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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Atomistic simulations to reveal HIP-bonding mechanisms of Al6061/Al6061

Molecular dynamics simulations were employed to understand the diffusion bonding process during hot isostatic pressing (HIP) of Al6061/Al6061 alloy. Simulations of the HIP process reveal atomistic phenomena that are difficult or unlikely to be observed experimentally and provide useful insights into the mechanism of diffusion and bonding. Here, the results reveal that at the start of the HIP process, a massive incursion of oxygen atoms occurs from the pre-existing γ-Al 2 O 3 to the 6061 region across the interphase interface. These oxygen atoms interact with the enriched Mg atom layer present at the existing γ-Al 2 O 3 and 6061 matrix to form a secondary complex Mg 2 Al 2 O 5 phase. Diffusion calculations also show that transport of atoms due to the applied pressure is 4–5 orders of magnitude higher than would occur in the absence of HIP conditions. The Mg 2 Al 2 O 5 phase also provides efficient pathways for the rapid transport of Mg atoms. Because of the higher diffusion coefficients observed for Mg within the phase, Mg atoms can move more swiftly compared to their diffusion within other phases such as γ-Al 2 O 3 . This accelerated mobility facilitates the rapid movement of Mg atoms across the interface, leading to changes in the local composition and the potential growth of the Mg 2 Al 2 O 5 phase.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multiple magnetic interactions and large inverse magnetocaloric effect in TbSi and TbSi 0.6 Ge 0.4

We present a comprehensive investigation of the electronic structure, magnetization, specific heat, and crystallography of TbSi (FeB structure type) and TbSi 0.6 ⁢Ge 0.4 (CrB structure type) compounds. Both TbSi and TbSi 0.6 ⁢Ge 0.4 exhibit two antiferromagnetic (AFM) transitions at T N⁢1 ≈ 58 and 57 K, and T N⁢2 ≈ 36 and 44 K, respectively, along with an onset of weak metamagneticlike transition around 6 T between T N⁢1 and T N⁢2 . High-resolution specific heat (C P ) measurements show the second- and first-order nature of the magnetic transition at T N⁢1 and T N⁢2 , respectively, for both samples. However, in the case of TbSi, the low-temperature (LT) AFM to high-temperature (HT) AFM transition takes place via an additional AFM phase at the intermediate temperature (IT), where both LT to IT AFM and IT to HT AFM phase transitions exhibit a first-order nature. Both TbSi and TbSi 0.6 ⁢Ge 0.4 manifest significant magnetic entropy changes (Δ⁢S M ) of 9.6 and 11.6 J/kg-K, respectively, for Δ⁢μ 0 ⁢H=7 T, at T N⁢2 . The HT AFM phase of TbSi 0.6 ⁢Ge 0.4 is found to be more susceptible to the external magnetic field, causing a significant broadening in the peaks of Δ⁢S M curves at higher magnetic fields. Temperature- and field-dependent specific-heat data have been utilized to construct the complex HT phase diagram of these compounds. As a result, temperature-dependent x-ray diffraction measurements demonstrate substantial magnetostriction and anisotropic thermal expansion of the unit cell in both samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Searching for Phase Transitions in Artificial Kagome Spin Ice

Artificial Kagome spin ice is a metasurface consisting of small islands of polarizable magnets. These islands can be oriented by an external magnetic field applied in the same plane as the metasurface. By subsequently applying a relatively weaker field in the opposite direction of the initial field, a portion of the magnets in the lattice can be repolarized or “flipped” the other way. These flips cause instabilities in a previously uniformly aligned lattice, causing the system to interact with itself and induce changes in the overall magnetization of the metasurface. This Summer, my goal was to use this phenomenon to discern whether or not these systems could undergo a phase transition caused only by the initial change of the external magnetic field. Based on previous datasets that indicated that such a transition was observable, my task was to find and reproduce this potential phenomena. This process was conducted by repeating measurements on the system by using an external magnet to align the spin ice and then using Magnetic Force Microscopy (MFM) to probe the surface of the material to understand the changes in the magnetization over time. This report will discuss the characteristics of artificial Kagome spin ice, the methodology used to induce phase transitions, and the image processing methods used to understand the results. Although no reproducible evidence of a phase transition was found during the Summer, we were able to successfully reproduce short-term responses in the spin ice, as well as plot a hysteresis curve of the material.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3-Type Transition Metal Oxides

The oxygen stacking of O3-type layered sodium transition metal oxides (O3-NaTMO 2 ) changes dynamically upon topotactic Na extraction and reinsertion. While the phase transition from octahedral to prismatic Na coordination that occurs at intermediate desodiation by transition metal slab gliding is well understood, the structural evolution at high desodiation, crucial to achieve high reversible capacity, remains mostly uncharted. In this work, the phase transitions of O3-type layered NaTMO 2 at high voltage are investigated by combining experimental and computational approaches. An OP2-type phase that consists of alternating octahedral and prismatic Na layers is directly observed by in situ X-ray diffraction and high-resolution scanning transmission electron microscopy. The origin of this peculiar phase is explained by atomic interactions involving Jahn–Teller active Fe 4+ and distortion tolerant Ti 4+ that stabilize the local Na environment. Finally, the path-dependent desodiation and resodiation pathways are also rationalized in this material through the different kinetics of the prismatic and octahedral layers, presenting a comprehensive picture about the structural stability of the layered materials upon Na intercalation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Sleptonic SUSY: from UV framework to IR phenomenology

We study an attractive scenario, “Sleptonic SUSY”, which reconciles the 125 GeV Higgs scalar and the non-observation of superpartners thus far with potentially pivotal roles for slepton phenomenology: providing viable ongoing targets for LHC discovery, incorporating a co-annihilation partner for detectable thermal relic dark matter, and capable of mediating the potential muon g – 2 anomaly. This is accomplished by a modestly hierarchical spectrum, with sub-TeV sleptons and electroweakinos and with multi-TeV masses for the other new states. We study new elements in the UV MSSM realization of Sleptonic SUSY based on higher-dimensional sequestering and the synergy between the resulting gaugino-mediation, hypercharge D-term mediation and Higgs-mediation of SUSY-breaking, so as to more fully capture the range of possibilities. This framework stands out by harmoniously solving the flavor, CP and μ – Bμ problems of the supersymmetric paradigm. We discuss its extension to orbifold GUTs, including gauge-coupling and b-tau unification. We also develop a non-minimal model with extra Higgs fields, in which the electroweak vacuum is more readily cosmologically stable against decay to a charge-breaking vacuum, allowing a broader range of sleptonic spectra than in the MSSM alone. We survey the rich set of signals possible at the LHC and future colliders, covering both R-parity conservation and violation, as well as for dark matter detection. While the multi-TeV squarks imply a Little Hierarchy Problem, intriguingly, small changes in parameter space to improve naturalness result in dramatic phase transitions to either electroweak-preservation or charge-breaking. In a Multiverse setting, the modest unnaturalness may then be explained by the “principle of living dangerously”.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Characterization of Roughness, Porosity and Thermal Resistances of Continuous Casting Mold Slag Layers Devitrified and Crystallized in Laboratory

This paper presents an experimental investigation about the variation, with temperature, of surface roughness, porosity, degree of crystallization and microstructure, occurring in solid layers of a commercial mold powder slag used for casting medium carbon steel thin slabs. Characterization is done with samples devitrified and crystallized at 698 K, 823 K, 898 K and 973 K (425 °C, 550 °C, 625 °C and 700 °C) for 10,800 seconds, in the furnace of a high-temperature confocal laser scanning microscope. As well as, with slag disks devitrified non-isothermally in a heat flow apparatus based on the application of Fourier's law in steady state conditions, where the high temperature surface is maintained at selected values, between 927 K and 1241 K (654 °C and 968 °C). Surface roughness and porosity determinations are performed by image analysis of confocal laser scanning and scanning electron micrographs, respectively. For the time considered and temperatures ≥ 823 K (550 °C) the slag crystallizes completely, and variations of roughness and porosity with temperature are associated with changes in size and packing of the primary crystalline-phase grains. Crystallization induced porosity is significant and causes slag layer expansion. Hence crystallization does not lead to gap formation with a neighboring surface (e.g., mold wall) by shrinkage. Instead, surface separation arises from development of roughness, and measurements with the heat flow apparatus confirm that interfacial thermal resistance between a slag layer and a metallic wall can be estimated from the sum of the means of maximum peak to valley height of their surfaces. Furthermore, the results establish that slag layers roughness and porosity increase with temperature and reveal effective thermal conductivities in the range of ~ 0.3 to ~ 0.5 W/m K. Low effective thermal conductivities must be a consequence of porous bands, whose porosity depends on temperature and reaches values as high as ~ 0.20 and ~ 0.50.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nanostructural and rheological transitions of pH-responsive supramolecular systems involving a zwitterionic amphiphile and a triamine

Supramolecular aqueous complexes of a synthesized zwitterionic surfactant, 2-(dimethyl(octadecyl)ammonio)acetate (stearyl betaine) and diethylenetriamine, have been found to display pH-tunable rheological properties without the need for a co-surfactant. For this supramolecular system, the dynamically changing interplay among the constituents is responsible for the rich phase behavior including hollow nanotubules, bilayers, and vesicles. A further hypothesis is that hollow nanotubular structure is highly desirable for achieving chain entanglement geometries with reduced mesh size. The rheological properties of the suspension were measured using a rotational rheometer. An analysis using zero-shear viscosities at various temperatures as well as differential scanning calorimetry(DSC) helped shed light on thermodynamic and phase transitions taking place. The morphology of the suspension was analyzed by using a combination of small angle x-ray scattering(SAXS) and atomic force microscopy(AFM). Large steady-shear viscosities (up to ~160 Pa.s) and viscoelastic behavior was observed in acidic conditions which diminished upon increasing the pH. A novel analysis consisting of measured thermodynamic quantities such as activation energy(E a ) and enthalpy of transition(ΔH T ) further allude to the rich pH-sensitive nanoarchitecture of the system. Rather than commonly observed wormlike micelles, hollow nanotubules, as long as 1.6 µm were observed at pH 4 which disintegrated to bilayer sheets and vesicles upon increasing pH. Finally, gaining a comprehensive understanding from all the results, a transition mechanism between different suspension architectures was proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Low-cost thermal/environmental barrier coatings: A first-principles study

Development of low-cost advanced thermal/environmental barrier coating (T/EBC) materials with acceptable thermal and mechanical properties is essential for safeguarding ceramic composites substrate against thermal and chemical degradation, thereby enhancing the efficiency of components in the high-temperature section of gas turbine engines. To this end, here we employed density functional theory-based approaches to predict the thermodynamic, mechanical, and thermal properties of rare earth disilicates based on abundant rare earth elements, namely La 2 Si 2 O 7 and Ce 2 Si 2 O 7 , as potential alternatives to the current-state-of-the-art ytterbium disilicate EBCs that uses expensive and scarce element Yb. The present study predicts that G-phase Ce 2 Si 2 O 7 has an ultralow thermal conductivity (0.26 W/m/K at 1500 K) and the apparent bulk coefficient of thermal expansion (ABCTE) (≈6.9x10 -6 K -1 ) slightly higher than SiC, demonstrating great potential as low-cost high-performance T/EBC. However, La 2 Si 2 O 7 and Ce 2 Si 2 O 7 undergo an A- to G-phase polymorphic transition at around 1470 K, resulting in significant changes to crystal structure and lattice parameters, and accordingly CTE and lattice thermal conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Variations in GARS powder microstructure as a function of powder chemistry and particle size

The properties of metal produced through powder metallurgy depends on the feedstock used. Powders produced via gas atomization reaction synthesis (GARS) are used to produce oxide dispersion strengthened alloys. The desired powder size range can vary for each consolidation technique. However, powder microstructure also can vary with powder particle size, which in turn can impact the microstructure and properties of the consolidated parts. In this study, GARS powders are characterized via inductively coupled plasma mass spectroscopy, inert gas fusion, and high-resolution x-ray diffraction to determine variations in elemental and phase compositions. Transmission electron microscopy was used to understand microstructure variations as a function of chemistry and size. Across the three batches tested intermetallic content was 0.73–1.35 wt% in the 0-20 μm powder batch and increased to 2.46–3.80 wt% in the coarse 45-106 μm batch. Across all batches, volume percent of surface oxidation decreased with powder diameter, with volume percents within the range of 0.75–1.2 % across 10 μm powder particles, and below 0.4 % across coarse powder particles approximately 100 μm in diameter. These observations were supported by inert gas fusion measurements. However, the oxide layer was thicker in coarse powder particles due to a slower cooling rate. Increasing oxygen content in atomization gas to 2000 ppm and adding yttrium increased both the surface oxidation content and yttrium intermetallic content. Lastly, intermetallic phases within the powder coarsened with powder size. Intermetallic morphology changed from fine spherical intermetallic and columnar dendritic growth to a cellular structure with finer spherical intermetallic, to coarse irregular intermetallic and intermetallic along grain boundaries as a result of slower cooling rate and solidification rate in coarse powder particles. Furthermore, the addition of zirconium does not appear to significantly change intermetallic morphology, but the composition changed from a Y-Fe rich intermetallic to a Y-Zr-Fe intermetallic.

42 ENGINEERING↗
DOE OSTI2025

Investigation of Arctic Cloud Properties and Surface Radiation Based on MOSAiC Shipborne Observations

The Arctic is rapidly changing due to changes of the Earth system. This study investigates cloud fraction, phase partition, cloud type, and their relationships with surface radiation based on yearlong shipborne observations in the Arctic regions. The Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) campaign provided lidar and radar observations of cloud microphysical properties and surface shortwave (SW) and longwave (LW) radiation. Cloud and radiative properties were examined at daily and monthly resolutions in four seasons. Low clouds were found to be most prevalent throughout the year, followed by deep clouds. The ice phase is the dominant phase except for summer (June–August). Liquid and mixed phases show more significant monthly and annual mean radiative effects in SW and LW than the ice phase. The clouds show net warming effects due to LW heating in most months, while the SW cooling effects of clouds become more dominant for July and August. The cloud and radiation observations from MOSAiC were used to evaluate simulations of the atmospheric component of the Energy Exascale Earth System Model version 2. The simulations show large overestimations of the liquid and mixed phases in the Arctic regions from February to September. The simulations also underestimate the percentages of low clouds and overestimate the percentages of deep clouds throughout the year. Altogether, this work provides a unique analysis of cloud and radiation properties based on high-resolution shipborne observations, which can be used to assist future model evaluation and development.

58 GEOSCIENCES↗
DOE OSTI2022

Charge-neutral fermions and magnetic field-driven instability in insulating YbIr 3 Si 7

Kondo lattice materials, where localized magnetic moments couple to itinerant electrons, provide a very rich backdrop for strong electron correlations. They are known to realize many exotic phenomena, with a dramatic example being recent observations of quantum oscillations and metallic thermal conduction in insulators, implying the emergence of enigmatic charge-neutral fermions. Here, we show that thermal conductivity and specific heat measurements in insulating YbIr 3 Si 7 reveal emergent neutral excitations, whose properties are sensitively changed by a field-driven transition between two antiferromagnetic phases. In the low-field phase, a significant violation of the Wiedemann-Franz law demonstrates that YbIr 3 Si 7 is a charge insulator but a thermal metal. In the high-field phase, thermal conductivity exhibits a sharp drop below 300 mK, indicating a transition from a thermal metal into an insulator/semimetal driven by the magnetic transition. These results suggest that spin degrees of freedom directly couple to the neutral fermions, whose emergent Fermi surface undergoes a field-driven instability at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A kinetic model of friction in strongly coupled strongly magnetized plasmas

Plasmas that are strongly magnetized in the sense that the gyrofrequency exceeds the plasma frequency exhibit novel transport properties that are not well understood. As a representative example, we compute the friction force acting on a massive test charge moving through a strongly coupled and strongly magnetized one-component plasma using a generalized Boltzmann kinetic theory. Recent works studying the weakly coupled regime have shown that strong magnetization leads to a transverse component of the friction force that is perpendicular to both the Lorentz force and velocity of the test charge, in addition to the stopping power component aligned antiparallel to the velocity. Recent molecular dynamics simulations have also shown that strong Coulomb coupling in addition to strong magnetization gives rise to a third component of the friction force in the direction of the Lorentz force. Here, we show that the generalized Boltzmann kinetic theory captures these effects and generally agrees well with the molecular dynamics simulations over a broad range of Coulomb coupling and magnetization strength regimes. The theory is also used to show that the “gyro” component of the friction in the direction of the Lorentz force arises due to asymmetries associated with gyromotion during short-range collisions. Computing the average motion of the test charge through the background plasma, the transverse force is found to strongly influence the trajectory by changing the gyroradius and the gyrofriction force is found to slightly change the gyrofrequency of the test charge resulting in a phase shift.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Entanglement and many-body effects in collective neutrino oscillations

Collective neutrino oscillations play a crucial role in transporting lepton flavor in astrophysical settings, such as supernovae, where the neutrino density is large. In this regime, neutrino-neutrino interactions are important and simulations in the mean-field approximation show evidence for collective oscillations occurring at timescales much shorter than those associated with vacuum oscillations. In this work, we study the out-of-equilibrium dynamics of a corresponding spin model using matrix product states and show how collective bipolar oscillations can be triggered by many-body correlations if appropriate initial conditions are present. We find entanglement entropies scaling at most logarithmically in the system size suggesting that classical tensor network methods could be efficient in describing collective neutrino dynamics more generally. These observation provide a clear path forward, not only to increase the accuracy of current simulations, but also to elucidate the mechanism behind collective flavor oscillations without resorting to the mean-field approximation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Dynamical phase transitions in models of collective neutrino oscillations

Collective neutrino oscillations can potentially play an important role in transporting lepton flavor in astrophysical scenarios where the neutrino density is large, typical examples are the early universe and supernova explosions. It has been argued in the past that simple models of the neutrino Hamiltonian designed to describe forward scattering can support substantial flavor evolution on very short timescales t ≈ log(N) / (G Fρν ), with N the number of neutrinos, G F the Fermi constant and ρ ν the neutrino density. This finding is in tension with results for similar but exactly solvable models for which t ≈ √N/(G Fρν ) instead. In this work we provide a coherent explanation of this tension in terms of dynamical phase transitions (DPT) and study the possible impact that a DPT could have in more realistic models of neutrino oscillations and their mean-field approximation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Controlling phonon lifetimes via sublattice disordering in AgBiSe 2

Understanding and controlling microscopic heat transfer mechanisms in solids is critical to material design in numerous technological applications. Yet, the current understanding of thermal transport in semiconductors and insulators is limited by the difficulty in directly measuring individual phonon lifetimes and mean free paths, and studying their dependence on the microscopic state of the material. Here in this paper, we report our measurements of microscopic phonon scattering rates in AgBiSe 2 , which exhibits a controllable, reversible change directly linked to microstructure evolution near a reversible structural phase transition, that directly impacts the thermal conductivity. We demonstrate a steplike doubling of phonon scattering rates resultant from the cation disordering at the structural transition. To rationalize the neutron scattering data, we leverage a stepwise approach to account for alterations to the thermal conductivity that are imparted by distinct scattering mechanisms. These results highlight the potential of tunable microstructures housed in a stable crystal matrix to provide a practical route to tailor phonon scattering to optimize thermal transport properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Transcriptional response of Methanosarcina acetivorans to repression of the energy-conserving methanophenazine: CoM-CoB heterodisulfide reductase enzyme HdrED

ABSTRACT Methane-producing archaea are key organisms in the anaerobic carbon cycle. These organisms, also called methanogens, grow by converting substrate to methane gas in a process called methanogenesis. Previous research showed that the reduction of the terminal electron acceptor is the rate-limiting step in methanogenesis by Methanosarcina acetivorans . In order to gain insight into how the cells sense and respond to the availability of the terminal electron acceptor, we designed an experiment to deplete cells of the essential terminal oxidase enzyme, HdrED. We found that the depletion of HdrED in vivo results in a higher abundance of transcripts for methyltransferases ( mtaC2, mtaB3, mtaC3 ), coenzyme B biosynthesis, C1 metabolism, and pyrimidine compounds. In most cases, these changes were distinct from transcript abundance changes observed during the transition from exponential growth to stationary phase cultures. These data implicate the methylotrophic methanogenesis regulator MsrC (MA4383) in CoM-S-S-CoB heterodisulfide sensing and indicate cells have a specific mechanism to sense intracellular ratio of CoM-S-S-CoB, coenzyme M, and coenzyme B thiols and further suggest transcripts encoding translation and methanogenesis functions are controlled by feed-forward regulation depending on substrate availability. IMPORTANCE Methanosarcina is an emerging model archaeon and synthetic biology platform for the production of renewable energy and sustainable chemicals to reduce dependence on petroleum. Research into metabolic networks and gene regulation in this organism and other methanogens will inform genome-scale metabolic modeling and microbial function prediction in uncultured or non-model anaerobes and archaea. This study suggests methanogens use unknown mechanisms to efficiently couple methanogenesis to gene regulation via CoM-S-S-CoB and ATP availability.

Buan, Nicole R. (ORCID:000000027560973X)↗
DOE OSTI2026

2011 Seattle Tolling Impact Survey

The 2011 Tolling Impact Survey measured the impact of tolling on travel behavior in Seattle, Washington. The Volpe Center conducted the survey on behalf of the U.S. Department of Transportation and the Urban Partnership Agreement. The population surveyed included drivers, public transportation users, carpoolers, and vanpoolers using the SR-520 corridor in Seattle. The survey was conducted in two phases—before and after toll implementation—to evaluate related attitude changes. The survey assessed route changes, trip timing, trip purpose, and travel mode (i.e., single-occupancy vehicle, carpool, or public transportation).

1Hz data↗
DOE OSTI2026

2011 Atlanta Tolling Impact Survey

The 2011 Tolling Impact Survey measured the impact of tolling on travel behavior in Atlanta, Georgia. The Volpe Center conducted the survey on behalf of the U.S. Department of Transportation and the Urban Partnership Agreement. The population surveyed included drivers, public transportation users, carpoolers, and vanpoolers using the I-85 corridor in Atlanta, Georgia. The survey was conducted in two phases—before and after toll implementation—to evaluate related attitude changes. The survey assessed route changes, trip timing, trip purpose, and travel mode (i.e., single-occupancy vehicle, carpool, or public transportation).

1Hz data↗