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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 91 records · Page 5

The effects of high-pressure annealing on magnetostructural transitions and magnetoresponsive properties in stoichiometric MnCoGe

In this study, phase transitions (structural and magnetic) and associated magnetocaloric properties of stoichiometric MnCoGe have been investigated as a function of annealing pressure. Metastable phases were generated by annealing at 800 °C followed by rapid cooling under pressures up to 6.0 GPa. The x-ray diffraction results reveal that the crystal cell volume of the metastable phases continuously decreases with increasing thermal processing pressure, leading to a decrease in the structural transition temperature. The magnetic and structural transitions merge and form a first-order magnetostructural transition between the ferromagnetic orthorhombic and paramagnetic hexagonal phases over a broad temperature range (>80 K) spanning room temperature, yielding considerable magnetic entropy changes. These findings demonstrate the utility of thermal processing under high pressure, i.e., high-pressure annealing, to control the magnetostructural transitions and associated magnetocaloric properties of MnCoGe without altering its chemical composition.

Physics↗

Instability of Nagaoka State and Quantum Phase Transition via Kinetic Frustration Control

We investigate the Nagaoka-Thouless (NT) ferromagnetic instability in the strongly interacting t-t' Hubbard model by continuously breaking particle-hole symmetry on a tunable square-triangular lattice geometry. We use an analytic approach to show that the fully spin-polarized state becomes unstable to a metastable spin-polaron when the kinetic frustration t'/t exceeds a critical, dimension-dependent value. Large-scale density matrix renormalization group (DMRG) simulations reveal a quantum phase transition from the NT ferromagnet to a spiral spin-density wave, which evolves continuously into the Haerter-Shastry antiferromagnet in the large-frustration limit. Remarkably, this transition remains robust at low but finite hole density, making it accessible in cold-atom and moiré Hubbard platforms under strong interactions. A variational analysis further captures the instability mechanism at finite density via frustration-induced magnon band deformation.

FOS: Physical sciences↗

Quantum phase transition from superconducting to insulating-like state in a pressurized cuprate superconductor

Copper oxide superconductors continue to fascinate the communities of condensed matter physics and material sciences because they host the highest ambient-pressure superconducting transition temperature and unconventional electronic behaviour that are not fully explained. Searching for universal links between the superconducting state and its normal metallic state is believed to be an effective approach to elucidate the underlying mechanism of superconductivity. One of the common expectations for copper oxide superconductors is that a metallic phase will appear after the superconductivity is entirely suppressed by chemical doping or the application of a magnetic field9. Here we report the first observation of a quantum phase transition from a superconducting state to an insulating-like state as a function of pressure in Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212) superconductors with two CuO 2 planes in a unit cell for doping below, at and above a level that achieves the highest transition temperature. We also find the same phenomenon in related compounds with a single CuO 2 plane as well as three CuO 2 planes in a unit cell. This apparently universal phenomenon poses a challenge for achieving a unified understanding of the mechanism of high-temperature superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ferromagnetism and structural phase transition in rhombohedral PrI r 3

The synthesis, structural, magnetic, thermal, and transport properties are reported for polycrystalline PrI⁢r 3 . At room temperature PrI⁢r 3 displays the rhombohedral space group R–3m and a PuNi 3 -type structure. At around 70 K a phase transition to a monoclinic C⁢2/m structure is observed and continued cooling reveals temperature independent behavior of the unit cell volume. Further, PrI⁢r 3 undergoes a paramagnetic to ferromagnetic transition with T c =7.5K. The temperature dependent magnetic susceptibility follows the Curie-Weiss law with a positive Curie-Weiss temperature, and an effective moment that is close to the theoretical effective moment for a free P⁢r +3 ion. Finally, the structural transition introduces further complexity into the behavior of PuNi 3 -type materials and highlights the importance of temperature-dependent structural studies to complement physical property measurements in intermetallic compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transitional Structures with Continuous Variations in Atomic Positions from Anatase to Rutile Improve Photocatalytic Activity

Abstract TiO 2 polymorphs have distinct properties that are widely employed in various applications. However, mechanisms of transformations between these polymorphs are not fully understood, especially at atomic scale, inhibiting advancing the design and application of the transitional phases. Here, based on results from semi‐in situ transmission electron microscopy, density functional theory, and X‐ray photoemission experiments, a physical picture of transitional structures is discovered, in which continuous variations in atomic positions form along a previously unreported anatase‐to‐rutile phase transformation path of [010] A –to–[] R and (004) A –to– (011) R . These gradient structures give rise to continuous band bending, which promotes electron‐hole separation and inhibits their recombination across the bulk of the particles, leading to a large functionally active volume fraction and resulting in high photoactivity. These findings suggest that interphase matter based on extended gradient structures can be designed to advance new functions not achievable using abrupt interfaces.

36 MATERIALS SCIENCE↗

Dynamic experiments to study the α - ε phase transition in cerium

The ability to understand and predict the response of matter at extreme conditions requires knowledge of a material’s equation-of-state including the location of phase boundaries, transition kinetics, and the evolution of material strength. Cerium is a material with a complex phase diagram that continues to attract significant scientific interest. Recent dynamic experiments have provided information on the low-pressure γ–α phase transition, sound speed, and Hugoniot data for the higher-pressure α phase, as well as the incipient shock melt transition. Despite these efforts, there are still regions of the phase diagram that are largely unexplored dynamically, including the high-pressure region below the melt boundary. Along a room temperature isotherm, diamond anvil cell data report a transition to the ϵ phase between 13 and 17 GPa. At higher temperatures, similar diamond anvil cell data show significant disagreement regarding the existence, location, and slope of the ϵ-phase boundary. In this work, double-shock loading was used to access the α–ϵ region of the phase diagram to obtain equation-of-state information and to determine the location of the ϵ-phase boundary for shock loading.

74 ATOMIC AND MOLECULAR PHYSICS↗

Liquid-liquid phase separation in supercooled water from ultrafast heating of low-density amorphous ice

Recent experiments continue to find evidence for a liquid-liquid phase transition (LLPT) in supercooled water, which would unify our understanding of the anomalous properties of liquid water and amorphous ice. These experiments are challenging because the proposed LLPT occurs under extreme metastable conditions where the liquid freezes to a crystal on a very short time scale. Here, we analyze models for the LLPT to show that coexistence of distinct high-density and low-density liquid phases may be observed by subjecting low-density amorphous (LDA) ice to ultrafast heating. We then describe experiments in which we heat LDA ice to near the predicted critical point of the LLPT by an ultrafast infrared laser pulse, following which we measure the structure factor using femtosecond x-ray laser pulses. Consistent with our predictions, we observe a LLPT occurring on a time scale <100 ns and widely separated from ice formation, which begins at times >1 μs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Preliminary Characterization Results from the DebriSat Project

The DebriSat project is a continuing effort sponsored by NASA and DoD to update existing break-up models using data obtained from two separate hypervelocity impact tests used to simulate on-orbit collisions. To protect the fragments resulting from the impact tests, "soft-catch" arenas made of polyurethane foam panels were utilized. After each impact test, the test chamber was cleaned and debris resulting from the catastrophic demise of the test article were collected and shipped to the University of Florida for post-impact processing. The post-impact processing activities include collecting, characterizing, and cataloging of the fragments. Since the impact tests, a team of students has been working to characterize the fragments in terms of their mass, size, shape, color and material content. The focus of the 20 months since the impact tests has been on the collection of 2 millimeters- and larger fragments resulting from impact test on the 56 kilogram-representative LEO (Low Earth Orbit) satellite referred to as DebriSat. To date we have recovered in excess of 115,000 fragments, 30,000 more than the prediction of 85,000 fragments from the existing model. We continue to collect fragments but have transitioned to the characterization phase of the post-impact activities. Since the start of the characterization phase, the focus has been to utilize automation to (i) expedite fragment characterization process and (ii) minimize human-in-the- loop. We have developed and implemented such automated processes; e.g., we have automated the data entry process to reduce operator errors during transcription of the measurement data. However, at all steps of the process, there is human oversight to ensure the integrity of the data. Additionally, we have developed and implemented repeatability and reproducibility tests to ensure that the instrumentation used in the characterization process is accurate and properly calibrated. In this paper, the implemented processes are described and preliminary results presented. Additionally, lessons learned from the implemented automations and their impacts on the integrity of the results are discussed.

Rivero, M.↗

Atomic-Scale Observation of O1 Faulted Phase-Induced Deactivation of LiNiO 2 at High Voltage

LiNiO 2 and cobalt-free ultrahigh-Ni content cathodes suffer from rapid capacity loss and severe chemomechanical degradation, especially when operated at high voltages. Here, by cycling LiNiO 2 up to 4.7 V, we report the atomic-scale observation of O1 faulted phase-induced deactivation of LiNiO 2 . We found that although a thin layer of O3 phase forms on the particle surface by reversible O3 → O1 transformation during discharge, the bulk interior still maintains the O1 faulted phase, leading to rapid capacity loss of LiNiO 2 . Moreover, the atomic configuration of the O1/O3 interface is investigated comprehensively. We found that the misfit along the c axes of the O1 and O3 phases results in the formation of misfit dislocations, whereby cation mixing is promoted at dislocation cores. Further, a transition zone with continuous shear along the a-b plane is uncovered between the O1 and O3 phases for the first time. Besides, severe oxygen loss-induced pore formation and concurrent rock salt transformation are also identified.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Anomalous excitonic phase diagram in band-gap-tuned Ta2Ni(Se,S)5

Abstract During a band-gap-tuned semimetal-to-semiconductor transition, Coulomb attraction between electrons and holes can cause spontaneously formed excitons near the zero-band-gap point, or the Lifshitz transition point. This has become an important route to realize bulk excitonic insulators – an insulating ground state distinct from single-particle band insulators. How this route manifests from weak to strong coupling is not clear. In this work, using angle-resolved photoemission spectroscopy (ARPES) and high-resolution synchrotron x-ray diffraction (XRD), we investigate the broken symmetry state across the semimetal-to-semiconductor transition in a leading bulk excitonic insulator candidate system Ta 2 Ni(Se,S) 5 . A broken symmetry phase is found to be continuously suppressed from the semimetal side to the semiconductor side, contradicting the anticipated maximal excitonic instability around the Lifshitz transition. Bolstered by first-principles and model calculations, we find strong interband electron-phonon coupling to play a crucial role in the enhanced symmetry breaking on the semimetal side of the phase diagram. Our results not only provide insight into the longstanding debate of the nature of intertwined orders in Ta 2 NiSe 5 , but also establish a basis for exploring band-gap-tuned structural and electronic instabilities in strongly coupled systems.

36 MATERIALS SCIENCE↗

Development of satellite position location system for aircraft and boat distress beacons

An international satellite system for the detection and location of distress beacons carried on aircraft and vessels is in its technical checkout phase. User demonstration and evaluation (D&E) will start in early 1983 and continue for two years. The D&E phase and a subsequent transition period will form the basis for improved search and rescue operations for the 1980's and beyond. The system, called COSPAS/SARSAT, has international participation involving the U.S., Canada, and France as SARSAT members and joint participation with the Soviet Union's COSPAS Project. Norway and the U.K. have recently joined as investigators. Average position location error of the satellite aided processing is expected to be from 10-20KM for the existing 121.5/243 MHz distress beacons and from 2-5KM for experimental beacons transmitting in the 406 MHz band.

Kahle, D. R.↗

A Platform-Independent X-ray Diffraction Diagnostic for Phase Transition Kinetics in Traditional and Synthetic Microstructure Materials (LDRD Project 213088 Final Report)

Pulsed-power generators using the magnetic loading technique are able to produce well-controlled continuous ramp compression of condensed matter for high-pressure equation-of-state studies. X-ray diffraction (XRD) data from dynamically compressed samples provide direct measurements of the elastic compression of the crystal lattice, onset of plastic flow, strength-strain rate dependence, structural phase transitions, and density of crystal defects such as dislocations. Here, we present a cost effective, compact X-ray source for XRD measurements on pulsed-power-driven ramp-loaded samples. This combination of magnetically-driven ramp compression of materials with single, short-pulse XRD diagnostic will be a powerful capability for the dynamic materials community. The success in fielding this new XRD diagnostic dramatically improves our predictive capability and understanding of rate-dependent behavior at or near phase transition. As Sandia plans the next-generation pulse-power driver platform, a key element needed to deliver new state-of-the-art experiments will be having the necessary diagnostic tools to probe new regimes and phenomena. These diagnostics need to be as versatile, compact, and portable as they are powerful. The development of a platform-independent XRD diagnostic gives Sandia researchers a new window to study the microstructure and phase dynamics of materials under load. This project has paved the way for phase transition research in a variety of materials with mission interest.

36 MATERIALS SCIENCE↗

Dielectric catastrophe at the Wigner-Mott transition in a moiré superlattice

The bandwidth-tuned Wigner-Mott transition is an interaction-driven phase transition from a generalized Wigner crystal to a Fermi liquid. Because the transition is generally accompanied by both magnetic and charge-order instabilities, it remains unclear if a continuous Wigner-Mott transition exists. Here, we demonstrate bandwidth-tuned metal-insulator transitions at fixed fractional fillings of a MoSe 2 /WS 2 moiré superlattice. The bandwidth is controlled by an out-of-plane electric field. The dielectric response is probed optically with the 2s exciton in a remote WSe 2 sensor layer. The exciton spectral weight is negligible for the metallic state with a large negative dielectric constant. It continuously vanishes when the transition is approached from the insulating side, corresponding to a diverging dielectric constant or a ‘dielectric catastrophe’ driven by the critical charge dynamics near the transition. Our results support the scenario of continuous Wigner-Mott transitions in two-dimensional triangular lattices and stimulate future explorations of exotic quantum phases in their vicinities.

42 ENGINEERING↗

Precursor region with full phonon softening above the charge-density-wave phase transition in 2 H -TaSe 2

Research on charge-density-wave (CDW) ordered transition-metal dichalcogenides continues to unravel new states of quantum matter correlated to the intertwined lattice and electronic degrees of freedom. Here, we report an inelastic x-ray scattering investigation of the lattice dynamics of the canonical CDW compound 2H-TaSe 2 complemented by angle-resolved photoemission spectroscopy and density functional perturbation theory. Our results rule out the formation of a central-peak without full phonon softening for the CDW transition in 2H-TaSe 2 and provide evidence for a novel precursor region above the CDW transition temperature T CDW , which is characterized by an overdamped phonon mode and not detectable in our photoemission experiments. Thus, 2H-TaSe 2 exhibits structural before electronic static order and emphasizes the important lattice contribution to CDW transitions. Our ab-initio calculations explain the interplay of electron-phonon coupling and Fermi surface topology triggering the CDW phase transition and predict that the CDW soft phonon mode promotes emergent superconductivity near the pressure-driven CDW quantum critical point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Binary neutron star mergers as a probe of quark-hadron crossover equations of state

It is anticipated that the gravitational radiation detected in future gravitational wave (GW) detectors from binary neutron star (NS) mergers can probe the high-density equation of state (EOS). In this work, we perform the first simulations of binary NS mergers which adopt various parametrizations of the quark-hadron crossover (QHC) EOS. These are constructed from combinations of a hadronic EOS ($n_b$<2 $n_0$) and a quark-matter EOS ($n_b$>5 $n_0$), where $n_b$ and $n_0$ are the baryon number density and the nuclear saturation density, respectively. At the crossover densities (2 $n_0$ < $n_b$ < 5 $n_0$) the QHC EOSs continuously soften, while remaining stiffer than hadronic and first-order phase transition EOSs, achieving the stiffness of strongly correlated quark matter. This enhanced stiffness leads to significantly longer lifetimes of the postmerger NS than that for a pure hadronic EOS. We find a dual nature of these EOSs such that their maximum chirp GW frequencies $f_{\text{max}}$ fall into the category of a soft EOS while the dominant peak frequencies ($f_{\text{peak}}$) of the postmerger stage fall in between that of a soft and stiff hadronic EOS. An observation of this kind of dual nature in the characteristic GW frequencies will provide crucial evidence for the existence of strongly interacting quark matter at the crossover densities for QCD.

79 ASTRONOMY AND ASTROPHYSICS↗

Finite-temperature phase diagram of the Berenstein-Maldacena-Nastase matrix model on the lattice

We investigate the thermal phase structure of the Berenstein-Maldacena-Nastase matrix model using nonperturbative lattice Monte Carlo calculations. Our main analyses span 3 orders of magnitude in the coupling, involving systems with sizes up to 𝑁𝜏 =24 lattice sites and SU⁡(𝑁) gauge groups with 8 ≤𝑁 ≤16. In addition, we carry out extended checks of discretization artifacts for 𝑁𝜏 ≤128 and gauge group SU(4). We find results for the deconfinement temperature that interpolate between the perturbative prediction at weak coupling and the large-𝑁 dual supergravity calculation at strong coupling. While we confirm that the phase transition is first order for strong coupling, it appears to be continuous for weaker couplings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Continuous symmetry breaking in a two-dimensional Rydberg array

Spontaneous symmetry breaking underlies much of our classification of phases of matter and their associated transitions. The nature of the underlying symmetry being broken determines many of the qualitative properties of the phase; this is illustrated by the case of discrete versus continuous symmetry breaking. Indeed, in contrast to the discrete case, the breaking of a continuous symmetry leads to the emergence of gapless Goldstone modes controlling, for instance, the thermodynamic stability of the ordered phase. Here, we realize a two-dimensional dipolar XY model that shows a continuous spin-rotational symmetry using a programmable Rydberg quantum simulator. We demonstrate the adiabatic preparation of correlated low-temperature states of both the XY ferromagnet and the XY antiferromagnet. In the ferromagnetic case, we characterize the presence of a long-range XY order, a feature prohibited in the absence of long-range dipolar interaction. In conclusion, our exploration of the many-body physics of XY interactions complements recent works using the Rydberg-blockade mechanism to realize Ising-type interactions showing discrete spin rotation symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Observation of a phase transition within the domain walls of ferromagnetic Co3Sn2S2

Abstract The ferromagnetic phase of Co 3 Sn 2 S 2 is widely considered to be a topological Weyl semimetal, with evidence for momentum-space monopoles of Berry curvature from transport and spectroscopic probes. As the bandstructure is highly sensitive to the magnetic order, attention has focused on anomalies in magnetization, susceptibility and transport measurements that are seen well below the Curie temperature, leading to speculation that a “hidden” phase coexists with ferromagnetism. Here we report spatially-resolved measurements by Kerr effect microscopy that identify this phase. We find that the anomalies coincide with a deep minimum in domain wall (DW) mobility, indicating a crossover between two regimes of DW propagation. We demonstrate that this crossover is a manifestation of a 2D phase transition that occurs within the DW, in which the magnetization texture changes from continuous rotation to unidirectional variation. We propose that the existence of this 2D transition deep within the ferromagnetic state of the bulk is a consequence of a giant quality factor for magnetocrystalline anisotropy unique to this compound. This work broadens the horizon of the conventional binary classification of DWs into Bloch and Néel walls, and suggests new strategies for manipulation of domain walls and their role in electron and spin transport.

36 MATERIALS SCIENCE↗