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DOE OSTI2022

Relativistic Coulomb screening in pulsational pair instability supernovae

Pulsational pair-instability supernovae (PPISNe) and pair instability supernovae (PISNe) are the result of a thermonuclear runaway in the presence of a background electron-positron pair plasma. As such, their evolution and resultant black hole masses could possibly be affected by screening corrections due to the electron pair plasma. The sensitivity of PISNe and PPISNe to relativistic weak screening has been explored. In this paper a weak screening model that includes effects from relativistic pair production has been developed and applied at temperatures approaching and exceeding the threshold for pair production. This screening model replaces “classical” screening commonly used in astrophysics. Modifications to the weak screening electron Debye length were incorporated in a computationally tractable analytic form. In PPISNe the BH masses were found to increase somewhat at high temperatures, though this increase is small. The BH collapse is also found to occur at earlier times, and the pulsational morphology also changes. In addition to the resultant BH mass, the sensitivity to the screening model of the pulsational period, the pulse structure, the PPISN-to-PISN transition, and the shift in the BH mass gap has been analyzed. The dependence of the composition of the ejected mass was also examined.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Nucleosynthetic Analysis of Three-dimensional Core-collapse Supernova Simulations

Abstract We study in detail the ejecta conditions and theoretical nucleosynthetic results for 18 three-dimensional core-collapse supernova (CCSN) simulations done by F ornax . Most of the simulations are carried out to at least 3 s after bounce, which allows us to follow their longer-term behaviors. We find that multidimensional effects introduce many complexities into the ejecta conditions. We see a stochastic electron fraction evolution, complex peak temperature distributions and histories, and long-tail distributions of the time spent within nucleosynthetic temperature ranges. These all lead to substantial variation in CCSN nucleosynthetic yields and differences from 1D results. We discuss the production of lighter α -nuclei, radioactive isotopes, heavier elements, and a few isotopes of special interest. Comparing pre-CCSN and CCSN contributions, we find that a significant fraction of elements between roughly Si and Ge are generally produced in CCSNe. We find that 44 Ti exhibits an extended production timescale as compared to 56 Ni, which may explain its different distribution and higher than previously predicted abundances in supernova remnants such as Cas A and SN1987A. We also discuss the morphology of the ejected elements. This study highlights the high-level diversity of ejecta conditions and nucleosynthetic results in 3D CCSN simulations and emphasizes the need for additional long-term (∼10 s) 3D simulations to properly address such complexities.

Astronomy & Astrophysics↗

DOE OSTI2021

Investigation of δ zirconium hydride morphology in a single crystal using quantitative phase field simulations supported by experiments

In light water nuclear reactors, waterside corrosion of the cladding material leads to the production of hydrogen, a fraction of which is picked up by the zirconium cladding and precipitates into brittle hydride particles. These nanoscale hydride particles aggregate into mesoscale hydride clusters. The principal stacking direction of the nanoscale hydrides precipitated in the cladding tube changes from circumferential in the absence of applied stress to radial under circumferential applied stress. A quantitative phase field model has been developed to predict the hydride morphology observed experimentally and identify the mechanisms responsible for nanoscale hydride stacking. The model focuses on nanoscale hydride precipitation in a single zirconium grain with a detailed description of the anisotropic elastic contribution. The model predictions concerning the shape, orientation, and stacking behavior of nanoscale hydride are analyzed and compared with experimental observations. The model accurately accounts for the experimentally observed elongated nanoscale hydride shape and the stacking of hydrides along the basal plane of the hexagonal zirconium matrix. When investigating the role of applied stress in hydride morphology, the model challenges some of the mechanisms previously proposed to explain hydride reorientation. Finally, although hydride reorientation has been hypothesized to be caused by a change in nanoscale hydride shape, the current study shows that these mechanisms are unlikely to occur.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2005

Lunar and Planetary Science XXXVI, Part 16

Contents include the folowing: Experimental Study of Fe-, Co- and Ni-partitioning Between Forsterite and low-Co Fe,Ni-Alloys: Implications for Formation of Olivine Condensates in Equilibrium with Primitive Metal. Channels and Fan-like Features on Titan Surface Imaged by the Cassini RADAR. The Oxygen Isotope Similarity of the Earth and Moon: Source Region or Formation Process? The Mn-53-Cr-53 System in CAIs: An Update. Comparative Planetary Mineralogy: Valence State Partitioning of Cr, Fe, Ti, and V Among Crystallographic Sites in Olivine, Pyroxene, and Spinel from Planetary Basalts. CAI Thermal History Constraints from Spinel: Ti Zoning Profiles and Melilite Boundary Clinopyroxenes. Noble Gas Study of New Enstatite SaU 290 with High Solar Gases. A Marine Origin for the Meridiani Planum Landing Site? A Mechanism for the Formation and Evolution of Tharsis as a Consequence of Mantle Overturn: Large Scale Lateral Heterogeneity in a Stably Stratified Mantle. Endolithic Colonization of Fluid Inclusion Trails in Mineral Grains. Microbial Preservation in Sulfates in the Haughton Impact Structure Suggests Target in Search for Life on Mars. Ascraeus Mons Fan-shaped Deposit, Mars: Geological History and Volcano-Ice Interactions of a Cold-based Glacier. Weathering Pits in the Antarctic Dry Valleys: Insolation-induced Heating and Melting, and Applications to Mars. Mineralogy and Petrography of Lunar Mare Regolith Breccia Meteorite MET 01-210. Geological Mapping of Ganymede. A Quantitative Analysis of Plate Motion on Europa: Implications for the Role of Rigid vs. Nonrigid Behavior of the Lithosphere. Comparison of Terrestrial Morphology, Ejecta, and Sediment Transport of Small Craters: Volcanic and Impact Analogs to Mars. An Integrated Study of OMEGA-Identified Mineral Deposits in Eastern Hebes Chasma, Mars. Global Spectral and Compositional Diversity of Mars: A Test of CRISM Global Mapping with Mars Express OMEGA Data. On Origin of Sedna. Processing ISS Images of Titan s Surface. LA-ICP-MS Study of Trace Elements in the Chaunskij Metal.

Source record↗

DOE OSTI2024

Hardenability and microstructural evolution of a precipitation strengthened Ni 50 Ti 21 Hf 25 Al 4 alloy

NiTi-based quaternary alloys are used in a variety of mechanical components, such as bearings, actuators, and dampers, owing to their good hardenability, wear resistance, and corrosion resistance. Additionally, one of the most notable characteristics of NiTi-based alloys is their shape memory effect and pseudoelastic properties. Connecting the macroscopic processing parameters employed in the design of new intermetallic alloys to the nanoscale structural characteristics dictating their behavior is crucial for improving their mechanical properties and expanding the spectrum of potential applications. Here, in this work, an arc melted Ni 50 Ti 21 Hf 25 Al 4 (at%) alloy was solution treated at 1050 °C followed by quenching and aging at 600 °C to investigate the effect of aging time on the microstructure and mechanical properties. Two types of nano-sized precipitates were observed and determined as face-centered orthorhombic H-phase (TiHf)Ni and L2 1 Heusler precipitates Ni 2 TiAl. The morphology and orientation of the H-phase were investigated using scanning and transmission electron microscopy (SEM and TEM), elucidating the coarsening kinetics and strengthening contribution of that phase to the intermetallic mechanical behavior. Following coarsening, the presence of Heusler nanoprecipitates was detected under overaged conditions through TEM imaging and nanobeam electron diffraction patterns. A peak hardness condition of 756 HV was achieved after 70 h of aging, indicating that the co-precipitation of H-phase and Heusler precipitates through a well-designed aging treatment can lead to optimal mechanical performance, thus elevating the alloy’s potential as a viable material for industrial applications.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Scan‐Path‐ and Initial‐State‐Dependent Superdomain Switching in (111)‐Oriented PZT

Polarization switching in ferroelectric materials arises from the collective evolution of complex domain hierarchies, yet deterministic control over these processes remains challenging. Here, we investigate scan-path- and initial-state-dependent switching in epitaxial (111)-oriented PbZr 0.2 Ti 0.8 O 3 thin films using automated AFM-based writing combined with quantitative 3D piezoresponse force microscopy. We show that the scan trajectory acts as an experimentally accessible control parameter for superdomain formation. Box-in-box raster scans reproducibly stabilize ordered stripe superdomains with a reduced subset of symmetry-allowed variants, whereas spiral trajectories generate frustrated mixed-variant states with a broader distribution of final microstructures. Automated pulsing experiments further show that the local superdomain configuration at the nucleation site strongly influences the final written morphology. Phase-field modeling qualitatively reproduces the contrast between representative initial-state geometries and supports the role of compatibility constraints among competing ferroelastic pathways. These findings establish scan-path and initial-state engineering as practical handles to program ferroic order in hierarchical ferroelectric domain structures.

Vasudevan, Rama K. [Oak Ridge National Laboratory ↗

NASA NTRS2012

The Kinematic and Microphysical Control of Storm Integrated Lightning Flash Extent

The objective of this preliminary study is to investigate the kinematic and microphysical control of lightning properties, particularly those that may govern the production of nitrogen oxides (NOx) in thunderstorms, such as flash rate, type and extent. The mixed-phase region is where the noninductive charging (NIC) process is thought to generate most storm electrification during rebounding collisions between ice particles in the presence of supercooled water. As a result, prior radar-based studies have demonstrated that lightning flash rate is well correlated to kinematic and microphysical properties in the mixed-phase region of thunderstorms such as updraft volume, graupel mass, or ice mass flux. There is also some evidence that lightning type is associated with the convective state. Intracloud (IC) lightning tends to dominate during the updraft accumulation of precipitation ice mass while cloud-to-ground (CG) lightning is more numerous during the downdraft-driven descent of radar echo associated with graupel and hail. More study is required to generalize these relationships, especially regarding lightning type, in a wide variety of storm modes and meteorological conditions. Less is known about the co-evolving relationship between storm kinematics, microphysics, morphology and three-dimensional flash extent, despite its importance for lightning NOx production. To address this conceptual gap, the NASA MSFC Lightning Nitrogen Oxides Model (LNOM) is applied to North Alabama Lightning Mapping Array (NALMA) and Vaisala National Lightning Detection NetworkTM (NLDN) observations following ordinary convective cells through their lifecycle. LNOM provides estimates of flash type, channel length distributions, lightning segment altitude distributions (SADs) and lightning NOx production profiles. For this study, LNOM is applied in a Lagrangian sense to well isolated convective cells on 3 April 2007 (single cell and multi-cell hailstorm, non-severe multicell) and 6 July 2007 (non-severe multi-cell) over Northern Alabama. The LNOM lightning characteristics are compared to the evolution of updraft and precipitation properties inferred from dual-Doppler and polarimetric radar analyses applied to observations from a nearby Doppler radar network, including the UA Huntsville Advanced Radar for Meteorological and Operational Research (ARMOR, C-band, polarimetric). The LNOM estimated SAD and lightning NOx production profiles are placed in the context of radar derived profiles of vertical motion, precipitation types and amounts. Finally, these analyses are used to determine if storm integrated flash channel extent is as well correlated to volumetric updraft and precipitation ice characteristics in the mixed phase region as flash rate for these individual convective cells.

Carey, Lawrence↗

NASA NTRS1993

Simulations of Deep Galaxy Fields I: Monte-Carlo Simulations of Optical and Near Infrared Counts

Monte-Carlo simulations of three dimensional galaxy distributions are performed, following the prescription of Chokishi & Wright (1988), to study the photometric properties of evolving galaxy populations in the optical and near infrared bands to high redshifts. Galaxies are spatially distributed according to the spatial two point correlation function in a range of cluster to field environments andin volume elements appropriate to the cosmological model under consideration. Details of individual galaxy properties, including luminosities, morphologies, disk-to-bulge ratios, and size distributions are simulated to match local observed galaxy properties. Galaxies have evolving gas fraction, metallicity and spectral energy distributions that include both stellar emission and internal dust absorption and re-emission. The simulations result in noiseless two dimensional galaxy distributions on the sky that canbe compared to the observed deep images in the blue and near-infrared bands...

faint↗

DOE OSTI2022

Dissecting Nearby Galaxies with piXedfit. II. Spatially Resolved Scaling Relations among Stars, Dust, and Gas

We study spatially resolved scaling relations among stars, dust, and gas in ten nearby spiral galaxies. In a preceding paper, we have derived spatially resolved properties of the stellar population and dust by a panchromatic spectral energy distribution fitting using piXedfit. Now, we investigate resolved star formation (${{\rm{\Sigma }}}_{{{\rm{H}}}_{2}}$–ΣSFR–Σ * ) and dust scaling relations. While the relations with all subgalactic regions of the galaxies are reasonably tight (σ ≲ 0.3 dex), we find that most of the scaling relations exhibit galaxy-to-galaxy variations in normalization and shape. Only two relations of Σdust–Σgas and Σdust–${{\rm{\Sigma }}}_{{{\rm{H}}}_{2}}$ do not show noticeable galaxy-to-galaxy variations among our sample galaxies. We further investigate the correlations among the scaling relations. We find significant correlations among the normalization of the ${{\rm{\Sigma }}}_{{{\rm{H}}}_{2}}$–ΣSFR–Σ * relations, which suggest that the galaxies with higher levels of resolved H 2 fraction (${f}_{{{\rm{H}}}_{2}}$) tend to have higher levels of resolved star formation efficiency (SFE) and specific star formation rate (sSFR). We also observe that the galaxies with higher levels of resolved dust-to-stellar mass ratios tend to have higher levels of resolved sSFR, SFE, and ${f}_{{{\rm{H}}}_{2}}$. Moreover, we find that the galaxies with higher global sSFR and less compact morphology tend to have higher levels of the resolved sSFR, SFE, and ${f}_{{{\rm{H}}}_{2}}$, which can explain the variations in the normalization of the ${{\rm{\Sigma }}}_{{{\rm{H}}}_{2}}$–ΣSFR–Σ * relationships. Overall, we observe indications of the contributions of both global and local factors in governing the star formation process in galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Microstructure evolution in U-10Zr alloy irradiated by swift Xe ions at 700 °C

The post-irradiation examination (PIE) results of U-10Zr binary metallic fuel that was irradiated by 84 MeV Xe ions at 700 °C are reported here. The U-10Zr specimen was synthesized by homogenizing elemental U and Zr powders through arc-melting. The as-fabricated U-10Zr was dominated by the sub-micron acicular α+ δ phase. After being irradiated by 84 MeV Xe ions at 700 °C up to 2.19 ×10 17 ions/cm 2 fluence, the U-10Zr was speculated to evolve into micro-scale γ 1 + γ 2 phases as predicted by the U-Zr phase diagram. During post-irradiation cooling, the U-rich γ 1 phase was mainly transformed to the αphase, while the Zr-rich γ 2 phase was partially retained along with formation of hexagonal structure phase (δ or ω). Xe bubbles formed in the γ 1 and γ 2 phases have salient different morphologies, implying faster Xe diffusion in the γ 1 phase than the γ 2 phase. The quantitative bubble morphology data collected in this study can provide valuable references for the development and validation of fuel performance models for this fuel.

36 MATERIALS SCIENCE↗

NASA NTRS2012

Volcanic or Fluvial Channels on Ascraeus Mons: Focus on the Source Area of Sinuous Channels on the Southeast Rift Apron

Deciphering the Mars water history is important to understanding the planet's geological evolution and whether it could have sustained life. Channel features on Mars, such as the features documented in Kasei Valles, are generally accepted as evidence for water flowing over the Mars surface in the past [1]. However, not all channels are the product of fluvial processes and many can be interpreted as having a volcanic origin [2]. This research involves studying channel features on the flanks of the Ascraeus Mons volcano, which is a part of the Tharsis province. Numerous sinuous channels exist on the rift apron of Ascraeus Mons and they have been interpreted as either fluvial [3] or volcanic [4,5]. The channels originate from pits and linear depressions and extend for many 100 s of km downslope. Mapping the proximal to distal morphology of the complete channel and determining its relationship with other features on the apron provides evidence for the processes of formation and their relative temporal relationships. This study focused on sinuous channels located on the south-east part of the Ascraeus rift apron (Fig. 1). Observations of possible analogous features on Hawaii are used to provide insights into the processes of formation of the Mars features.

Signorella, Julia D.↗

NASA NTRS1994

Mass loss during the RR Lyrae phase of the horizontal branch: Mass dispersion on the horizontal branch and RR Lyrae period changes

Mass loss on the horizontal branch has been invoked in the literature to explain such phenomena as the color (mass) dispersion of the horizontal branch and the observed distribution of period changes in RR Lyrae stars. To test these claims, the Yale stellar evolution code was used to evolve horizontal branch models of masses 0.64, 0.66, 0.68, 0.70, and 0.72 solar mass with Z of 0.001, core mass of 0.4893, main-sequence helium abundance of 0.23, and constant mass loss rates of 0, 10(exp -10), 5 x 10(exp -10), and 10(exp -9) solar mass/yr. Mass loss was assumed to occur only in the instability strip, where a mechanism is most likely to exist. Synthetic horizontal branches, constructed from the models, show that mass loss on the horizontal branch cannot produce the observed color dispersion even for the highest mass-loss rate of 10(exp -9) solar mass/yr. Mass loss is unlikely to occur at a higher rate without significant effects on the horizontal branch morphology, which would destroy the good agreement between standard synthetic models without mass loss and observed horizontal branches. Periods and period changes were calculated for all models. The period changes are not significantly larger for models with mass loss. The effect of mass loss in clusters of other metallicities is discussed.

Koopmann, Rebecca A.↗

NASA NTRS2015

Noctis Landing: A Proposed Landing Site/Exploration Zone for Human Missions to the Surface of Mars

The proposed Noctis Landing Site/Exploration Zone (LS/EZ) is shown in Figure 1. Our preliminary study suggests that the proposed site meets all key Science and Resources (incl. Civil Engineering) requirements. The site is of significant interest, as the EZ not only offers a large number and wide range of regions of interest (ROIs) for short-term exploration, it is also located strategically at the crossroads between Tharsis and Valles Marineris, which are key for long-term exploration. The proposed site contains Regions of Interest (ROIs) that meet the following Science requirements: -‐ Access to (1) deposits with a high preservation potential for evidence of past habitability and fossil biosignatures and (2) sites that are promising for present habitability. The site presents a wide variety of ROIs qith likely aqueous features and deposits, including sinous channels and valleys, slope gullies, lobate debris aprons, impact craters with lobate ejecta flows, and "bathtub ring" deposits. Neutron spectrometry also suggests hydrogen is present within the topmost 0.3 m or so of 4 to 10 wt% WEH (Water Equivalent Hydrogen). -‐ Noachian and/or Hesperian rocks in a stratigraphic context that have a high likelihood of containing trapped atmospheric gases. Collapsed canyon rim material with preserved stratigraphy is abundantly present and accessible. -‐ Exposures of at least two crustal units that have regional or global extents, that are suitable for radiometric dating, and that have relative ages that sample a significant range of martian geological time. Canyons floors in Ius Chasma, Tithonium Chasma, and plateau tops on Tharsis and in Sinai Planum offer access to distinct crustal units of regional extent. -‐ Access to outcrops with linked morphological and/or geochemical signatures indicative of aqueous or groundwater/ mineral interactions. Iron and sulfur-bearing deposits on canyon floors in Noctis Labyrinthus, and in Ius Chasma (IC) and Tithonium Chasma (TC) offer many such outcrop options. -‐ Identifiable stratigraphic contacts and cross-cutting relationships from which relative ages can be determined. In place and collapsed canyon walls in NL, TC, and IC offer such opportunities. -‐ Other types of ROIs include access points to surrounding plateau top areas for longer term regional exploration. A key attribute of the proposed Noctic Landing site is its strategic location to allow the shortest possible surface excusions to Tharsis and Valles Marineris (VM). VM is the feature and region on Mars that exposes the longest record of Mars' geology and evolution through time. Tharsis is the region of Mars that has experienced the longest and most extensive volcanic history, and might still be volcanically active. Some of the youngest lava flows on Mars have been identified on the western flanks of the Tharsis Bulge, i.e., within driving range of future longrange (500 - 1000 km) pressurized rover traverses. The proposed site also contains ROIs that offer the following Resources (incl. Civil Engineering) characteristics: -‐ Access to raw material that exhibits the potential to (1) be used as feedstock for water-generating in situ resource utilization (ISRU) processes and (2) yield significant quantities (greater than 100 MT) of water. The raw material is likely in the form of hydrated minerals, and possibly ice/regolith mix. The top of the raw material deposit is at the surface. -‐ Access to a region where infrastructure can be emplaced or constructed. This region is less than 5 km from the LS and contains flat, stable terrain. The region exhibits evidence for an abundant source of loose regolith. Several deep pits in the area combined with the availability of sand suggests that some natural terrain features can be adapted for construction purposes. -‐ Access to raw material that exhibits the potential to be used as metal feedstock for ISRU and construction purposes. Iron and sulfur-rich mineral surface deposits have been identified in CRISM data in many locations in this area. Noctis Landing is the lowest-altitude location on Mars that straddles both the Tharsis region (above average geothermal gradients) and Valles Marineris (minimal crustal thickness from surface (valley floor) to a subsurface liquid water table. Noctis Landing has the potential for being an ideal site for eventual deep drilling on Mars to access deep subsurface liquid water and potentially encountering extant life. Available data remains insufficient to fully qualify the Noctis Landing site. Additional remote sensing data (visible, Near and Mid-IR, and radar) and surface reconnaissance via a high-mobility robotic rover are recommended. In particular, it will be important to assess the trafficability of the site, and its potential for yielding water and metals as a resource. Access to plateau tops from the Noctis Landing site on the canyon floor should be demonstrated. Future exploration of the site would also be enhanced significantly by the availability of robotic (tele-operatable) surveying and sample-collecting drones. Testing of the use of such collaborative science and exploration technologies should be conducted at terrestrial sites such as the Haughton-Mars Project site on Devon Island, High Arctic, among others. Note: Noctis Landing is not an official Mars nomenclature name for this location. Because the area of the proposed LS/EZ had no name, and because it is close to Noctis Labyrinthus to the West while being distinct from it, the provisional name Noctis Landing is proposed. Noctis means night in Latin.

Lee, Pascal↗

DOE OSTI2026

Charge accumulation and solvation in $β$-NiOOH: Surface chemistry of an OER catalyst from ML-aided simulations

Electrochemical water splitting is a key technology for a sustainable energy transition, providing a route to store surplus electricity from renewable sources. A central bottleneck is the sluggish oxygen evolution reaction (OER), which drives the search for catalysts that are active, stable, and inexpensive enough for large-scale deployment. Within this context, pure and doped NiO x H y combine high activity with low cost, making them prime candidates for alkaline OER. Yet, despite extensive study, the atomistic structure of NiOOH under operando conditions and the associated reaction mechanisms remain debated. Here, we investigate the structural complexity of pure β-NiOOH, the scaffold for its doped derivatives. We systematically investigate the oxidation of the surface adsorbates via proton-coupled electron transfer steps across relevant facets and sites, identifying the most probable sequence of deprotonation events. Our results reveal asymmetric charge accumulation on Wulff-relevant surfaces and show how applied potential can promote morphological restructuring. Explicit solvation is included through machine-learning interatomic potential molecular dynamics of the NiOOH/water interface, which allows us to resolve the hydrophobic and hydrophilic character of different surfaces and the associated interfacial water structure. Together, these insights demonstrate how surface chemistry and solvation jointly govern the stability of NiOOH and the accumulation of surface charge, with possible implications for catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Implementation of disruptive designs for gas turbine components using direct energy deposition additive manufacturing

This research aims to develop a framework for establishing the correlation between in-situ monitoring data, process parameters, and microstructure evolution in blown-powder laser-directed energy deposition (DED) additive manufacturing (AM). To achieve this, a comprehensive manufacturing framework has been developed, spanning from in-situ data acquisition, melt-pool simulation, microstructure modeling, and statistical microstructure quantification. A machine learning-based surrogate model is constructed to predict melt pool geometry directly from in-situ coaxial camera data. The surrogate model is trained using outputs from a high-fidelity melt pool simulation, which provides accurate melt pool dimension data under varying process conditions. The predicted melt pool geometry is then used as input to a microstructure model to predict microstructural features. To rigorously compare and analyze microstructures, the project introduces statistical metrics that quantify differences based on key features such as morphology and texture. Microstructures are represented using advanced statistical descriptors including angular chord length distribution, two-point spatial statistics, orientation distribution function, and global spherical harmonic. These representations are used to compute four distinct “dissimilarity scores” that quantitatively capture differences in texture and morphology. This framework is demonstrated to enable automated calibration of simulation parameters by minimizing discrepancies between simulated and target microstructures. The technology developed in this project enables direct correlation between in-situ monitoring data and resulting microstructure, paving the way for adaptive microstructure control in metal AM. This capability strengthens the connection between process parameters and final material properties, facilitating more precise and reliable material design.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Automated phase segmentation and quantification of high-resolution TEM image for alloy design

In the alloy design and development process, a wealth of atomically resolved structural high-resolution transmission electron microscopy (HRTEM) images are produced. Identifying the different nano-precipitate phases and tracking their evolution under various compositions and during manufacturing or post-processing requires hundreds of HRTEM images and thousands of precipitates. The nanoscopic phase information labeling and analysis purely relies on humans are prohibitively costly and time-consuming, sometimes not reliable because of the lack of authoritative knowledge. Here, in this work, we develop a novel unsupervised machine learning approach coupled with adaptive computer vision techniques with features in the Fourier space to automatically determine the number of phases and segment/quantify the phases with nanoscale resolution, allowing for quantitative correlation between nanostructure formation, processing and functional properties. To automate the phase extraction/quantification and ascertain its applicability, we have applied the developed framework to the HRTEM images from several alloy systems, processing conditions, image magnifications, and phase types and morphologies (precipitates, nano-twins, stacking faults, crystalline matrix, and amorphous structures) for verification. This study paves the road for compression, visualization, and translation of raw image structural data into physically relevant information in real-time with minimal human supervision. It shows the promise of enabling high-throughput materials characterization for the acceleration of alloy manufacturing and design.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Radiation and Polarization Signatures from Magnetic Reconnection in Relativistic Jets. I. A Systematic Study

Blazars are relativistic magnetized plasma outflows from supermassive black holes that point very close to our line of sight. Their emission is nonthermal-dominated and highly variable across the entire electromagnetic spectrum. Relativistic magnetic reconnection has been proposed as the driver of particle acceleration during blazar flares. While recent particle-in-cell (PIC) simulations have self-consistently studied the evolution of magnetic reconnection and particle acceleration therein, the resulting radiation signatures have not been systematically explored. In particular, the polarization signatures, which directly reflect the characteristic strongly dynamical evolution of magnetic field during reconnection, have not been carefully investigated. In this paper, we present a systematic study of radiation and polarization signatures arising from magnetic reconnection in blazars, based on combined PIC and polarized radiation transfer simulations with various physical parameters. We identify a harder-when-brighter trend in the spectral evolution. Moreover, higher-frequency bands (ultraviolet to X-ray) tend to flare earlier than lower-frequency bands (infrared to optical) in the synchrotron spectral component. Most importantly, polarization signatures appear more variable with higher frequencies. We find that the variation in temporal polarization depends strongly on the guide field strength. Specifically, reconnection with a significant guide field component leads to a very high polarization degree that contradicts typical blazar observations, while large polarization angle rotations are unique signatures of magnetic reconnection between nearly antiparallel magnetic field lines. These rotations are at least 90° and can extend to >180°, and they may be in either direction. Furthermore, these results imply that blazars that have shown large polarization angle rotations intrinsically have more nearly antiparallel magnetic field morphology.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

Idea Evolution ... What's Next?

No research project lasts forever. Even the most wildly successful programs will eventually come to an end. The challenge in that moment, when a project ends, is how to take what was learned in that project and apply it to the next research activity you undertake. Although not always possible, information and insights from a project that is underway or coming to a close can be leveraged to identify a new research direction and advance existing tangentially related activities. In this presentation, a common thread will be followed through a series of sequential research projects where lessons learned in each activity were built into the next enabling each new research project to advance further and faster. Initial research focused on lunar dust adhesion mitigation coalesced into two major contributors to adhesion interactions; which were, not surprisingly, surface chemistry and topography. This knowledge was applied to addressing insect residue adhesion mitigation on commercial aircraft leading edge surfaces. Composite epoxy coatings formulated with controlled surface chemistry and topography were evaluated and led to identification of additional relevant considerations: dynamics and surface morphology. Collectively, these considerations were applied to address impact ice adhesion mitigation where further properties were elucidated: surface mechanical properties and durability. Seeking commonality between these research endeavors led to greater understanding of each new research objective and ultimately, identification of robust, viable pathways toward meaningful results.

Adhesion Mitigation↗