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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Space-time crystalline order of a high-critical-temperature superconductor with intrinsic Josephson junctions

Abstract We theoretically demonstrate that the high-critical-temperature (high- T c ) superconductor Bi 2 Sr 2 CaCu 2 O 8+ x (BSCCO) is a natural candidate for the recently envisioned classical space-time crystal. BSCCO intrinsically forms a stack of Josephson junctions. Under a periodic parametric modulation of the Josephson critical current density, the Josephson currents develop coupled space-time crystalline order, breaking the continuous translational symmetry in both space and time. The modulation frequency and amplitude span a (nonequilibrium) phase diagram for a so-defined spatiotemporal order parameter, which displays rigid pattern formation within a particular region of the phase diagram. Based on our calculations using representative material properties, we propose a laser-modulation experiment to realize the predicted space-time crystalline behavior. Our findings bring new insight into the nature of space-time crystals and, more generally, into nonequilibrium driven condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Defect Spirograph: Dynamical Behavior of Defects in Spatially Patterned Active Nematics

We report that topological defects in active liquid crystals can be confined by introducing gradients of activity. Here, we examine the dynamical behavior of two defects confined by a sharp gradient of activity that separates an active circular region and a surrounding passive nematic material. Continuum simulations are used to explain how the interplay among energy injection into the system, hydrodynamic interactions, and frictional forces governs the dynamics of topologically required self-propelling + 1/2 defects. Our findings are rationalized in terms of a phase diagram for the dynamical response of defects in terms of activity and frictional damping strength. Different regions of the underlying phase diagram correspond to distinct dynamical modes, namely immobile defects, steady rotation of defects, bouncing defects, bouncing-cruising defects, dancing defects, and multiple defects with irregular dynamics. These dynamic states raise the prospect of generating synchronized defect arrays for microfluidic applications.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Advanced Colloids Experiment (ACE) Science Overview

The Advanced Colloids Experiment is being conducted on the International Space Station (ISS) using the Light Microscopy Module (LMM) in the Fluids Integrated Rack (FIR). Work to date will be discussed and future plans and opportunities will be highlighted. The LMM is a microscope facility designed to allow scientists to process, manipulate, and characterize colloidal samples in micro-gravity where the absence of gravitational settling and particle jamming enables scientists to study such things as:a.The role that disordered and ordered-packing of spheres play in the phase diagram and equation of state of hard sphere systems,b.crystal nucleation and growth, growth instabilities, and the glass transition, c.gelation and phase separation of colloid polymer mixtures,d.crystallization of colloidal binary alloys,e.competition between crystallization and phase separation,f.effects of anisotropy and specific interactions on packing, aggregation, frustration and crystallization,g.effects of specific reversible and irreversible interactions mediated in the first case by hybridization of complementary DNA strands attached to separate colloidal particles,h.Lock and key interactions between colloids with dimples and spheres which match the size and shape of the dimples,i.finding the phase diagrams of isotropic and interacting particles,j.new techniques for complex self-assembly including scenarios for self-replication, k.critical Casimir forces,l.biology (real and model systems) in microgravity,m.etc. By adding additional microscopy capabilities to the existing LMM, NASA will increase the tools available for scientists that fly experiments on the ISS enabling scientists to observe directly what is happening at the particle level. Presently, theories are needed to bridge the gap between what is being observed (at a macroscopic level when photographing samples) with what is happening at a particle (or microscopic) level. What is happening at a microscopic level will be directly accessible with the availability of the Light Microscopy Module (LMM) on ISS. To meet these goals, the ACE experiment is being built-up in stages, with the availability of confocal microscopy being the ultimate objective. Supported by NASAs Physical Sciences Research Program, ESAESTEC, and the authors respective governments.

Microgravity Biology Research↗
DOE OSTI2025

Lattice QCD constraints on the critical point from an improved precision equation of state

In this paper we employ lattice simulations to search for the critical point of QCD. We search for the onset of a first-order QCD transition on the phase diagram by following contours of constant entropy density from imaginary to real chemical potentials under conditions of strangeness neutrality. We scan the phase diagram and investigate whether these contours meet to determine the probability that the critical point is located in a certain region on the 𝑇−𝜇 𝐵 plane. To achieve this we introduce a new, continuum extrapolated equation of state at zero density with improved precision using lattices with 𝑁 𝜏 =8, 10, 12, 16 time slices, and supplement it with new data at imaginary chemical potential. The current precision allows us to exclude, at the 2⁢𝜎 level, the existence of a critical point at 𝜇 𝐵 <450 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

STAR Heavy-ion results

The exploration of the Quantum Chromodynamics (QCD) phase diagram has been one of the main drivers of contemporary nuclear physics. Heavy-ion collisions provide a powerful tool to explore phase structures of strongly interacting hot and dense nuclear matter called Quark–Gluon Plasma (QGP). The Relativistic Heavy Ion Collider (RHIC) is uniquely suited to map the QCD phase diagram by varying the energy of collisions, as well as nuclei species. These proceedings discuss the most recent results from the STAR experiment at RHIC and future plans.

Physics↗
DOE OSTI2024

Frustration-mediated crossover from long-range to short-range magnetic ordering in Y 1 – x L u x BaC o 4 O 7

The R⁢BaC⁢o 4⁢ O 7 system is a prototype geometrically frustrated magnet in which kagome planes and triangular layers of Co-O tetrahedra interleave. For R=Y, an antiferromagnetic ground state is realized due to a frustration-breaking trigonal-orthorhombic phase transition. For R = Lu, however, a long-range ordered state has rarely, if ever, been reported despite a similar symmetry-breaking transition, albeit at a significantly lower temperature. To explore this dichotomy, we present a comprehensive magnetic and structural phase diagram for Y 1-x L⁢u x BaC⁢o 4 ⁢O 7 , established through complementary neutron diffraction and magnetization measurements. Our results outline the phase evolution of the nuclear structures in response to changes in composition and temperature. Further, the temperature of the trigonal (P⁢31⁢c) to orthorhombic (Pbn⁢2 1 ) transition, T s⁢1 , decreases monotonically with increasing Lu content from 310 K for x = 0.0 to 110 K for x = 1.0. In Lu-rich compositions (0.7 ≤ x ≤ 1.0), first-order structural transitions are observed with coexisting and competing orthorhombic Pbn⁢2 1 and metastable monoclinic Cc phases. For the magnetically ordered Y-rich compositions, T- and x-dependent refinements of the magnetic structure reveal an antiferromagnetic “ribbonlike” arrangement of Co spin pairs in both the triangular and the kagome layers. A gradual suppression of long-range magnetic order is observed with increasing the Lu content, accompanied by the development of short-range magnetic correlations present in all the samples.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Modeling of gamma/gamma-prime phase equilibrium in the nickel-aluminum system

A theoretical model is proposed for the determination of phase equilibrium in alloys, taking into consideration dissimilar lattice parameters. Volume-dependent pair interactions are introduced by means of phenomenological Lennard-Jones potentials and the configurational entropy of the system is treated in the tetrahedron approximation of the cluster variation method. The model is applied to the superalloy-relevant, nickel-rich, gamma/gamma-prime phase region of the Ni-Al phase diagram. The model predicts reasonable values for the lattice parameters and the enthalpy of formation as a function of composition, and the calculated phase diagram closely approximates the experimental diagram.

Sanchez, J. M.↗
DOE OSTI2023

Isoplethal study of phase formation and morphology in uranium-304L steel via scanning electron microscopy

Understanding the formation of uranium alloys with steel is important to advance nuclear technologies involving U metal fuels and machining U metal, and for nuclear forensics applications. No known phase diagram for the quaternary U-(M = Fe, Ni, Cr) system exists. For this work, we synthesize samples of U-304 L steel (nominal composition 70.1:18.3:10.4 at% Fe:Cr:Ni) across the U composition range 4.45—63.35 at%U by arc melting under inert conditions. Using the binary UFe phase diagram as a reference, we identify four U-steel alloy phases. We find the known U-Fe analogue phases UM 2 and U 6 M, and two low-U composition phases with nominal compositions UM 10 and U 2 M 7 . We apply a correlation length analysis to backscatter scanning electron microscopy images of sectioned and polished cross sections to quantify the domain formation length scale. We demonstrate that these depend heavily on the initial composition and range from 30 nm to 1.5 µm. This result, in particular, could be applicable to theoretical predictions of transport properties. Furthering our understanding of U alloy phase formation with important structural elements such as steel primaries is foundational in developing future nuclear technology.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Phase evolution of U-Zr system in a thermal cycling neutron diffraction experiment: as-cast U-35Zr and U-50Zr

Here, phase evolution of as-cast U-35 wt% Zr and U-50 wt% Zr alloys during thermal cycling (303–1073 K) was investigated using in-situ neutron diffraction. Analysis was performed using Rietveld crystal and microstructure refinements from time-of-flight neutron diffraction data, with a focus on evolution of lattice parameter, atom ordering, unit cell volume, and weight fractions during the thermal cycling. Disordered δ-UZr 2 and residual γ-(U,Zr) phase are retained in the field of δ of the U-Zr equilibrium phase diagram for the U-50Zr sample, and in the field between δ and α-U for the U-35Zr sample. The α phase that is present in the reported phase diagrams of U-Zr was not observed in the diffraction patterns. The evolutions of lattice parameter and unit cell volume of δ and γ are affected by both thermal expansion and chemistry.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Metastability and Ostwald step rule in the crystallisation of diamond and graphite from molten carbon

Abstract Experimental challenges in determining the phase diagram of carbon at temperatures and pressures near the graphite-diamond-liquid triple point are often related to the persistence of metastable crystalline or glassy phases, superheated crystals, or supercooled liquids. A deeper understanding of the crystallisation kinetics of diamond and graphite is crucial for effectively interpreting the outcomes of these experiments. Here, we reveal the microscopic mechanisms of diamond and graphite nucleation from liquid carbon through molecular simulations with first-principles machine learning potentials. Our simulations accurately reproduce the experimental phase diagram of carbon near the triple point and show that liquid carbon crystallises spontaneously upon cooling. Metastable graphite crystallises in the domain of diamond thermodynamic stability at pressures above the triple point. Furthermore, whereas diamond crystallises through a classical nucleation pathway, graphite follows a two-step process in which low-density fluctuations forego ordering. Calculations of the nucleation rates of the two competing phases confirm this result and reveal a manifestation of Ostwald’s step rule, where the strong metastability of graphite hinders the transformation to the stable diamond phase. Our results provide a key to interpreting melting and recrystallisation experiments and shed light on nucleation kinetics in polymorphic materials with deep metastable states.

Science & Technology - Other Topics↗
DOE OSTI2021

Universal behavior of the bosonic metallic ground state in a two-dimensional superconductor

Anomalous metallic behavior, marked by a saturating finite resistivity much lower than the Drude estimate, has been observed in a wide range of two-dimensional superconductors. Utilizing the electrostatically gated LaAlO 3 /SrTiO 3 interface as a versatile platform for superconductor-metal quantum phase transitions, we probe variations in the gate, magnetic field, and temperature to construct a phase diagram crossing from superconductor, anomalous metal, vortex liquid, to the Drude metal state, combining longitudinal and Hall resistivity measurements. We find that the anomalous metal phases induced by gating and magnetic field, although differing in symmetry, are connected in the phase diagram and exhibit similar magnetic field response approaching zero temperature. Namely, within a finite regime of the anomalous metal state, the longitudinal resistivity linearly depends on the field while the Hall resistivity diminishes, indicating an emergent particle-hole symmetry. The universal behavior highlights the uniqueness of the quantum bosonic metallic state, distinct from bosonic insulators and vortex liquids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2006

Observations Of A Cast Cu-Cr-Zr Alloy

The calculated phase diagram and observations of Zeng et al were confirmed. 1) Additional X-ray diffraction peaks for aged sample indicates possibility that additional metastable phases may form; 2) Cu5Zr was observed rather than the Cu9Zr2 proposed for the binary Cu-Zr phase diagram. Despite similarities between Zr and Nb, Cu-Cr-Zr does not appear to be a good candidate alloy system for rocket engine applications.

Ellis, David L.↗
NASA NTRS1972

The effect of phosphorus on the formation of the Widmanstaetten pattern in iron meteorites.

Use of a combination of a revised Fe-Ni-P phase diagram and laboratory cooling experiments on Fe-Ni-P alloys to determine the effect of P on the formation of the Widmanstaetten pattern. From the phase diagram results, two reaction paths were found for the formation of kamacite (1) gamma (taenite) yields alpha (kamacite) + gamma (taenite) and (2) gamma yields gamma + Ph /phosphide, (FeNi)3P/ yields alpha + gamma + Ph. The reaction path gamma yields alpha + gamma is preferred at low P contents, while at higher P contents and at Ni contents greater than 7.0 wt.%, the reaction path gamma yields gamma + Ph yields alpha + gamma + Ph controls the formation of kamacite. Above 7 wt.% Ni, the effect of P on the equilibrium nucleation temperature of kamacite is quite small, less than about plus or minus 30 C with respect to the Fe-Ni binary diagram. The addition of P (greater than 0.1 wt.%) to meteorites promotes nucleation of kamacite at higher temperatures and effectively lowers the amount of undercooling necessary to nucleate kamacite homogeneously. Ni has just the opposite effect, decreasing the temperature of nucleation and increasing the amount of undercooling. It is concluded that significant amounts of undercooling, 50 to 100 C, are necessary for the nucleation of the Widmanstaetten structure in meteorites, and that chemical equilibrium is maintained in the various phases of slowly cooled iron meteorites to 650 C and probably to 600 C.

Goldstein, J. I.↗
DOE OSTI2024

Reentrant polar phase induced by the ferroionic coupling in B⁢i 1−𝑥 ⁢S⁢m 𝑥 ⁢Fe⁢O 3 nanoparticles

Using the model of four sublattices, the Landau-Ginzburg-Devonshire-Kittel phenomenological approach and the Stephenson-Highland ionic adsorption model for the description of coupled polar and antipolar long-range orders in ferroics, we analytically calculated the phase diagrams and polar properties of B⁢i 1−𝑥 ⁢S⁢m 𝑥⁢ Fe⁢O 3 nanoparticles covered by surface ions with dependence on their size, surface ions density, samarium content 𝑥 , and temperature. The size effects and ferroionic coupling govern the appearance and stability conditions of the long-range ordered ferroelectric, reentrant ferrielectric, and antiferroelectric phases in B⁢i 1−𝑥 ⁢S⁢m 𝑥 ⁢Fe⁢O 3 nanoparticles. Calculated phase diagrams are in qualitative agreement with the x-ray diffraction phase analysis, electron paramagnetic resonance, infrared spectroscopy, and electrophysical measurements of B⁢i 1−𝑥 ⁢S⁢m 𝑥 ⁢Fe⁢O 3 nanopowders sintered by the solution combustion method. The combined theoretical-experimental approach allows us to explain the influence of the ferroionic coupling and size effects in B⁢i 1−𝑥 ⁢S⁢m 𝑥 ⁢Fe⁢O 3 nanoparticles on their polar properties.

antiferroelectricity↗
DOE OSTI2022

High temperature superconductivity in the candidate phases of solid hydrogen

As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen is expected to become metallic with a high superconducting transition temperature. The metallization may occur via band gap closure in the molecular solid or via a transition to the atomic solid. Recently, a few experimental studies pushed the achievable pressures into the 400–500 GPa range. There are strong indications that at some pressure in this range metallization via either of these mechanisms occurs, although there are disagreements between experimental reports. Furthermore, there are multiple good candidate crystal phases that have emerged from recent computational and experimental studies which may be realized in upcoming experiments. Therefore, it is crucial to determine the superconducting properties of these candidate phases. In a recent study, we reported the superconducting properties of the C2/c-24 phase, which we believe to be a strong candidate for metallization via band gap closure. Here, we report the superconducting properties of the Cmca-12, Cmca-4 and I4 1 /amd-2 phases including the anharmonic effects using a Wannier function-based dense k-point and q-point sampling. Here we find that the Cmca-12 phase has a superconducting transition temperature that rises from 86 K at 400 GPa to 212 K at 500 GPa, whereas the Cmca-4 and I4 1 /amd-2 phases show a less pressure-dependent behavior with their T c in the 74–94 K and 307–343 K ranges, respectively. These properties can be used to distinguish between crystal phases in future experiments. Understanding superconductivity in pure hydrogen is also important in the study of high-T c hydrides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Dual dressed black holes as the end point of the charged superradiant instability in $\mathcal{N} = 4$ Yang Mills

Charged Black holes in AdS_5 × S^5 A d S 5 × S 5 suffer from superradiant instabilities over a range of energies. Hairy black hole solutions (constructed within gauged supergravity) have previously been proposed as endpoints to this instability. We demonstrate that these hairy black holes are themselves unstable to the emission of large dual giant gravitons. We propose that the endpoint to this instability is given by Dual Dressed Black Holes (DDBH)s; configurations consisting of one, two, or three very large dual giant gravitons surrounding a core AdS A d S black hole with one, two, or three SO(6) S O ( 6 ) chemical potentials equal to unity. The dual giants each live at AdS A d S radial coordinates of order \sqrt{N} N and each carry charge of order N^2 N 2 . The large separation makes DDBHs a very weakly interacting mix of their components and allows for a simple computation of their thermodynamics. We conjecture that DDBHs dominate the phase diagram of \mathcal{N}=4 𝒩 = 4 Yang-Mills over a range of energies around the BPS plane, and provide an explicit construction of this phase diagram, briefly discussing the interplay with supersymmetry. We develop the quantum description of dual giants around black hole backgrounds and explicitly verify that DDBHs are stable to potential tunneling instabilities, precisely when the chemical potentials of the core black holes equal unity. We also construct the 10-dimensional DDBH bulk solutions.

Choi, Sunjin (ORCID:0000000283310199)↗
DOE OSTI2022

Thermodynamic guiding principles of high-capacity phase transformation materials for splitting H 2 O and CO 2 by thermochemical looping

Here, thermochemical looping splitting of water and carbon dioxide (CO 2 ) with greenhouse-gas-free (GHG-free) energy has the potential to help address the Gt-scale GHG emissions challenge. Reaction thermodynamics largely contributes to the main bottlenecks of cost reduction for thermochemical looping water/CO 2 splitting cycle. Here, we analyze thermodynamic driving forces in such cycles with two-phase ternary ferrites as model systems. We find that cation configurational entropy chiefly determines the change of partial molar entropy with oxygen stoichiometry. In addition, our phase diagram analysis accurately predicts the optimal Fe ratio for maximal water/CO 2 splitting capacity in thermal reduction and in chemical reduction based cycles, underlining the significance of phase boundary positions. With chemical reduction, >10% CO 2 conversion and high oxygen exchange capacity can both be achieved. Furthermore, our reduced Gibbs free energy model illustrates critical thermodynamic factors that influence the water/CO 2 splitting capacity. Our research reveals the thermodynamic driving forces underlying the unconventional high-capacity Fe-poor ferrites, further explained via phase diagrams of Fe–Co–O, Fe–Ni–O and Fe–Mg–O. Future materials improvements can be guided by our reduced Gibbs free energy model.

08 HYDROGEN↗
DOE OSTI2023

Thermodynamic modeling of KCl-PrCl 3 and KCl-LiCl-PrCl 3 systems

Molten salt electrolysis can recover the actinides from spent nuclear fuels, and it involves a eutectic LiCl-KCl in molten form as an electrolyte. During reprocessing, the concentration of fission products such as La, Nd, Pr, etc., increases and affects the recovery efficiency of the electrolyte. In this work, thermodynamic modeling of KCl-PrCl 3 and KCl-LiCl-PrCl 3 systems was carried out using the CALPHAD (Calculation of Phase Diagrams) approach for the first time. The thermodynamic functions for the pure salts were taken from the SGTE (Scientific Group Thermodata Europe) Substances (SSUB) database. The experimental thermochemical and phase equilibria data available in the literature were used as input for the assessment of KCl-PrCl 3 and KCl-LiCl-PrCl 3 systems. The model parameters for the KCl-LiCl system were adjusted to include the new Gibbs energy descriptions for the pure salts. In addition, the sublattice model for the liquid phase in the LiCl-PrCl 3 system was modified and reassessed to ensure the model compatibility for higher-order extrapolation. There is a good agreement between the experimental and calculated thermochemical and phase diagram data for all the optimized constituent binaries and the ternary system. Furthermore, this work will be beneficial for determining the solubility limit of PrCl 3 in molten LiCl-KCl electrolytes and their thermodynamic properties for improving the efficiency of the pyrochemical process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗