NASA NTRS1993

Investigation of the role of thermal boundary layer processes in initiating convection under the NASA SPACE Field Program

The current NWS ground based network is not sufficient to capture the dynamic or thermodynamic structure leading to the initiation and organization of air mass moist convective events. Under this investigation we intend to use boundary layer mesoscale models (McNider and Pielke, 1981) to examine the dynamic triggering of convection due to topography and surface thermal contrasts. VAS and MAN's estimates of moisture will be coupled with the dynamic solution to provide an estimate of the total convective potential. Visible GOES images will be used to specify incoming insolation which may lead to surface thermal contrasts and JR skin temperatures will be used to estimate surface moisture (via the surface thermal inertia) (Weizel and Chang, 1988) which can also induce surface thermal contrasts. We will use the SPACE-COHMEX data base to evaluate the ability of the joint mesoscale model satellite products to show skill in predicting the development of air mass convection. We will develop images of model vertical velocity and satellite thermodynamic measures to derive images of predicted convective potential. We will then after suitable geographic registration carry out a pixel by pixel correlation between the model/satellite convective potential and the 'truth' which are the visible images. During the first half of the first year of this investigation we have concentrated on two aspects of the project. The first has been in generating vertical velocity fields from the model for COHMEX case days. We have taken June 19 as the first case and have run the mesoscale model at several different grid resolutions. We are currently developing the composite model/satellite convective image. The second aspect has been the attempted calibration of the surface energy budget to provide the proper horizontal thermal contrasts for convective initiation. We have made extensive progress on this aspect using the FIFE data as a test data set. The calibration technique looks very promising.

Mcnider, Richard T.↗
NASA NTRS2001

The Impact of TRMM Data on Mesoscale Numerical Simulation of Super Typhoon Paka

This paper assesses the impact of TRMM Microwave Imager (TMI) derived surface rainfall data on the numerical simulation of Super Typhoon Paka (1997). A series of mesoscale numerical simulations is conducted for simulating Super Typhoon Paka during its mature stage by using the Penn State/NCAR MM5 model with initial conditions derived from the Goddard Earth Observing System (GEOS) global analyses with and without assimilation of the TMI surface rainfall data. Simulation results clearly demonstrate that the GEOS analysis with TMI rainfall data leads to a improved MM5 simulation of Typhoon Paka in terms of its intensity and kinematical and precipitation structures, since inclusion of the rainfall data into initial and boundary condition improves the storm environmental conditions (e.g., moisture and circulation). Further improvement can also be obtained by incorporating TMI data with mesoscale bogus vortex information into the initial conditions.

Pu, Zhao-Xia↗
DOE OSTI2021

Replication Data for: Predicting X-ray Photoelectron Peak Shapes: the Effect of Electronic Structure

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗