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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

Nucleon localization function in rotating nuclei

An electron localization function was originally introduced to visualize in positional space bond structures in molecules. It became a useful tool to describe electron configurations in atoms, molecules, and solids. In nuclear physics, a nucleon localization function (NLF) has been used to characterize cluster structures in light nuclei, formation of fragments in fission, and pasta phases appearing in the inner crust of neutron stars. In the case of a deformed rotating nucleus, several NLFs can be introduced, depending on the definition of the spin-quantization axis, direction of the total angular momentum, and self-consistent symmetries of the system. Contributions to the NLF from the current density, spin-current tensor density, and density gradient terms are negligible in the nuclear interior. The oscillating pattern of the simplified NLF can be explained in terms of a constructive interference between kinetic-energy and particle densities. The characteristic nodal pattern seen in the NLF in the direction of major axis of a rotating nucleus comes from single-particle orbits carrying large aligned angular momentum. The variation of the NLF along the minor axis of the nucleus can be traced back to deformation-aligned orbits.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Transcriptome Dynamics of the Inflorescence in Reciprocally Formed Allopolyploid Tragopogon miscellus (Asteraceae)

Polyploidy is an important evolutionary mechanism and is prevalent among land plants. Most polyploid species examined have multiple origins, which provide genetic diversity and may enhance the success of polyploids. In some polyploids, recurrent origins can result from reciprocal crosses between the same diploid progenitors. Although great progress has been made in understanding the genetic consequences of polyploidy, the genetic implications of reciprocal polyploidization remain poorly understood, especially in natural polyploids. Tragopogon (Asteraceae) has become an evolutionary model system for studies of recent and recurrent polyploidy. Allotetraploid T. miscellus has formed reciprocally in nature with resultant distinctive floral and inflorescence morphologies (i.e., short- vs. long-liguled forms). In this study, we performed comparative inflorescence transcriptome analyses of reciprocally formed T. miscellus and its diploid parents, T. dubius and T. pratensis. In both forms of T. miscellus, homeolog expression of ~70% of the loci showed vertical transmission of the parental expression patterns (i.e., parental legacy), and ~20% of the loci showed biased homeolog expression, which was unbalanced toward T. pratensis. However, 17.9% of orthologous pairs showed different homeolog expression patterns between the two forms of T. miscellus. No clear effect of cytonuclear interaction on biased expression of the maternal homeolog was found. In terms of the total expression level of the homeologs studied, 22.6% and 16.2% of the loci displayed non-additive expression in short- and long-liguled T. miscellus, respectively. Unbalanced expression level dominance toward T. pratensis was observed in both forms of T. miscellus. Significantly, genes annotated as being involved in pectin catabolic processes were highly expressed in long-liguled T. miscellus relative to the short-liguled form, and the majority of these differentially expressed genes were transgressively down-regulated in short-liguled T. miscellus. Given the known role of these genes in cell expansion, they may play a role in the differing floral and inflorescence morphologies of the two forms. In summary, the overall inflorescence transcriptome profiles are highly similar between reciprocal origins of T. miscellus. However, the dynamic homeolog-specific expression and non-additive expression patterns observed in T. miscellus emphasize the importance of reciprocal origins in promoting the genetic diversity of polyploids.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Vortex Flow and Cavitation in Liquid Injection: A Comparison between High-Fidelity CFD Simulations and Experimental Visualizations on Transparent Nozzle Replicas

Experimental instantaneous shadowgraph visualizations on transparent glass nozzle replicas of high-pressure fuel injectors have been used to validate a novel in-house high-fidelity LES-VOF multiphase solver, to study the evolution of vortex flow and fuel cavitation. Both experiments and simulations capture the formation of an unsteady vapor structure inside the nozzle volume, which is referred to as 'string-cavitation'; strings are found at the core of the recirculation zones. Furthermore, high-fidelity simulations provide a very detailed insight into the vortex generation in the injector nozzle; strings appear within the time scales that are relevant for fast injection events (on the order of 0.1 milliseconds) and, for the problem under consideration, their generation seems mostly related to the flow pattern in the sac. It is also shown that vortexes interact, merge till they disrupt and favor the temporary inception of shear cavitation.

3-phase LES-VOF solver↗
DOE OSTI2020

Poling thin-film x-cut lithium niobate for quasi-phase matching with sub-micrometer periodicity

Quasi-phase-matched grating structures in lithium niobate waveguides with sub-micrometer periodicities will benefit the development of short-wavelength nonlinear optical devices. Here, we report on the reproducible formation of periodically poled domains in x-cut single-crystalline thin-film lithium niobate with periodicities as short as 600 nm. Shaped single-voltage poling pulses were applied to electrode structures that were fabricated by a combination of electron-beam and direct-writing laser lithography. Evidence of successful poling with good quality was obtained through second-harmonic microscopy and piezoresponse force microscopy imaging. For the sub-micrometer period structures, we observed patterns with a double periodicity formed by domain interactions and features with sizes <200 nm.

Zhao, Jie (ORCID:0000000306230125)↗
DOE OSTI2022

The Complexity and Challenges of Irradiation-Induced Phase Instability Phenomenon in Nuclear Power Plant Components

High energy irradiation by neutrons or ions of metastable austenitic 300-series steels appears to initiate formation of bcc-phases with different morphology and elemental composition compared to that of retained ferrite. Extensive formation of specific Fe-rich ferrite was observed on the grain boundaries of annealed Russian steel 12Cr18Ni10Ti, an analog of AISI 321, after irradiation in the center-core region of sodium-cooled BN-350 fast reactor (SFR) doses up to 57 dpa at ~1×10-6dpa/sec. The ferrite fraction determined from scanning electron microscopy (SEM) closely matched the magnetic fraction determined using a ferritscope confirmed by X-ray diffraction analysis and selected area diffraction patterns. Chemical composition of the secondary phases was determined by energy dispersive X-ray analysis using transmission electron microscope, showing Fe-rich ferrite domains. Fe-ion irradiation (2.3 MeV) was used to study the accumulation of ferrite and martensite phases at higher dpa rates. The very high etchability of these ferrite particles in alcohol-based solutions may signal a very high etching in hot water, leading to accelerated intergranular cracking, especially upon long-term exposure during extended plant lifetimes.

D a, Merezhko↗
DOE OSTI2020

Installation Assignment Durations and Patterns of Army Personnel

The purpose of this document is to report on the development of personnel assignment duration statistical metrics and statistical descriptions for groups of Army personnel aggregated by rank, career management field, and other descriptors for 32 Continental United States (CONUS) Army installations. This information can be used for generating evidence-based measures of personnel exposure times associated with environmental health considerations at the installation and career management field levels. Assignment duration statistical descriptions were developed to provide temporal metrics for groups of personnel at Army installations as foundational data to support a variety of assessments. Statistical results of personnel assignment durations at the installation level are provided in several formats. The 50th percentile assignment duration represents the median number of days personnel in groups aggregated by rank and career management field spend at the 32 CONUS Army installations in this study. Likewise, other duration percentiles (90th) and quartiles of assignment durations for groups aggregated by rank and career management field spend at each installation were developed. Assignment path analysis provide statistical descriptions of assignment durations at Army installations throughout increments of time (e.g., 5 years, 10 years). Key groupings of assignment paths were achieved by analyzing the duration of assignments at installations in chronological order from entry throughout specified increments of military service to generate the most common assignment paths across the 32 CONUS Army installations in this study. The developed assignment duration analytics and duration statistical descriptions provide foundational temporal metrics for groups of personnel at 32 CONUS Army installations to support a variety of assessments including those by human resource planners and environmental health specialists.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals

Abstract Despite the large number of reports on colloidal nanocrystals, very little is known about the mechanistic details in terms of nucleation and growth at the atomistic level. Taking bimetallic core-shell nanocrystals as an example, here we integrate in situ liquid-cell transmission electron microscopy with first-principles calculations to shed light on the atomistic details involved in the nucleation and growth of Pt on Pd cubic seeds. We elucidate the roles played by key synthesis parameters, including capping agent and precursor concentration, in controlling the nucleation site, diffusion path, and growth pattern of the Pt atoms. When the faces of a cubic seed are capped by Br − , Pt atoms preferentially nucleate from corners and then diffuse to edges and faces for the creation of a uniform shell. The diffusion does not occur until the Pt deposited at the corner has reached a threshold thickness. At a high concentration of the precursor, self-nucleation takes place and the Pt clusters then randomly attach to the surface of a seed for the formation of a non-uniform shell. These atomistic insights offer a general guideline for the rational synthesis of nanocrystals with diverse compositions, structures, shapes, and related properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Direct-write laser-assisted patterning of form birefringence in wave plates fabricated by glancing-angle deposition

The development of optics that provide spatial control of birefringence could enable better control of laser beam polarization, but available solutions are limited. Here we demonstrate a method to locally modify the birefringence of wave plates fabricated by glancing-angle deposition. The method employs localized melting of the anisotropic microstructure in a vacuum environment to alter the local birefringence. We demonstrate that this process is only possible under high vacuum to avoid trapping air within the melt zone. The direct-write method presented here can be readily utilized for coatings exhibiting form birefringence of virtually any chemical composition, size, and format.

42 ENGINEERING↗
DOE OSTI2020

Molecular beam epitaxy of the magnetic Kagome metal FeSn on LaAlO 3 (111)

Materials with Kagome layers are expected to give rise to rich physics arising from band structures with topological properties, spin liquid behavior, and the formation of Skyrmions. Until now, most work on Kagome materials has been performed on bulk samples due to difficulties in thin film synthesis. Here, by using molecular beam epitaxy, layered Kagome-structured FeSn films are synthesized on the (111) oriented LaAlO3 substrate. Both in situ and ex situ characterizations indicate that these films are highly crystalline and c-axis oriented, with atomically smooth surfaces. The films grow as disconnected islands, with lateral dimensions on the micron meter scale. By patterning Pt electrodes using a focused electron beam, the longitudinal and transverse resistance of single islands have been measured in magnetic fields. Our work opens a pathway for exploring mesoscale transport properties in thin films of Kagome materials and related devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interface-Driven Chiral Magnetism in Ultrathin Metallic Ferromagnets: Towards Skyrmion Spintronics

Magnetic skyrmions are localized chiral magnetic textures in the form of nanoscale vortices or bubbles that are topologically protected from being ‘unwound’. Their topological nature gives rise to rich behaviors including ordered lattice formation, emergent electrodynamics and robust current-driven displacement at remarkably low current densities. However, magnetic skyrmions have so far been restricted to just a few materials and observed only at low temperatures, limiting the experimental accessibility and technological application of these unique topological objects. This project aimed to realize magnetic skyrmions at room temperature in a new class of engineered chiral ferromagnets that exploit broken mirror symmetry at interfaces to generate helical magnetic order. Ultrathin magnetic heterostructures were engineered and patterned into laterally-confined nanostructures in which skyrmions were stabilized, manipulated, and detected for the first time under ambient conditions. Static and dynamic properties were examined using advanced x-ray imaging to provide a fundamental understanding of topological magnetic phases. The interactions between magnetic skyrmions and electron charge and spin currents were studied to identify fundamental new physics and enable device applications. These experimental studies, supported by detailed modeling, will help launch a new subfield of skyrmion-based spintronics in which individual skyrmions can be used to encode, store, and transport information in high-performance, low power memory and logic devices.

36 MATERIALS SCIENCE↗
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↗
DOE OSTI2025

EVs@Scale Next-Gen Profiles - Fleet Utilization 2024

As part of the U.S. Department of Energy’s EVs@Scale initiative, the Next-Gen Profiles (NGP) project provides a comprehensive, data-driven analysis of electric vehicle (EV) and electric vehicle supply equipment (EVSE) operations across real-world fleet deployments. This paper presents findings from the NGP’s Fleet Utilization study, which investigates operational behavior and asset usage across seventeen EV fleets and two EVSE fleets, encompassing a wide range of vehicle types and use cases. Data collected from diverse sources—varying in format and temporal resolution—are first reformatted into a unified structure. From this harmonized dataset, a suite of rigorously defined performance metrics is calculated at an hourly cadence, enabling consistent cross-comparison of charging, routing, and other key operational behaviors. Amid rapidly increasing EV adoption and growing demands for energy-efficient fleet operations, the analysis reveals clear utilization trends—including diurnal and weekly activity cycles, differences in short versus long charging session dependencies, and route-specific energy usage patterns. These findings highlight the need for tailored infrastructure strategies and the deployment of advanced energy management systems, such as Distributed Energy Resource Management Systems (DERMS) and Site Energy Management Systems (SEMS), which can optimize charging schedules and mitigate peak loads. By leveraging anonymized, harmonized datasets and standardized metrics, this study offers critical insights into fleet behavior and performance, providing a foundation to improve operational efficiency, reduce costs, and enable the scalable deployment of electrified transportation.

Wells, Landon↗
DOE OSTI2024

Simulations of n -dodecane/oxygen/nitrogen cellular detonations

In this work, two-dimensional n-dodecane/air/nitrogen cellular detonations are simulated with various equivalence ratios (ERs). A skeletal mechanism consisting of 54 species and 269 reactions is used. The lower and upper equivalence ratio boundaries for self-sustained detonation are 0.3 and 2.2, respectively. Detonation with different regimes characterized by the detonation cell patterns is observed, which aligns well with the category based on the stability parameter, i.e., weakly and highly unstable detonations, and extinction. Further, in terms of the frontal structure, non-negligible effect of diffusion on the cellular detonation is revealed, especially in the vicinity of the leading shock front. In highly unstable and quenched detonations, the alternation in reaction pathway within the induction zone accounts for the changes of detonation dynamics, such as the absence or extended sequence of important radical formation, e.g., OH. In addition, the composition of the unburned pockets depends on both pocket location from the leading shock front and the ER in the fresh mixture, because the former determines the residence time, whilst the latter affects the pocket reaction rate.

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

Vortex Ordering and Dynamics of Santa Fe Artificial Ice Pinning Arrays

We numerically examine the ordering, pinning, and flow of superconducting vortices interacting with a Santa Fe artificial ice pinning array. We find that as a function of magnetic field and pinning density, a wide variety of vortex states occur, including ice rule obeying states and labyrinthine patterns. In contrast to square pinning arrays, we find no sharp peaks in the critical current due to the inherent frustration effect imposed by the Santa Fe ice geometry; however, there are some smoothed peaks when the number of vortices matches the number of pinning sites. For some fillings, the Santa Fe array exhibits stronger pinning than the square array due to the suppression of one-dimensional flow channels when the vortex motion in the Santa Fe lattice occurs through the formation of both longitudinal and transverse flow channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

PhaseGAN: a deep-learning phase-retrieval approach for unpaired datasets

Phase retrieval approaches based on deep learning (DL) provide a framework to obtain phase information from an intensity hologram or diffraction pattern in a robust manner and in real-time. However, current DL architectures applied to the phase problem rely on i) paired datasets, i. e., they arc only applicable when a satisfactory solution of the phase problem has been found, and ii) the fact that most of them ignore the physics of the imaging process. Here, we present PhaseGAN, a new DL approach based on Generative Adversarial Networks, which allows the use of unpaired datasets and includes the physics of image formation. The performance of our approach is enhanced by including the image formation physics and a novel Fourier loss function, providing phase reconstructions when conventional phase retrieval algorithms fail, such as ultra-fast experiments. Thus, PhaseGAN offers the opportunity to address the phase problem in real-time when no phase reconstructions but good simulations or data from other experiments are available.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Advanced Computing, Data Science, and Artificial Intelligence Research Opportunities for Energy-Focused Transportation Science

The Energy Efficient Mobility Systems (EEMS) technology landscape is complex and rapidly evolving, which provides both tremendous opportunities and formidable challenges. Significant alterations to the mobility landscape are underway due to the advent of vehicle and infrastructure connectivity, autonomous driving, and rapid passenger- and freight-vehicle electrification. Advanced computing will play an increasingly important role in enabling the EEMS program to understand and identify the most important levers to improve the energy productivity of future integrated mobility systems. It is also driving new approaches to mobility and the research to unlock an affordable, efficient, safe, and accessible transportation future. Driving much of this change is the collection, analysis, and strategic use of massive amounts of diverse, complex data from infrastructure and vehicles with on-board sensors and data storage and transmission capabilities. Diverse and representative data are key to implementing approaches to maximize mobility energy productivity. While high-fidelity modeling of integrated transportation networks has strengthened our understanding of dynamic movement and behavior patterns, existing tools must be expanded beyond their current focus. This work necessitates data infrastructure investments (e.g., secure-streaming data platforms driven by ubiquitous sensors and video analytics) as well as investments in critical capabilities for large-scale automated analysis and organization using modern machine learning, statistics, and artificial intelligence. Other chief needs include agile, large-scale storage that can be quickly searched and queried for relevant data to support validation and model development, data-sharing agreements, and formatting standards for key data types. The future of public transit must be explored in greater detail, research must inform design, and opportunities must be identified for improving the mobility productivity of public transit in both urban and rural America.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Texture and precipitation behavior of friction stir welded Inconel 825 alloy

The microstructure, texture pattern, and precipitation behavior of friction stir butt welded Inconel 825 alloy are highlighted here. The microstructure of bright regions and black-banded regions in the stir zone (SZ) is characterized by SEM, EBSD, and TEM with EDS. EBSD analysis justifies that the SZ exhibits a dynamic recrystallized structure. Grain boundary mapping corroborates the insignificant difference in the low- and high-angle grain boundaries fraction between the SZ, the thermo-mechanically affected zone, and the base metal. TEM analysis confirms the formation of nano twins and dispersion of nano-size precipitations in the grains, and at the grain boundaries as well. Grain refinement and nano-size precipitation formation in the SZ significantly enhanced both microhardness and tensile strength.

Das, Hrishikesh↗