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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Grand potential sintering simulations of doped UO 2 accident-tolerant fuel concepts

Chromium-doped UO is a widely-studied near-term deployable accident-tolerant fuel concept because it results in a dense, large-grain structure that increases the fuel resistance to densification, swelling, and fission gas release. A new charged-interstitial mechanism was recently proposed to describe the behavior of dopants like chromium in sintered UO 2 . Based on that mechanism, manganese was suggested as an even stronger dopant than chromium. In the current work we use mesoscale sintering simulations in an effort to validate the new mechanism. We compare the relative behavior of Cr-doped and undoped UO 2 against experimental data in the literature. We also make predictions of the relative behavior of Mn-doped UO 2 . Simulations are done using the phase field-based grand potential sintering model. Dopants have two effects on sintered UO 2 . They marginally increase the densification rate and greatly increase the average grain size. Both of these effects are individually tested in small-scale simulations. Then large 3D sintering simulations are used to test the combined behavior of both effects. The results for the densification rate simulations are consistent with experiments for Cr-doped fuels. However, we note the grain growth rates are lower than what is found in the literature for Cr-doped fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Cross slip of extended dislocations in face-centered cubic metals through phase-field modeling

Cross slip is a dislocation mechanism that significantly impacts the mechanical behavior of engineering alloys. Here, in this work, we advance a 3D phase-field dislocation dynamics (PFDD) mesoscale technique to simulate cross slip across a broad range of face-centered cubic (FCC) metals. The formulation incorporates elastic anisotropy, an FCC numerical grid, and a high-fidelity representation of the entire γ -surface from density functional theory for eight FCC metals and no adjustable parameters or rules. The relaxed core structures under zero stress for all metals are predicted to extend in plane. The analytical model for stacking fault width agrees well with the PFDD result under the assumption of elastic isotropy but overestimates it under elastic anisotropy, when the degree of anisotropy is large. The dynamic simulations are designed to elucidate the material parameters that influence the propensity for cross slip. Whether cross slip occurs under a non-Schmid stress or to bypass a hard obstacle, the critical stress to cross slip scales strongly with the anisotropic energy coefficient for a screw dislocation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ink-substrate interactions during 3D printing revealed by time-resolved coherent X-ray scattering

Additive printing techniques are regarded as revolutionary and versatile methods of advanced device manufacturing, stemming from the possibility to pattern materials on a custom-based approach and the potential to create novel microstructures and achieve new functionalities. Despite these advantages, the inherent anisotropy of the printing process is a source of property gradients within the printed materials, often associated with variable and/or poor performance. Up to date, the evolutionary pathways associated with printing have largely remained unaddressed, mainly owing to the difficulty to study the transformations induced in the material during processing. Time-resolved coherent X-ray scattering techniques, such as X-ray photon correlation spectroscopy, enable the in situ study of transient nanoscale and mesoscale states in a large variety of materials, including amorphous ones, by directly accessing the most relevant timescales and length scales of their nanoscale and mesoscale dynamics, self-assembly, and mesostructure evolution. In this work, we conduct in operando studies of continuous-flow direct writing with colloidal inks, focusing on how the ink formulation and ink-substrate interactions affect the processes that determine the macroscopic properties of the printed materials. We find fundamental differences in the ink structural relaxations emerging from the primary colloid properties (monodisperse versus aggregated colloids) and the substrates surface energy and mechanical properties. Our work helps to reveal and quantify the basic science governing the evolution of 3D-printed materials during processing, ultimately improving engineering criteria for the design of printable materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mesoscale Polymer Surfactants: Photolithographic Production and Localization at Droplet Interfaces

Stabilization of fluid droplets, classically as oil-in-water or water-in-oil emulsions, is typically conducted using molecular surfactants or small particulates that localize at oil-water interfaces. In this paper, we describe a method whereby thin polymer films are converted photolithographically to ribbon-like mesoscale objects, which in turn adsorb to fluid inter-faces where they extend as appendages, or arms, from the droplet surface. These “mesoscale polymer surfactants”, or MPSs, were prepared from thin polymer films containing reactive functional moieties, including coumarin for photo-crosslinking, triphenylsulfonium for photoacid generation, and tert-butyl ester for solubility switching. The resultant MPSs, prepared initially on Si substrates, were released into water to reveal an exquisite shape sensitivity (forming straight, bent, or helical structures) and affinity for droplet interfaces based on their preparation conditions and the properties of the surrounding liquid. Notably, the lithographic techniques employed were amenable to differentiating the wettability of MPS segments, affording access to diblock-like MPSs which adhered to dispersed droplets via their hydrophobic segments, allowing their hydrophilic segments to extend into the continuous phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

VISSR Atmospheric Sounder (VAS) simulation experiment for a severe storm environment

Radiance fields were simulated for prethunderstorm environments in Oklahoma to demonstrate three points: (1) significant moisture gradients can be seen directly in images of the VISSIR Atmospheric Sounder (VAS) channels; (2) temperature and moisture profiles can be retrieved from VAS radiances with sufficient accuracy to be useful for mesoscale analysis of a severe storm environment; and (3) the quality of VAS mesoscale soundings improves with conditioning by local weather statistics. The results represent the optimum retrievability of mesoscale information from VAS radiance without the use of ancillary data. The simulations suggest that VAS data will yield the best soundings when a human being classifies the scene, picks relatively clear areas for retrieval, and applies a "local" statistical data base to resolve the ambiguities of satellite observations in favor of the most probable atmospheric structure.

Chesters, D.↗
NASA NTRS2010

Coarse, Intermediate and High Resolution Numerical Simulations of the Transition of a Tropical Wave Critical Layer to a Tropical Storm

Recent work has hypothesized that tropical cyclones in the deep Atlantic and eastern Pacific basins develop from within the cyclonic Kelvin cat's eye of a tropical easterly wave critical layer located equatorward of the easterly jet axis. The cyclonic critical layer is thought to be important to tropical cyclogenesis because its cat's eye provides (i) a region of cyclonic vorticity and weak deformation by the resolved flow, (ii) containment of moisture entrained by the developing flow and/or lofted by deep convection therein, (iii) confinement of mesoscale vortex aggregation, (iv) a predominantly convective type of heating profile, and (v) maintenance or enhancement of the parent wave until the developing proto-vortex becomes a self-sustaining entity and emerges from the wave as a tropical depression. This genesis sequence and the overarching framework for describing how such hybrid wave-vortex structures become tropical depressions/storms is likened to the development of a marsupial infant in its mother's pouch, and for this reason has been dubbed the "marsupial paradigm". Here we conduct the first multi-scale test of the marsupial paradigm in an idealized setting by revisiting the Kurihara and Tuleya problem examining the transformation of an easterly wave-like disturbance into a tropical storm vortex using the WRF model. An analysis of the evolving winds, equivalent potential temperature, and relative vertical vorticity is presented from coarse (28 km), intermediate (9 km) and high resolution (3.1 km) simulations. The results are found to support key elements of the marsupial paradigm by demonstrating the existence of rotationally dominant region with minimal strain/shear deformation near the center of the critical layer pouch that contains strong cyclonic vorticity and high saturation fraction. This localized region within the pouch serves as the "attractor" for an upscale "bottom up" development process while the wave pouch and proto-vortex move together.

Montgomery, M. T.↗
NASA NTRS2022

Observing Coronal Microscales and Their Connection With Mesoscales

Why the Sun has a tenuous upper atmosphere some 1000 times hotter than the photosphere is a fundamental open problem in space plasma physics despite decades of study. A leading hypothesis, supported by indirect evidence, is that in most of the corona heating is confined to narrow current sheets in which energy is dissipated despite the low large-scale resistivity of the coronal plasma. Although the kinetic scales of reconnection or wave heating are beyond remote observation, thermal structure on scales ≲100 km are expected to be produced by the primary heating mechanisms operating within a filamentary magnetic field. This white paper considers what could be learned from direct observations of coronal plasma on those scales and outlines a mission concept that is more fully described in a Heliophysics Mission Concept Study for the Coronal Microscale Observatory.

Douglas Rabin↗
DOE OSTI2024

Tunability and Long-Range Enhancement of Resonance Energy Transfer Facilitated by Plasmonic Nanorods

Resonance energy transfer (RET) between molecules or quantum dots is an important process in many energy-related applications. Different environmental structures have been studied and demonstrated to be able to enhance the RET rates between a nearby donor–acceptor pair. In particular, cylindrical silver nanorods and nanowires have shown an extraordinary ability to transfer energy along their longitudinal axes over large distances. However, the detailed mechanism of such transfer and the effects on the molecular RET process are as yet elusive. In this study, we use the recently developed computational tool based on the plasmon-coupled RET method to systematically study the effects of nanorods with different dimensions on the RET rates. We find that highly frequency-dependent coupling factor (CF) spectra, whose amplitudes determine RET rates, can be obtained due to the localized surface plasmon polariton modes of the rods with nanoscale dimensions. Simple phenomenological models can be derived for the wavelengths of CF peaks in relation to the length and width of the nanorods, providing easy tunability for enhancing the RET rate in specific wavelength ranges. When coupled to longer rods with mesoscale lengths, exponential decay of the CF over long donor–acceptor distances with a small decay constant is observed, leading to the possibility of long-range RET processes. Furthermore, drumhead resonance modes emerge on the flat ends of the rod when the rod’s diameter reaches 300 nm, resulting in extra enhancement to RET rate compared to certain thinner rods. Furthermore, these findings shed new light on the mechanism of plasmonic enhancement with silver nanorods and establish design principles for how to optimally utilize these structures to manipulate RET processes for various applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

BISON microstructure-based pulverization criterion in high burnup structure

To improve the economics of commercial nuclear power production, utilities are seeking to increase the allowable burnup limit of UO$_2$ fuel. One of the main factors that contributes to the current burnup limit of 62 GWd/MTU in commercial light water reactors (LWRs) is the risk of fine fragmentation or pulverization during a loss of coolant accident (LOCA). Pulverization primarily occurs at high burnups, especially when the high burnup structure (HBS) has formed. To allow the industry to pursue increased burnup and develop mitigation strategies, it is essential to have improved capability to predict the onset of pulverization. However, the mechanism of pulverization is not well understood, and the existing predictive capabilities implemented in the BISON fuel performance code are empirical in nature. In this report, mesoscale simulations are used to improve understanding of the formation mechanism of the HBS and how it responds during a LOCA transient, and inform development of a BISON pulverization criterion. A phase-field model was used to simulate the evolution of bubble pressure as a result of HBS formation. The simulations showed that gas atoms diffuse from grain interiors to the new grain boundaries created during HBS formation, and diffuse rapidly along these grain boundaries to reach existing bubbles. This causes an increase in bubble pressure in existing bubbles, leading to bubble growth during steady-state operation. To simulate the response of HBS bubbles to a LOCA transient, a newly developed phase-field model was used; in agreement with preliminary results from FY20, bubble size did not change significantly during the duration of the transient. A phase-field fracture model was used to study fragmentation patterns in the HBS, including using input from the phase-field model as initial conditions. Phase-field fracture simulations were used to determine a pulverization criterion for BISON. A function for the critical pressure for pulverization to occur was fit to data from the phase-field fracture simulations, and this function was implemented as a material property in BISON. For comparison, an analytical criterion for pulverization was developed and implemented within the same material property.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1986

Passive microwave radiometer experiment for GOES-NEXT

A new passive microwave radiometer (PMR) experiment for GOES-NEXT is described. The PMR, expected to be in orbit in the early 1990's, is a multichannel microwave radiometer which will allow new measurements of temperature and moisture structure and precipitation by penetrating much of the overlying cloud cover near significant weather systems. PMR experimental objectives are to use a geostationary platform for the first time to obtain passive microwave imagery and soundings in a high time frequency mode to address several scientific objectives. These scientific objectives address current problems of atmospheric science at the mesoscale and in climate research.

Vonder Haar, Thomas H.↗
DOE OSTI2025

Turbulence-Resolving Simulations of Hurricane Laura (2020): Insights Into Extreme Winds and Eyewall Turbulence

Extreme weather events pose significant risks to coastal and offshore energy infrastructure. In this work, we investigate the structure of mean winds and turbulence near the surface ( z < 300 m) that occurred during Hurricane Laura in 2020 on the US Gulf Coast. To this end, we perform turbulence-resolving simulations (..delta..x = 33.33 m) that encompass the entire eyewall of Hurricane Laura by introducing a novel method that we will refer to as Moving-Mesoscale to Static-LES Integrated Coupling (MOSAIC). The simulation results are validated against surface, boundary-layer, and mid-tropospheric observations. Our analysis of the extreme wind conditions near the surface indicates that the mean wind and turbulence profiles vary greatly at and near the eyewall, resulting in extreme values of mean wind speed (U > 50 m * s-1) and turbulence kinetic energy (k ~ 50 m2 * s-2) at altitudes above 50 m . To investigate in detail the nature of turbulence within the eyewall of the storm, we conduct higher-resolution simulations (..delta..x = 11.11 m) of a portion of the hurricane. We provide a comprehensive statistical description of turbulence in the eyewall region, highlighting the need to employ ..delta..x ~ 10 m grid spacing to capture the integral length-scales near the surface, second- and higher-order central moments (i.e., skewness and kurtosis), and spectral coherence in the flow accurately. These numerical simulations provide the most detailed description of mean winds and turbulent conditions within the eyewall of a historical tropical cyclone to date, illustrating how high-resolution simulations can enhance limited turbulence measurements in hurricanes and giving insight into the extreme conditions threatening offshore and coastal infrastructure.

17 WIND ENERGY↗
NASA NTRS2002

Passive and Active Microwave Remote Sensing of Precipitation and Latent Heating Distributions in the Tropics from TRMM

Passive and active microwave remote sensing data are analyzed to identify signatures of precipitation and vertical motion in tropical convection. A database of cloud/radiative model simulations is used to quantify surface rain rates and latent heating profiles that are consistent with these signatures. At satellite footprint-scale (approximately 10 km), rain rate and latent heating estimates are subject to significant random errors, but by averaging the estimates in space and time, random errors are substantially reduced, Bias errors have been minimized by improving the microphysics in the supporting cloud/radiative model simulations, and by imposing a consistent definition of remotely-sensed and model-simulated convective/stratiform rain coverage. Remotely-sensed precipitation and latent heating distributions in the tropics are derived from Tropical Rainfall Measuring Mission (TRMM) and Special Sensor Microwave/ Imager (SSM/ I) sensor data. The prototype Version 6 TRMM passive microwave algorithm typically yields average heating profiles with maxima between 6 and 7 km altitude for organized mesoscale convective systems. Retrieved heating profiles for individual convective systems are compared to coincident estimates based upon a combination of dual-Doppler radar and rawinsonde data. Also, large-scale latent heating distributions are compared to estimates derived from a simpler technique that utilizes observations of surface rain rate and stratiform rain proportion to infer vertical heating structure. Results of these tests will be presented at the conference.

Olson, William S.↗
NASA NTRS2004

[Relationship Between Core Convective Structure and Intensity Change in Tropical Cyclones]

Tropical Storm Chantal during August 2001 was a storm that failed to intensify over the few days prior to making landfall on the Yucatan Peninsula. An observational study of Tropical Storm Chantal is presented using a diverse data set including remote and in situ measurements from the NASA ER-2 and DC-8 and the NOAA WP-3D N42RF aircraft and satellite data. The authors discuss the storm structure from the larger scale environment down to the convective scale. Large vertical shear (850-200 hPa shear magnitude range 8-15 m/s) plays a very important role in preventing Chantal from intensifying. The storm had a poorly defined vortex that only extended up to 5-6 km altitude, and an adjacent intense convective region that comprised an Mesoscale Convective System (MCS). The entire low-level circulation center was in the rain-free western side of the storm, about 80 km to the west-southwest of the MCS. The MCS appears to have been primarily the result of intense convergence between large scale, low-level easterly flow with embedded downdrafts, and the cyclonic vortex flow. The individual cells in the MCS such as Cell 2 during the period of the observations, were extremely intense with reflectivity core diameters of 10 km and peak updrafts exceeding 20 m/s. Associated with this MCS were two broad subsidence (warm) regions both of which had portions over the vortex. The first layer near 700 hPa was directly above the vortex and covered most of it. The second layer near 500 hPa was along the forward and right flanks of Cell 2 and undercut the anvil divergence region above. There was not much resemblance of these subsidence layers to typical upper level warm cores in hurricanes that are necessary to support strong surface winds and a low central pressure. The observations are compared to previous studies of weakly sheared storms and modeling studies of shear effects and intensification. The configuration of the convective updrafts, low-level circulation, and lack of vertical coherence between the upper and low level warming regions, likely inhibited intensification of Chantal. This configuration is consistent with modeling of vortices in sheared environments, which suggest strongest convection and rain in the downshear left quadrant of the storm, and subsidence in the upshear right quadrant. The vertical shear profile is however different from what was assumed in previous modeling in that the winds are strongest in the lowest levels and the deep tropospheric vertical shear is on the order of 10-12 m/s.

Source record↗
DOE OSTI2020

Water Structure and Properties at Hydrophilic and Hydrophobic Surfaces

The properties of water on both molecular and macroscopic surfaces critically influence a wide range of physical behaviors, with applications spanning from membrane science to catalysis to protein engineering. Yet, our current understanding of water interfacing molecular and material surfaces is incomplete, in part because measurement of water structure and molecular-scale properties challenges even the most advanced experimental characterization techniques and computational approaches. This review highlights progress in the ongoing development of tools working to answer fundamental questions on the principles that govern the interactions between water and surfaces. One outstanding and critical question is what universal molecular signatures capture the hydrophobicity of different surfaces in an operationally meaningful way, since traditional macroscopic hydrophobicity measures like contact angles fail to capture even basic properties of molecular or extended surfaces with any heterogeneity at the nanometer length scale. Resolving this grand challenge will require close interactions between state-of-the-art experiments, simulations, and theory, spanning research groups and using agreed-upon model systems, to synthesize an integrated knowledge of solvation water structure, dynamics, and thermodynamics.

catalysis (heterogeneous)↗
NASA NTRS1977

Severe weather prediction studies

A numerical forecast model is described which uses three-dimensional primitive equations to predict the evolution of the wind, temperature and moisture fields along with the subsynoptic-scale convective activity. There are 15 vertical levels set on a longitude-latitude horizontal grid. In this study, the horizontal grid distance is 70 km (0.625 deg latitude and 0.816 deg longitude at 40 deg N) and the time step is 90 sec. Orography is included and terrain coordinates are adopted. The forecast model is used to test two tornado-producing storms with very different synoptic structures. A 12 hr forecast is carried out for both cases. The rms errors of the forecast indicate much smaller errors in the middle troposphere than in the lower troposphere. The results demonstrate that a rather fine-mesh limited-area numerical model is capable of providing a valuable short-range forecast of the circulation and the mesoscale precipitation features.

Chang, C.-B.↗
NASA NTRS2006

Structure of Highly Sheared Tropical Storm Chantal during CAMEX-4

Tropical Storm Chantal during August 2001 was a storm that failed to intensify over the few days prior to making landfall on the Yucatan Peninsula. An observational study of Tropical Storm Chantal is presented using a diverse dataset including remote and in situ measurements from the NASA ER-2 and DC-8 and the NOAA WP-3D N42RF aircraft and satellite. The authors discuss the storm structure from the larger-scale environment down to the convective scale. Large vertical shear (850-200-hPa shear magnitude range 8-15 m/s) plays a very important role in preventing Chantal from intensifying. The storm had a poorly defined vortex that only extended up to 5-6-km altitude, and an adjacent intense convective region that comprised a mesoscale convective system (MCS). The entire low-level circulation center was in the rain-free western side of the storm, about 80 km to the west-southwest of the MCS. The MCS appears to have been primarily the result of intense convergence between large-scale, low-level easterly flow with embedded downdrafts, and the cyclonic vortex flow. The individual cells in the MCS such as cell 2 during the period of the observations were extremely intense, with reflectivity core diameters of 10 km and peak updrafts exceeding 20 m/s. Associated with this MCS were two broad subsidence (warm) regions, both of which had portions over the vortex. The first layer near 700 hPa was directly above the vortex and covered most of it. The second layer near 500 hPa was along the forward and right flanks of cell 2 and undercut the anvil divergence region above. There was not much resemblance of these subsidence layers to typical upper-level warm cores in hurricanes that are necessary to support strong surface winds and a low central pressure. The observations are compared to previous studies of weakly sheared storms and modeling studies of shear effects and intensification. The configuration of the convective updrafts, low-level circulation, and lack of vertical coherence between the upper- and lower-level warming regions likely inhibited intensification of Chantal. This configuration is consistent with modeled vortices in sheared environments, which suggest the strongest convection and rain in the downshear left quadrant of the storm, and subsidence in the upshear right quadrant. The vertical shear profile is, however, different from what was assumed in previous modeling in that the winds are strongest in the lowest levels and the deep tropospheric vertical shear is on the order of 10-12 m/s.

Heymsfield, G. M.↗
NASA NTRS1988

Simulation and diagnosis of water vapor imagery with mesoscale model output

The present simulation of 6.7-micron channel water vapor imagery employs March 6-7, 1982 soundings from the Limited Area Mesoscale Prediction System (LAMPS) mesoscale model as inputs to a radiative transfer scheme. A comparison of model-generated and observed brightness temperatures indicates that LAMPS was able to replicate major features of the VAS imagery, including the pronounced warm, dry development streak and a cold cloud area. The model was not, however, able to resolve such finer-scaled details as the double structure of the development portion of the streak.

Muller, Bradley M.↗
NASA NTRS1998

Mesoscale Variability in SUCCESS Data

Analysis of meteorological, chemical and microphysical data from the airborne SUCCESS (SUbsonic aircraft Contrail and Cloud Effects Special Study) mission is reported. Careful analysis of the complex DC-8 flight pattern of May 2, 1996 reveals 19 linear flight segments within six main geographical areas, which we have analyzed. Significant mountain wave activity is revealed in the data from the MMS (Meteorology Measurement System) and MTP (Microwave Temperature Profiler) instruments on the DC-8, which resembles previous observations of mountain wave structures near Boulder, Colorado. Strong mountain-wave-induced upwelling downwind of the Rockies is noted. Turbulence is also noted in regions of the mountain wave consistent with overturning near the tropopause. Zonal winds recorded on the ER-2 are shown to be consistent with mountain wave breaking at or near critical levels in the stratosphere, consistent with the strong turbulence reported by the pilot during the ER-2 flight. These observations have been supported with spectral analyses and modeling studies. 'Postcasts' of mountain wave activity on May 2, 1996 using the Naval Research Laboratory Mountain Wave Forecast Model predicts both strong mountain wave activity near the tropopause and strong mountain-wave-induced turbulence in the stratosphere.

Eckermann, Stephen D.↗