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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

In Situ Insights into Cathode Calcination for Predictive Synthesis: Kinetic Crystallization of LiNiO 2 from Hydroxides

Abstract Calcination is a solid‐state synthesis process widely deployed in battery cathode manufacturing. However, its inherent complexity associated with elusive intermediates hinders the predictive synthesis of high‐performance cathode materials. Here, correlative in situ X‐ray absorption/scattering spectroscopy is used to investigate the calcination of nickel‐based cathodes, focusing specifically on the archetypal LiNiO 2 from Ni(OH) 2 . Combining in situ observation with data‐driven analysis reveals concurrent lithiation and dehydration of Ni(OH) 2 and consequently, the low‐temperature crystallization of layered LiNiO 2 alongside lithiated rocksalts. Following early nucleation, LiNiO 2 undergoes sluggish crystallization and structural ordering while depleting rocksalts; ultimately, it turns into a structurally‐ordered layered phase upon full lithiation but remains small in size. Subsequent high‐temperature sintering induces rapid crystal growth, accompanied by undesired delithiation and structural degradation. These observations are further corroborated by mesoscale modeling, emphasizing that, even though calcination is thermally driven and favors transformation towards thermodynamically equilibrium phases, the actual phase propagation and crystallization can be kinetically tuned via lithiation, providing freedom for structural and morphological control during cathode calcination.

36 MATERIALS SCIENCE↗
NASA NTRS1986

An analysis of mesoscale VAS retrievals using statistical structure functions

Mesoscale sounding data from a truth rawinsonde network and a VAS from March 6-7, 1982 are statistically studied. The parameters of temperature, geopotential height, and mixing ratio at 850, 700, 500, 300, and 200 mb levels, and thickness and precipitable water are examined. The VAS retrieval gradients derived from a physical algorithm and from a regression technique are analyzed; the analysis reveals that both techniques have similar error characteristics and capabilities for calculating gradients of mesoscale temperature and geopotential height. Ground-truth rawinsonde data and VAS retrievals are compared; it is observed that VAS data describes weaker gradients than rawinsonde data.

Fuelberg, H. E.↗
DOE OSTI2025

Mesoscale Magnetostructural Phase Separation in Fe‐deficient Fe 5 GeTe 2

Two-dimensional van der Waals ferromagnet Fe 5-x GeTe 2 (F5GT) is promising for spintronic applications due to its high Curie temperature, layered structure, and ability to host complex magnetic textures. However, the origin of its sample-dependent magnetic anisotropy remains unclear, hindering control of its magnetic behavior. Here, we use spatially resolved cryogenic scanning transmission electron microscopy (STEM) to correlatively map magnetism, lattice structure, and chemistry across atomic-to-micron scales. We reveal that only mesoscale, not nanoscale, inclusions of a Fe-deficient secondary phase significantly modify magnetic behavior, establishing a previously unrecognized critical length scale. This phase separation, induced by quenching, leads to in-plane magnetic anisotropy, while slow cooling confines separation to a few nanometers and preserves out-of-plane anisotropy. These findings reconcile prior inconsistencies and establish a predictive framework for tuning magnetism in F5GT through thermal processing, with broader implications for controlling anisotropy in other two-dimensional magnetic materials.

2D ferromagnets↗
DOE OSTI2021

Tunable Nanoscale Evolution and Topological Phase Transitions of a Polar Vortex Supercrystal

Here, understanding the phase transitions and domain evolutions of mesoscale topological structures in ferroic materials is critical to realizing their potential applications in next-generation high-performance storage devices. Here, the behaviors of a mesoscale supercrystal are studied with 3D nanoscale periodicity and rotational topology phases in a PbTiO 3 /SrTiO 3 (PTO/STO) superlattice under thermal and electrical stimuli using a combination of phase-field simulations and X-ray diffraction experiments. A phase diagram of temperature versus polar state is constructed, showing the formation of the supercrystal from a mixed vortex and α-twin state and a temperature-dependent erasing process of a supercrystal returning to a classical α-twin structure. Under an in-plane electric field bias at room temperature, the vortex topology of the supercrystal irreversibly transforms to a new type of stripe-like supercrystal. Under an out-of-plane electric field, the vortices inside the supercrystal undergo a topological phase transition to polar skyrmions. These results demonstrate the potential for the on-demand manipulation of polar topology and transformations in supercrystals using electric fields. The findings provide a theoretical understanding that may be utilized to guide the design and control of mesoscale polar structures and to explore novel polar structures in other systems and their topological nature.

P=phase-field simulations↗
DOE OSTI2021

Ferroelectric phase-transition frustration near a tricritical composition point

Phase transition describes a mutational behavior of matter states at a critical transition temperature or external field. Despite the phase-transition orders are well sorted by classic thermodynamic theory, ambiguous situations interposed between the first- and second-order transitions were exposed one after another. Here, we report discovery of phase-transition frustration near a tricritical composition point in ferroelectric Pb(Zr 1-x Ti x )O 3 . Our multi-scale transmission electron microscopy characterization reveals a number of geometrically frustrated microstructure features such as self-assembled hierarchical domain structure, degeneracy of mesoscale domain tetragonality and decoupled polarization-strain relationship. Associated with deviation from the classic mean-field theory, dielectric critical exponent anomalies and temperature dependent birefringence data unveil that the frustrated transition order stems from intricate competition of short-range polar orders and their decoupling to long-range lattice deformation. With supports from effective Hamiltonian Monte Carlo simulations, our findings point out a potentially universal mechanism to comprehend the abnormal critical phenomena occurring in phase-transition materials.

42 ENGINEERING↗
DOE OSTI2026

Structure of Complex Liquid–Liquid Extraction Organic Phases for Rare Earth Separations

Complex, multicomponent liquids with hierarchical structure and phase transitions are encountered in many natural and industrial processes, including in chemical separations. One notable example is aggregation and organic phase splitting in liquid–liquid extraction (LLE) of metal ions. While these two phenomena that have long been closely associated, a mechanistic link between mesoscale structure and the capacity-limiting organic phase splitting remains elusive due to complexity of these systems. Here, in this study, we combine small-angle X-ray scattering (SAXS), X-ray photon correlation spectroscopy (XPCS), and molecular dynamics simulation to reveal a comprehensive picture of structure at the nano- and mesoscale in these complex solutions. For the representative case of rare earth extraction from an acidic aqueous phase by a malonamide extractant in dodecane, we investigate a wide range of process-relevant extractant and acid concentrations to provide a complete picture of how aggregation depends on composition. We decompose organic phase structure from SAXS into two contributions, which together can capture the scattering at all compositions: composition fluctuations described by the Ornstein–Zernike equation at low wavenumber Q, and nanostructure modeled by a “pre-peak” at intermediate Q. The former contains information about the thermodynamics of demixing, while the latter reflects nanoscopic self-assembly of the extractant and extracted solutes. While fluctuations have typically not been considered in the literature, we find they in fact dominate the total structure for nearly all practical conditions. As only the fluctuations have a strong temperature response, we confirm this attribution with temperature-dependent SAXS measurements, including for extracted europium nitrate complexes. SAXS and XPCS measurements near the critical point find static and dynamic scaling consistent with theory. Overall, this new paradigm for understanding LLE organic phases connects composition, nanoscale, and mesoscale structuring to phase behavior, providing both a comprehensive picture of solution structure and a quantitative link between aggregation and third phase formation.

Peroutka, Allison A. [Argonne National Laboratory ↗
NASA NTRS1987

A numerical study of Appalachian cold-air damming and coastal frontogenesis

The mesoscale structures of the wedge-shaped pressure ridge and the coastal front associated with the Appalachian ice storm of January 13-14, 1980 is analyzed using a mesoscale model. The characteristic features of the mesoscale model, which uses 15 vertical levels, 50-km grid length, and multilevel, boundary-layer parameterization, are described. The simulation of the surface layer winds and temperature, the evolution of the vertical temperature structure of the wedge-ridge region, and model simulations of the low-level jets and the coastal front are examined. Trajectories based on the 24-hr simulation of the winds are discussed.

Stauffer, David R.↗
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 OSTI2020

Mesoscale simulations of High Burnup Fuel Fragmentation: Applying phase-field modeling to understand high burnup fuel fragmentation during loss of coolant accident conditions

During a loss-of-coolant accident (LOCA) in a nuclear power plant, a rapid increase in temperature is experienced in the fuel. In commercial light water reactors (LWRs), the high burnup structure (HBS) forms in regions of the UO 2 fuel where local burnup is high, characterized by smaller grain sizes and large, overpressurized bubbles. During a LOCA transient, fuel in the HBS region is susceptible to fine fragmentation, where the fuel breaks up into micron-size fragments (sometimes referred to as pulverization). To better understand the mechanisms behind this phenomenon, mesoscale computational modeling using the Idaho National Laboratory code Marmot has been employed to simulate the process of HBS formation and response to a LOCA transient. The process of complete and partial HBS formation was demonstrated in prototypical LWR conditions. The simulated HBS microstructures from these simulations were passed to a phase-field model of fracture. To provide a more direct comparison with experiments, a set of experiments conducted by Studsvik on fine fragmentation/pulverization during LOCA conditions was simulated using the BISON fuel performance code. The temperature profiles from the BISON simulations were passed to a phase-field model to determine the gas bubble pressure as a function of time. These pressure histories were used in a phase-field model of fracture to determine under what conditions and in which types of bubbles fine fragmentation was likely to occur.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2018

An Overview of the TROPICS NASA Earth Venture Mission

The Time-Resolved Observations of Precipitation structure and storm Intensity with a Constellation of Smallsats (TROPICS) mission was selected by NASA as part of the Earth Venture-Instrument (EVI-3) program. The overarching goal for TROPICS is to provide nearly all-weather observations of 3D temperature and humidity, as well as cloud ice and precipitation horizontal structure, at high temporal resolution to conduct high-value science investigations of tropical cyclones. TROPICS will provide rapid-refresh microwave measurements (median refresh rate better than 60 min for the baseline mission) which can be used to observe the thermodynamics of the troposphere and precipitation structure for storm systems at the mesoscale and synoptic scale over the entire storm life cycle. TROPICS comprises six Cube-Sats in three low-Earth orbital planes. Each CubeSat will host a high-performance radiometer to provide temperature profiles using seven channels near the 118.75 GHz oxygen absorption line, water vapour profiles using three channels near the 183 GHz water vapour absorption line, imagery in a single channel near 90 GHz for precipitation measurements (when combined with higher-resolution water vapour channels), and a single channel near 205 GHz which is more sensitive to precipitation-sized ice particles. This observing system offers an unprecedented combination of horizontal and temporal resolution to measure environmental and inner-core conditions for tropical cyclones on a nearly global scale and is a major leap forward in the temporal resolution of several key parameters needed for assimilation into advanced data assimilation systems capable of utilizing rapid-update radiance or retrieval data.Launch readiness is currently projected for late 2019.

TROPICS↗
NASA NTRS1984

Soil temperature extrema recovery rates after precipitation cooling

From a one dimensional view of temperature alone variations at the Earth's surface manifest themselves in two cyclic patterns of diurnal and annual periods, due principally to the effects of diurnal and seasonal changes in solar heating as well as gains and losses of available moisture. Beside these two well known cyclic patterns, a third cycle has been identified which occurs in values of diurnal maxima and minima soil temperature extrema at 10 cm depth usually over a mesoscale period of roughly 3 to 14 days. This mesoscale period cycle starts with precipitation cooling of soil and is followed by a power curve temperature recovery. The temperature recovery clearly depends on solar heating of the soil with an increased soil moisture content from precipitation combined with evaporation cooling at soil temperatures lowered by precipitation cooling, but is quite regular and universal for vastly different geographical locations, and soil types and structures. The regularity of the power curve recovery allows a predictive model approach over the recovery period. Multivariable linear regression models alloy predictions of both the power of the temperature recovery curve as well as the total temperature recovery amplitude of the mesoscale temperature recovery, from data available one day after the temperature recovery begins.

Welker, J. E.↗
DOE OSTI2022

Structure of Offshore Low-Level Jet Turbulence and Implications to Mesoscale-to-Microscale Coupling

This paper explores realistic nonstationary atmospheric boundary layer (ABL) turbulence arising from nonstationarity at the mesoscale, particularly within offshore low-level jets with implications to offshore wind farms, using high-fidelity multiscale large-eddy simulations (LES). To this end, we analyzed the single-point turbulence statistical structure of a North-Atlantic offshore LLJ event simulated using high-resolution LES (AMR-Wind). The nonstationary LLJ is simulated using a mesoscale-to-microscale coupled (MMC) simulation procedure involving data assimilation of mesoscale velocity and temperature data from the Weather Research and Forecasting (WRF) model. Unlike the assimilation of mesoscale velocity data into the LES, the direct assimilation of temperature profiles had a strong impact on turbulence stratification, thereby causing erroneous predictions of turbulence both above and within the jet layer. Various approaches to mitigate this effect have resulted in multiple (four) variants of this MMC strategy. Outcomes from this work clearly show that the turbulence within the low-level jet is a strong function of the MMC approach as the turbulence structure within the low-level jet is dependent on the flux of residual turbulence from outside the jet, which in turn depends on the temperature forcing history. Additionally, the turbulence predicted by all these different methods (as well as the observation data) show similar deviations from equilibrium as evidenced by comparisons with idealized atmospheric turbulence structure obtained using the same numerical method. In general, we observe that the predicted LLJ turbulence tends to differ from canonical ABL turbulence with comparable shear. Particularly, the combination of shear and turbulence observed in such nonstationary low-level turbulence cannot be matched using equilibrium settings and therefore, represents a critical use-case for both testing and leveraging meso–micro coupling strategies.

17 WIND ENERGY↗
NASA NTRS1985

Improved satellite retrievals and mesoscale moisture variability

The investigations over the past year have led to the finalization of results from the study of mesoscale atmospheric parameters derived from the visible infrared spin scan radiometer (VISSR) atmospheric sounder (VAS). Soundings from several retrieval techniques for the 6 to 7 March 1982 special observation period were evaluated for mesoscale accuracy. Specific results and comparisons between data from a regression and two physical retrieval schemes are forthcoming in the Journal of Atmospheric and Oceanic Technology (JTech) this year. A generalization of these results is outlined. Large temperature and moisture biases existed in the VAS derived profiles, particularly in layers near inversions. Standard errors ranged from 1 to 3 C and 3 to 6 C for temperature and dewpoint, respectively. Parameters derived from VAS soundings (geopotential height, thickness, and precipitable water) often reflected the temperature and moisture profile biases. VAS derived mesoscale gradients were often weaker than those from corresponding rawinsonde data. Little improvement was made in defining the vertical structure of the atmosphere over the first guess information. VAS soundings were able to improve in the horizontal structure due to the high spatial resolution of the radiance data.

Jedlovec, G. J.↗
NASA NTRS2018

Overview of the NASA TROPICS CubeSat Constellation Mission

Recent technology advances in miniature microwave radiometers that can be hosted on very small satellites has made possible a new class of affordable constellation missions that provide very high revisit rates of tropical cyclones and other severe weather. The Time-Resolved Observations of Precipitation structure and storm Intensity with a Constellation of Smallsats (TROPICS) mission was selected by NASA as part of the Earth Venture–Instrument (EVI-3) program and is now in development with planned launch readiness in late 2019. The overarching goal for TROPICS is to provide nearly all-weather observations of 3-D temperature and humidity, as well as cloud ice and precipitation horizontal structure, at high temporal resolution to conduct high-value science investigations of tropical cyclones (TCs). TROPICS will provide rapid-refresh microwave measurements (median refresh rate better than 60 minutes for the baseline mission) over the tropics that can be used to observe the thermodynamics of the troposphere and precipitation structure for storm systems at the mesoscale and synoptic scale over the entire storm lifecycle. TROPICS will comprise a constellation of at least six CubeSats in three low-Earth orbital planes. Each CubeSat will host a high performance radiometer to provide temperature profiles using seven channels near the 118.75 GHz oxygen absorption line, water vapor profiles using three channels near the 183 GHz water vapor absorption line, imagery in a single channel near 90 GHz for precipitation measurements (when combined with higher resolution water vapor channels), and a single channel at 205 GHz that is more sensitive to precipitation-sized ice particles and low-level moisture. This observing system offers an unprecedented combination of horizontal and temporal resolution in the microwave spectrum to measure environmental and inner-core conditions for TCs on a nearly global scale and is a major leap forward in the temporal resolution of several key parameters needed for assimilation into advanced data assimilation systems capable of utilizing rapid-update radiance or retrieval data. Here, we provide an overview of the mission and an update on current status, with a focus on unique characteristics of the Cubesat system, recent performance simulations on a range of observables to be provided by the constellation, and a summary of science applications.

Blackwell, W. J.↗
NASA NTRS1984

An analysis of the AVE-SESAME I period using statistical structure and correlation functions

Structure and correlation functions are used to describe atmospheric variability during the 10-11 April day of AVE-SESAME 1979 that coincided with the Red River Valley tornado outbreak. The special mesoscale rawinsonde data are employed in calculations involving temperature, geopotential height, horizontal wind speed and mixing ratio. Functional analyses are performed in both the lower and upper troposphere for the composite 24 h experiment period and at individual 3 h observation times. Results show that mesoscale features are prominent during the composite period. Fields of mixing ratio and horizontal wind speed exhibit the greatest amounts of small-scale variance, whereas temperature and geopotential height contain the least. Results for the nine individual times show that small-scale variance is greatest during the convective outbreak. The functions also are used to estimate random errors in the rawinsonde data. Finally, sensitivity analyses are presented to quantify confidence limits of the structure functions.

Fuelberg, H. E.↗
NASA NTRS2018

Overview of the NASA TROPICS CubeSat Constellation Mission

Recent technology advances in miniature microwave radiometers that can be hosted on very small satellites has made possible a new class of affordable constellation missions that provide very high revisit rates of tropical cyclones and other severe weather. The Time-Resolved Observations of Precipitation structure and storm Intensity with a Constellation of Smallsats (TROPICS) mission was selected by NASA as part of the Earth Venture-Instrument (EVI-3)program and is now in development with planned launch readiness in late 2019. The overarching goal for TROPICS is to provide nearly all-weather observations of 3-D temperature and humidity, as well as cloud ice and precipitation horizontal structure, at high temporal resolution to conduct high-value science investigations of tropical cyclones (TCs). TROPICS will provide rapid-refresh microwave measurements (median refresh rate better than 60 minutes for the baseline mission) over the tropics that can be used to observe the thermodynamics of the troposphere and precipitation structure for storm systems at the mesoscale and synoptic scale over the entire storm life cycle. TROPICS will comprise a constellation of at least six CubeSats in three low-Earth orbital planes. Each CubeSat will host a high performance radiometer to provide temperature profiles using seven channels near the 118.75 GHz (gigahertz) oxygen absorption line, water vapor profiles using three channels near the 183 GHz water vapor absorption line, imagery in a single channel near 90 GHz for precipitation measurements (when combined with higher resolution water vapor channels), and a single channel at 205 GHz that is more sensitive to precipitation-sized ice particles and low-level moisture. This observing system offers an unprecedented combination of horizontal and temporal resolution in the microwave spectrum to measure environmental and inner-core conditions for TCs on a nearly global scale and is a major leap forward in the temporal resolution of several key parameters needed for assimilation into advanced data assimilation systems capable of utilizing rapid-update radiance or retrieval data. Here, we provide an overview of the mission and an update on current status,with a focus on unique characteristics of the Cubesat system, recent performance simulations on a range of observables to be provided by the constellation, and a summary of science applications.

Passive Microwave↗
NASA NTRS2000

Effect of Combined Spaceborne Microwave and Continuous Lightning Measurements on Precipitation Forecasts of the 1998 Ground-Hog Day Storm

We evaluated the impact of several newly available sources of meteorological data on mesoscale model forecasts of precipitation produced by the extra-tropical cyclone that struck Florida on February 2, 1998. Precipitation distributions of convective rainfall events were derived from Special Sensor Microwave Imager (SSM/I) and Multi-Channel Passive Microwave Sensor (TMI) microwave radiometric data by means of the Goddard PROFiling (GPROF) algorithm. Continuous lightning distributions were obtained from sferics measurements obtained from a network of VLF radio receivers. Histograms of coincident sferics frequency distributions were matched to those of precipitation to derive bogus convective rainfall rates from the continuously available sferics measurements. SSM/I and TMI microwave data were used to derive Integrated Precipitable Water (IPW) distributions. The TMI also provided sea surface temperatures (SSTS) of the Loop Current and Gulf Stream with improved structural detail. A series of experiments assimilated IPW and latent heating from the bogus convective rainfall for six-hours in the MM5 mesoscale forecast model to produce nine-hour forecasts of all rainfall as well as other weather parameters. Although continuously assimilating latent heating only slightly improved the surface pressure distribution forecast, it significantly improved the precipitation forecasts. Correctly locating convective rainfall was found critical for assimilating latent heating in the forecast model, but measurement of the rainfall intensity proved to be less important. The improved SSTs also had a positive impact on rainfall forecasts for this case. Assimilating bogus rainfall in the model produced nine-hour forecasts of radar reflectivity distributions that agreed well with coincident observations from the TRMM spaceborne precipitation radar, ground based radar and spaceborne microwave measurements.

Weinman, James A.↗
NASA NTRS1984

Regional scale simulation of atmospheric structure using VAS data

Investigations with both Subsynoptic Scale Model (SSM) and Limited Area Mesoscale Prediction System (LAMPS) are directed at model static initializations using Visible Infrared Spin Scan Radiometer Atmospheric Sounder (VAS) derived temperatures and moistures and also satellite derived winds. The general approach for each day's case study is similar. A 12-hour control forecast (no satellite data) is made 12Z-OZ, using a radiosonde analysis at 12Z as the initial field. For the satellite data experiments, reanalyses are performed at intermediate times, using VAS soundings or VAS soundings in combination with satellite winds. Forecasts are subsequently made from the reanalysis time(s) to the same validation hour (OZ) as the control forecasts. Comparisons are then made between the control forecast and satellite experiments.

Disk, G.↗