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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 361 records · Page 20
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DOE OSTI2022

Solar Energetic Particle Acceleration at a Spherical Shock with the Shock Normal Angle $θ$ $B_n$ Evolving in Space and Time

We present a 2D kinematic model to study the acceleration of solar energetic particles (SEPs) at a shock driven by a coronal mass ejection. The shock is assumed to be spherical about an origin that is offset from the center of the Sun. This leads to a spatial and temporal evolution of the angle between the magnetic field and the shock-normal direction (θ Bn ) as it propagates through the Parker spiral magnetic field from the lower corona to 1 au. We find that the high-energy SEP intensity varies significantly along the shock front due to the evolution of θ Bn . Generally, the west flank of the shock preferentially accelerates particles to high energies compared to the east flank and shock nose. This can be understood in terms of the rate of acceleration, which is higher at the west flank. Double power-law energy spectra are reproduced in our model as a consequence of the local acceleration and transport effects. These results will help us to better understand the evolution of SEP acceleration and provide new insights into large SEP events observed by multiple spacecraft, especially those close to the Sun, such as Parker Solar Probe and Solar Orbiter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Magnetic structures and excitations in sawtooth olivine chalcogenides Mn 2 SiX 4 (X = S, Se)

The Mn lattice in olivine chalcogenide Mn 2 SiX 4 (X = S, Se) compounds forms a sawtooth, which is of special interest in magnetism owing to the possibility of realizing flat bands in magnon spectra, a key component in magnonics. In this work, we investigate the Mn 2 SiX 4 olivines using magnetic susceptibility, and X-ray and neutron diffraction. We have determined the average and local crystal structures of Mn 2 SiS 4 and Mn 2 SiSe 4 using synchrotron X-ray, neutron diffraction, and X-ray total scattering data followed by Rietveld and pair distribution function analyses. It is found from the pair distribution function analysis that the Mn triangle that constitutes the sawtooth is isosceles in Mn 2 SiS 4 and Mn 2 SiSe 4 . The temperature evolution of magnetic susceptibility of Mn 2 SiS 4 and Mn 2 SiSe 4 shows anomalies below 83 K and 70 K, respectively, associated with magnetic ordering. From the neutron powder diffraction measurements the magnetic space groups of Mn 2 SiS 4 and Mn 2 SiSe 4 are found to be Pnma and Pnm'a', respectively. Here, we find that the Mn spins adopt a ferromagnetic alignment on the sawtooth in both Mn 2 SiS 4 and Mn 2 SiSe 4 but along different crystallographic directions for the S and the Se compounds. From the temperature evolution of Mn magnetic moments obtained from refining neutron diffraction data, the transition temperatures are accurately determined as T N (S) = 83(2) K and T N (Se) = 70.0(5) K. Broad diffuse magnetic peaks are observed in both the compounds, and are prominently seen close to T N , suggesting the presence of a short-range magnetic order. The magnetic excitations studied using inelastic neutron scattering reveal a magnon excitation with an energy corresponding to approximately 4.5 meV in both S and Se compounds. Spin correlations are observed to persist up to 125 K much above the ordering temperature and we suggest the possibility of short-range spin correlations responsible for this.

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

Probing early-time longitudinal dynamics with the Λ hyperon's spin polarization in relativistic heavy-ion collisions

Here, we systematically study the hyperon global polarization's sensitivity to the collision systems' initial longitudinal flow velocity in hydrodynamic simulations. By explicitly imposing local energy-momentum conservation when mapping the initial collision geometry to macroscopic hydrodynamic fields, we study the evolution of systems' orbital angular momentum (OAM) and fluid vorticity. We find that a simultaneous description of the $\Lambda$ hyperons' global polarization and the slope of pion's directed flow can strongly constrain the size of longitudinal flow at the beginning of hydrodynamic evolution. We extract the size of the initial longitudinal flow and the fraction of orbital angular momentum in the produced QGP fluid as a function of collision energy with the STAR measurements in the RHIC Beam Energy Scan program. We find that there is about 100-200 $\hbar$ OAM that remains in the mid-rapidity fluid at the beginning of hydrodynamic evolution. We further exam the effects of different hydrodynamic gradients on the spin polarization of $\Lambda$ and $\bar{\Lambda}$. The gradients of $\mu_B/T$ can change the ordering between $\Lambda$'s and $\bar{\Lambda}$'s polarization.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Irradiation-Induced Defect Evolution in Nuclear Graphite

Graphite has historically been used as a moderator material in nuclear reactor designs dating back to the first man-made nuclear reactor to achieve criticality (Chicago Pile 1) in 1942. Additionally, graphite is a candidate material for use in the future envisioned next-generation nuclear reactors (Gen IV); specifically, the molten-salt-cooled (MSR) and very-high-temperature reactor (VHTR) concepts. Gen IV reactor concepts will introduce material challenges as temperature regimes and reactor lifetimes are anticipated to far exceed those of earlier reactors. Irradiation-induced defect evolution is a fundamental response in nuclear graphite subjected to irradiation. These defects directly influence the many property changes of nuclear graphite subjected to displacing radiation; however, a comprehensive explanation for irradiation-induced dimensional change remains elusive. The objectives of this project were focused on the characterization of irradiation-induced defect evolution in nuclear graphite via transmission electron microscopy (TEM). With the use of novel TEM specimen preparation techniques, high-temperature electron-irradiation and characterization of high-temperature neutron-irradiated nuclear graphite, novel fullerene-like defects are shown to be a dominant defect type, especially at higher temperatures. These results contradict the historical models of defect evolution and provide valuable insight into the macroscopically observed property changes in irradiated nuclear graphite.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Towards data-driven constitutive modelling for granular materials via micromechanics-informed deep learning

The analytical description of path-dependent elastic-plastic responses of a granular system is highly complicated because of continuously evolving microstructures and strain localisation within the system undergoing deformation. This study offers an alternative to the current analytical paradigm by developing micromechanics-informed machine-learning based constitutive modelling approaches for granular materials. A set of critical variables associated with the constitutive behaviour of granular materials are identified through an incremental stress-strain relationship analysis. Depending on the strategy to exploit the priori micromechanical knowledge, three different training strategies are explored. The first model uses only the measurable external variables to make stress predictions; the second model utilises a directed graph to link all the external strain sequences and internal microstructural evolution variables into a single prediction model comprised of a series of sub-mappings, and the third model explicitly integrates the physically important non-temporal properties with external strain paths into training through an enhanced Gated Recurrent Unit (GRU). These three models show satisfactory agreement with unseen test specimens based on multi-directional loading cases. The basic features and potential applications of each model are explained. Lastly, the key factors for constitutive training and limitations of the current work are also discussed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Primordial black holes as a dark matter candidate in theories with supersymmetry and inflation

We show that supersymmetry and inflation, in a broad class of models, generically lead to formation of primordial black holes (PBHs) that can account for dark matter. Supersymmetry predicts a number of scalar fields that develop a coherent condensate along the flat directions of the potential at the end of inflation. Here, the subsequent evolution of the condensate involves perturbative decay, as well as fragmentation into Q-balls, which can interact by some long-range forces mediated by the scalar fields. The attractive scalar long-range interactions between Q-balls facilitates the growth of Q-balls until their ultimate collapse to black holes. For a flat direction lifted by supersymmetry breaking at the scale Λ ~ 100 TeV, the black hole masses are of the order of (M 3 Planck /Λ 2 ) ~ 10 22 g, in the allowed range for dark matter. Similar potentials with a lower scale Λ (not necessarily associated with supersymmetry) can result in a population of primordial black holes with larger masses, which can explain some recently reported microlensing events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Achieving Stable Molybdenum Oxide Cathodes for Aqueous Zinc‐Ion Batteries in Water‐in‐Salt Electrolyte

Abstract Layered MoO 3 represents a promising cathode for aqueous rechargeable Zn‐ion batteries, but the implementation of this material is limited due to the low conductivity and poor structural stability. A 30 m ZnCl 2 water‐in‐salt electrolyte (WISE) is introduced to a MoO 3 nanobelt cathode for the first time, significantly increasing the stability of MoO 3 cathodes compared to those in 3 m ZnSO 4 and 3 m ZnCl 2 . The Zn/MoO 3 cell in WISE unambiguously demonstrate significantly improved rate performance delivering 349, 253, and 222 mAh g −1 at 100, 500, and 1000 mA g −1 , denoting a 12× capacity increase of those achieved in 3 m electrolytes at 1000 mA g −1 . A capacity retention rate of 73% is achieved after (dis)charging at 100 mA g −1 for 100 cycles, and no obvious capacity fading is observed at higher current densities of 500 mA g −1 and 2 A g −1 . Specifically, the data suggest that the drastic fading in 3 m electrolytes can be attributed to the parasitic surface deposits on Zn originated from Mo dissolution and H 2 formation due to Zn corrosion and hydrogen evolution reaction, which are significantly suppressed in the WISE. The direct visualization of these side reactions is achieved for the first time in the Zn‐MoO 3 system, using an in situ optoelectrochemical measurement.

Wang, Lei↗
DOE OSTI2021

Joining AA7099 to Ni-Cr-Mo Steel Using Single Pass Friction Stir Dovetailing and AA6061 Butter Layer

A novel single pass friction stir dovetailing (FSD) was developed to join thick plate AA7099 to Ni-Cr-Mo steel in a lap configuration through the use of an AA6061 butter layer. The butter layer approach can be shown to significantly reduce interfacial failures by inhibiting the formation of brittle Fe–Al intermetallic compounds (IMCs) which are typically formed during conventional friction stir welding (FSW) of AA7099 directly to steel. This study evaluates the strength and microstructural evolution of the aluminum/steel joint interface between single pass FSD of AA7099/AA6061(butter)/steel fabricated using three different FSD tool configurations. The butter layer was achieved by placement of a free-floating strip of AA6061 within the dovetail groove that was pre-machined in the steel substrate. Friction stir welding was then used to simultaneously join the thick plate AA7099, the AA6061 strip and the AA7099 in a single weld pass. To optimize the joining process, three different pin geometries (full thread, half smooth/half thread, no thread) were evaluated; it was demonstrated that the half smooth/half thread tool produced the strongest weld joint due to the absence of a Zn rich layer at the Al/steel interface. The efficacy of this unique processing technique was tested using lap shear tensile testing as well as high resolution transmission electron microscopy (TEM). A discussion of the new FSD technique, joint configurations, and process parameters are provided along with joint microstructural analyses and mechanical performance.

Olszta, Matthew J.↗
DOE OSTI2020

Atomic defects, functional groups and properties in MXenes

MXenes, a new family of functional two-dimensional (2D) materials, have shown great potential for an extensive variety of applications within the last decade. Atomic defects and functional groups in MXenes are known to have a tremendous influence on the functional properties. In this review, we focus on recent progress in the characterization of atomic defects and functional group chemistry in MXenes, and how to control them to directly influence various properties ( e.g ., electron transport, Li + adsorption, hydrogen evolution reaction (HER) activity, and magnetism) of 2D MXenes materials. Dynamic structural transformations such as oxidation and growth induced by atomic defects in MXenes are also discussed. The review thus provides perspectives on property optimization through atomic defect engineering, and bottom-up synthesis methods based on defect-assisted homoepitaxial growth of MXenes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

In-Operando Study of Shape Retention and Microstructure Development in a Hydrolyzing Sol–Gel Ink during 3D-Printing

3D printing of amorphous and crystalline ceramics is of paramount importance for the fabrication of a wide range of devices with applications across different technology fields. Printed ceramics are remarkably enabled by the sol-gel synthesis method in conjunction with continuous filament direct ink writing. During printing, multiple processes contribute to the evolution of inks including shape retention, chemical conversion, solidification, and microstructure formation. Traditionally, depending on the ink composition and printing environment, several mechanisms have been associated with the shape retention and solidification of 3D printed structures: gelation, rapid solvent evaporation, energy-driven phase transformation, and chemical-driven phase transformation. Understanding the fundamental differences between these mechanisms becomes key since they strongly influence the spatiotemporal evolution of the materials, as the out-of-equilibrium processes inherent to the extrusion, relaxation, and solidification of printed materials have significant effects on the materials properties. Herein, we investigate the shape retention mechanism and the hydrolysis-induced material conversion and microstructure formation during the 3D printing of a water reactive sol-gel ink that transforms into titanium dioxide-based ceramic. This study aims at identifying characteristic mechanisms associated with the material transformation, establishing connections between the microstructure development and the timescales associated with solidification under operando 3D-printing conditions. The investigation of this material's out-of-equilibrium pathways under processing conditions is enabled by time-resolved coherent X-ray scattering, providing simultaneous access to temporospatially resolved microstructural and dynamics information. Furthermore, we explore X-ray speckle tracking as a tool to resolve deformations of the microstructure in a printed filament associated with the deposition of consecutive filaments. Through this work, we aim at providing a fundamental understanding of the relationships behind these transformative processes in 3D printing and their timescales as the basis for achieving unprecedented control over printed materials microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermally driven surface phase separation in intermetallic alloys

Intermetallic compounds are widely recognized for their high-temperature phase stability and resistance to composition and structural changes. However, we reveal athermally activated bulk-to-surface mass exchange mechanism that drives surface phase separation, resulting in the formation of surface precipitates with distinct composition andstructure from the bulk matrix. Using the archetypal β-NiAl system, we show that asymmetries in vacancy formation energies between Ni and Al atoms induce preferential Ni segregation to the surface, forming Ni-rich γ'-Ni 3 Al precipitates. By integrating in-situ electron microscopy, synchrotron X-ray absorption spectroscopy and first-principles computational modeling, we establish a direct mechanistic connection between bulk thermal defect dynamics, surface compositional evolution, and phase segregation behavior. This bulk-surface coupling mechanism can be a driver of surface phase separation in multicomponent alloys under thermal stress. In conclusion, these results refine the thermodynamic boundaries of intermetallic stability and provide insights into managingthe performance and durability of intermetallic alloys for demanding high-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mitigation of hydrogen crossover in liquid alkaline water electrolysers using gas recombination catalysts

The rising demand for hydrogen calls for improvements in the efficiency of liquid alkaline water electrolysers (LAWEs), which can be fulfilled by advanced electrodes or separators. Nevertheless, they also intensify hydrogen crossover and safety concerns, thus mandating efficient mitigation strategies. Here we studied the correlation between cathodes and hydrogen crossover behaviours and mitigated safety risks by designing a gas recombination catalyst (GRC). We attribute the elevated hydrogen crossover associated with platinum-based cathodes to their preferential utilization for the hydrogen evolution reaction that creates elevated hydrogen supersaturation, as evidenced by direct measurements of dissolved hydrogen concentration. Varying the placement of platinum layers relative to the cathode–separator interface also supports this conclusion. The implementation of a GRC reduces hydrogen crossover by 95% without affecting LAWE performance and functions for over 1,000 h at 1 A cm−2. This study provides insights into hydrogen supersaturation and the crossover mechanism, as well as offering a promising pathway to enhance the efficiency and reliability of alkaline water electrolysis.

Liu, Haotian↗
DOE OSTI2022

Element-specific first order reversal curves measured by magnetic transmission x-ray microscopy

The first-order reversal curve (FORC) method is a macroscopic measurement technique that can be used to extract quantitative and microscopic properties of hysteretic systems. Using magnetic transmission x-ray microscopy (MTXM), local element-specific FORC measurements are performed on a 20 nm thick film of CoTb. The FORCs measured with microscopy reveal a step-by-step domain evolution under the magnetic field cycling protocol and provide a direct visualization of the mechanistic interpretation of FORC diagrams. They are compared with magnetometry FORCs and show good quantitative agreement. Furthermore, the high spatial resolution and element-specific sensitivity of MTXM provide new capabilities to measure FORCs in small regions or specific phases within multicomponent systems, including buried layers in heterostructures. The ability to perform FORCs on very small features is demonstrated with the MTXM-FORC measurement of a rectangular microstructure with vortex-like Landau structures. This work demonstrates the confluence of two uniquely powerful techniques to achieve quantitative insight into nanoscale magnetic behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Investigation of magnetic fluctuations in L-H and H-L transition dynamics on DIII-D

The dynamics of the L-H transition is not fully understood, with many parameters changing the threshold power to enter H-mode and the self-regulation between zonal flows and turbulence in the plasma edge. This paper is primarily a presentation of experimental results for DIII-D L-H and H-L transitions and speculation on the observations made. Power threshold analysis and measurements of pedestal temperatures for these transitions are presented. A comparison is made between an L-H transition and H-L transition of comparable Psep exhibiting oscillatory behaviour, showing symmetry between forward and backward transition dynamics. This paper shows the first observations of magnetic fluctuations during L-H and H-L transitions on DIII-D, and shows that L-H and H-L transitions have similar magnetic fluctuation dynamics. Information geometry analysis has been performed on measurements of plasma density fluctuations, perpendicular plasma velocity fluctuations, and magnetic field fluctuations to investigate the self-regulation and evolution of these variables during the transitions. Perpendicular flow evolution is shown to dominate the transition dynamics in both directions, but self-regulation behaviour is observed between all three variables. A strong correlation between magnetic fluctuation information rate and density fluctuation information rate for these two shots shows the strong influence of magnetic behaviour on both the L-H and H-L transition, and that these transition dynamics necessarily include electromagnetic effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Critical lensing and kurtosis near a critical point in the QCD phase diagram in and out of equilibrium

In this work, we study the lensing effect of the QCD critical point on hydrodynamic trajectories and its consequences on the net-proton kurtosis $\kappa$ 4 . Including critical behavior by means of the BEST Collaboration equation of state (EoS), we first consider a scenario in equilibrium, then compare with hydrodynamic 0+1⁢D simulations with Bjorken expansion, including both shear and bulk viscous terms. Here, we find that, both in and out of equilibrium, the size and shape of the critical region directly affect if the signal will survive through the dynamical evolution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Niobium hydride formation in superconducting qubit thin films

The formation of nonsuperconducting hydrides in 160–170-nm-thick films of niobium is examined. We identify six elastically distinct orientation relationships ɛ−Nb 4 ⁢H 3 takes within the matrix, solid-solution 𝛼−NbH 𝑥 phase. We employ a phase field model to assess the impact of elastic energy induced by the strain of phase transformation on the morphology and transformation dynamics of ɛ precipitates within a thin film. We consider the dimensions of the thin film, crystallographic growth direction, and diffusion rates to predict the timescale of hydride evolution. Leveraging the finite element method, we predict two-dimensional and three-dimensional equilibrium shapes of ɛ-hydrides within a bulk sample and in a thin film that has a traction-free surface. Our results suggest that niobium hydrides migrate to the free surface of the film. Precipitates which reach the free surface coarsen, while precipitates within the film dissolve. Precipitates in both two dimensions and three dimensions experience a repulsive interaction force at the free surface, that is attractive in the bulk, shown in experiment and theory of previous studies.

36 - MATERIALS SCIENCE↗
DOE OSTI2020

Estimating the Ages of FGK Dwarf Stars through the Use of GALEX FUV Magnitudes

Stellar age cannot be directly measured, yet age determinations are fundamental to understanding the evolution of stars, planets, and galaxies. The work presented here builds upon the idea of a stellar-activity age. We utilized far-ultraviolet (FUV) photometry acquired by the Galaxy Evolution Explorer (GALEX) space telescope as an indicator of chromospheric activity to infer ages of late-F, G, and K type dwarf stars. We derived a purely empirical correlation between FUV magnitudes and stellar age in conjunction with (B − V) color. Our attention is restricted to Sun-like stars with color range 0.55⩽(B−V)⩽0.71 and absolute magnitude range 4.3 ≤ M {sub V} ≤ 5.3. The correlation is defined in terms of a FUV-excess parameter Q(FUV−B,B−V). We related stellar age, τ, to Q through the relation log{sub e}(τ)=log{sub e}(a)+bQ, where a and b are fit parameters and functions of (B − V). This correlation is functional up to 6 Gyr for FGK dwarfs. With such a correlation, one only needs Johnson (B − V) and FUV measurements to estimate the stellar age for Population i dwarf stars of solar-like temperature and metallicity. Such a calibration has utility in population studies of FGK dwarfs for further understanding of the chemical evolution of the Milky Way. As an illustration of one such application, we have constructed activity and FUV–age distributions for a sample of thin and thick disk stars, as distinguished by their chemical abundances. Considerable overlap is found between the activity distribution and age range of the two populations. We discuss the possibility that some high-[α/Fe] thick disk stars were formed as a result of the accretion of dwarf galaxies as recently as 4 Gyr ago.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Decoding the flow evolution in Au+Au reactions at 1.23 A GeV using hadron flow correlations and dileptons

We investigate the development of the directed, v 1 , and elliptic flow, v 2 , in heavy ion collisions in mid-central Au+Au reactions at E lab = 1.23A GeV. We demonstrate that the elliptic flow of hot and dense matter is initially positive (v 2 >0) due to the early pressure gradient. This positive v 2 transfers its momentum to the spectators, which leads to the creation of the directed flow v 1 . In turn, the spectator shadowing of the in-plane expansion leads to a preferred decoupling of hadrons in the out-of-plane direction and results in a negative v 2 for the observable final state hadrons. We propose a measurement of v 1 −v 2 flow correlations and of the elliptic flow of dileptons as methods to pin down this evolution pattern. The elliptic flow of the dileptons allows then to determine the early-state EoS more precisely, because it avoids the strong modifications of the momentum distribution due to shadowing seen in the protons. This opens the unique opportunity for the HADES and CBM collaborations to measure the Equation-of-State directly at 2-3 times nuclear saturation density.

Reichert, Tom↗