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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tuning of charge density wave transitions in LaAu x Sb 2 by pressure and Au stoichiometry

Two charge density wave transition can be detected in La Au Sb 2 at ~ 110 and ~ 90 K by careful electrical transport measurements. Whereas control of the Au site occupancy in La Au x Sb 2 (for 0.9 ≲ x ≲ 1.0 ) can suppress each of these transitions by ~ 80 K , the application of hydrostatic pressure can completely suppress the lower transition by ~ 7.5 kbar and the upper transition by ~ 17 kbar . Here, clear anomalies in the resistance as well as the magnetoresistance are observed to coincide with the pressures at which the charge density wave transitions are driven to zero.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Light-driven permanent transition from insulator to conductor

The transition from insulator to conductor can be realized in some materials but requires modification of both the arrangement of atoms and their electronic configurations. This is often achieved by doping. Here we reveal a different mechanism the lattice may adopt to induce such a transition. Experiments showed the surprising finding that limited exposure to subband-gap light caused a permanent transition from an insulator state to a conductor state in the insulating oxide Ga 2 O 3 , with a nine orders of magnitude increase in electronic conduction. Furthermore, annealing up to 400 °C did not suppress or decrease the induced conductivity. Photoexcitation by light-induced modification in the charge state of defects and subsequent lattice distortion around them was suggested to be the underlying mechanism behind this transition. Density functional theory calculations confirmed that modifying the charge state of defects leads to redistribution of the localized electrons and massive structural distortion in the surrounding lattice, causing large shifts in the density of states and introducing new states with shallower energy levels. Both experimental and theoretical results revealed the introduction of stable shallow energy levels, explaining the mechanism behind the transition from an insulator to a conductor state by light. We suggest that this mechanism may occur in other wide band-gap metal oxides leading to drastic modification in their electronic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quantitative relationship between structural orthorhombicity, shear modulus, and heat capacity anomaly of the nematic transition in iron-based superconductors

Electronic nematicity in iron pnictide materials has been extensively studied by various experimental techniques, yet its heat capacity anomaly at the phase transition has not been examined quantitatively. In this paper, we review the thermodynamic description of nematicity in Ba(Fe 1- x Cox) 2 As 2 using the Landau free energy, which defines the behavior of three thermodynamic quantities: the structural orthorhombicity that develops below the nematic transition, the softening shear modulus above the transition, and the discontinuous heat capacity at the transition. We derive a quantitative relationship between these three quantities, which is found to hold for a range of dopings. We report this result shows that the nematic transition is exceedingly well described by a mean-field model in the underdoped regime of the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Thermal transport measurements through the charge density wave transition in CsV 3 Sb 5

We study thermal transport and thermalization in single crystals of CsV 3 Sb 5 through the CDW transition by directly measuring thermal diffusivity (D), thermal conductivity (κ), specific heat (c), and resistivity (ρ). Commensurate with previous reports, we observe a sharp, narrow anomaly in specific heat associated with a first-order transition that results in a CDW state below ~94 K. While a corresponding sharp anomaly in thermal diffusivity is also observed, resistivity and thermal conductivity only exhibit small steps at the transition, where the feature is sharp for resistivity and broader for thermal conductivity. Scrutinizing the thermal Einstein relation κ = cD, we find that this relation is generally satisfied, except in the narrow two-phase regime of the putative first-order transition. Here, the Wiedemann-Franz law as well seems to work outside the two-phase regime, where strong resemblance between the specific heat and the resistivity derivative below the transition may point to a concurrent emergence of a secondary electronic order parameter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Modified Brink-Axel hypothesis for astrophysical Gamow-Teller transitions

Weak interaction charged current transition strengths from highly excited nuclear states are fundamental ingredients for accurate modeling of compact object composition and dynamics, but are difficult to obtain either from experiment or theory. For lack of alternatives, calculations have often fallen back upon a generalized Brink-Axel hypothesis, that is, assuming the strength function (transition probability) is independent of the initial nuclear state but depends only upon the transition energy and the weak interaction properties of the parent nucleus ground state. Here we present numerical evidence for a modified “local” Brink-Axel hypothesis for Gamow-Teller transitions for pf-shell nuclei relevant to astrophysical applications. Specifically, while the original Brink-Axel hypothesis does not hold globally, strength functions from initial states nearby in energy are similar within statistical fluctuations. This agrees with previous work on strength function moments. Using this modified hypothesis, we can tackle strength functions at previously intractable initial energies, using semiconverged initial states at arbitrary excitation energy. Our work provides a well-founded method for computing accurate thermal weak transition rates for medium-mass nuclei at temperatures occurring in stellar cores near collapse. We finish by comparing results to previous calculations of astrophysical rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Uncertainty quantification of transition operators in the empirical shell model

While empirical shell model calculations have successfully described low-lying nuclear data for decades, only recently has significant effort been made to quantify the uncertainty in such calculations. Here, in this study, we quantify the statistical error in effective parameters for transition operators in empirical calculations in the sd (1s 1/2 -0d 3/2 -0d 5/2 ) valence space, specifically the quenching of Gamow-Teller transitions, effective charges for electric quadrupole (E2) transitions, and the effective orbital and spin couplings for magnetic dipole (M1) transitions and moments. We find the quenching factor for Gamow-Teller transitions relative to free-space values is tightly constrained. For effective M1 couplings, we found isoscalar components more constrained than isovector. This detailed quantification of uncertainties, while highly empirical, nonetheless is an important step towards interpretation of experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Two first-order phase transitions in hybrid compact stars: Higher-order multiplet stars, reaction modes, and intermediate conversion speeds

We study compact stars with hybrid equations of state consisting of a nuclear outer region and two nested quark phases, each separated from the lower density phase by a strong first-order phase transition. The stability of these models is determined by calculating their radial oscillation modes with different conversion rates between adjacent phases and hence junction conditions for the modes at the phase separation interface between them. In the case when the timescale of transition is faster than the period of oscillations, we recover the traditional stability criterion implying that ∂M/∂ρ c > 0 on the stable branch(es), where M is the mass and ρ c is the central density. In the opposite limit of slow conversion, we find stable stellar multiplets beyond triplets consisting of stars that are stable by the usual criterion plus slow-conversion (denoted by s) hybrid stars with ∂M/∂ρ c < 0 that are stabilized due to an alternative junction condition on the fluid displacement field at the interface reflecting the slow rate of conversion. We also study the properties of the reaction mode, the radial mode that only exists for stars with rapid (abbreviated by r) phase transitions, in stars with either two rapid phase transitions or alternating rapid and slow phase transitions for the first time. Here, the implications of alternative junction conditions are also examined, with these conditions generally being found to provide stability properties similar to those for a slow conversion rate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Nonequilibrium effects on stability of hybrid stars with first-order phase transitions

The stability of hybrid stars with first-order phase transitions as determined by calculating fundamental radial oscillation modes is known to differ from the predictions of the widely used Bardeen-Thorne-Meltzer criterion. We consider the effects of out-of-chemical-equilibrium physics on the radial modes and hence stability of these objects. For a barotropic equation of state, this is done by allowing the adiabatic sound speed to differ from the equilibrium sound speed. We show that doing so extends the stable branches of stellar models, allowing stars with rapid phase transitions to support stable higher-order stellar multiplets similarly to stars with multiple slow phase transitions. We also derive a new junction condition to impose on the oscillation modes at the phase transition. Termed the reactive condition, it is physically motivated, consistent with the generalized junction conditions between two phases, and has the common rapid and slow conditions as limiting cases. Unlike the two common cases, it can only be applied to nonbarotropic stars. Here, we apply this junction condition to hybrid stellar models generated using a two-phase equation of state consisting of nuclear matter with unpaired quark matter at high densities joined by a first-order phase transition and show that, like in the slow limiting case, stars that are classically unstable are stabilized by a finite chemical reaction speed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Hard-scattering approach to strongly hindered electric dipole transitions between heavy quarkonia

The conventional wisdom in dealing with electromagnetic transition between heavy quarkonia is the multipole expansion, when the emitted photon has a typical energy of order quarkonium binding energy. Nevertheless, in the case when the energy carried by the photon is of order typical heavy quark momentum, the multipole expansion doctrine is expected to break down. In this work, we apply the “hard-scattering” approach originally developed to tackle the strongly hindered magnetic dipole ( M 1 ) transition [Y. Jia , ] to the strongly hindered electric dipole ( E 1 ) transition between heavy quarkonia. We derive the factorization formula for the strongly hindered E 1 transition rates at the lowest order in velocity and α s in the context of the nonrelativistic QCD, and conduct a detailed numerical comparison with the standard predictions for various bottomonia and charmonia E 1 transition processes. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Continuous and discontinuous transitions in the depinning of two-dimensional dusty plasmas on a one-dimensional periodic substrate

We report Langevin dynamical simulations are performed to study the depinning dynamics of two-dimensional dusty plasmas on a one-dimensional periodic substrate. From the diagnostics of the sixfold coordinated particles P 6 and the collective drift velocity V x , three different states appear, which are the pinning, disordered plastic flow, and moving ordered states. It is found that the depth of the substrate is able to modulate the properties of the depinning phase transition, based on the results of P 6 and V x , as well as the observation of hysteresis of V x while increasing and decreasing the driving force monotonically. When the depth of the substrate is shallow, there are two continuous phase transitions. When the potential well depth slightly increases, the phase transition from the pinned to the disordered plastic flow states is continuous; however, the phase transition from the disordered plastic flow to the moving ordered states is discontinuous. When the substrate is even deeper, the phase transition from the pinned to the disordered plastic flow states changes to discontinuous. When the depth of the substrate further increases, as the driving force increases, the pinned state changes to the moving ordered state directly, so that the disordered plastic flow state disappears completely.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential

We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional theory (DFT) forces and energies, with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. We show that an accurate NequIP model, an E(3)-equivariant neural network potential, accurately reproduces the phase transition present in PBE. Moreover, the computational efficiency of this model allows for substantially longer molecular dynamics trajectories, enabling us to perform a finite-size scaling (FSS) analysis to distinguish between a crossover and a true first-order phase transition. Here, we locate the critical point of this transition, the liquid-liquid phase transition (LLPT), at 1200-1300 K and 155-160 GPa, a temperature lower than most previous estimates and close to the melting transition.

08 HYDROGEN↗
DOE OSTI2021

Thermodynamic Phase Transition in Magnetic Reconnection

By examining the entropy production in fully kinetic simulations of collisional plasmas, it is shown that the transition from collisional Sweet-Parker reconnection to collisionless Hall reconnection may be viewed as a thermodynamic phase transition. The phase transition occurs when the reconnection electric field satisfies E = $E_{D}\sqrt{m{e}/{m}_i}$ , where ${m{e}/{m}_i}$ is the electron-to-ion mass ratio and E D is the Dreicer electric field. This condition applies for all ${m{e}/{m}_i}$, including ${m{e}/{m}_i}$ = 1 , where the Hall regime vanishes and a direct phase transition from the collisional to the kinetic regime occurs. In the limit ${m{e}/{m}_i}$ → 0, this condition is equivalent to there being a critical electron temperature $Te ≈ m_iΩ^{2}_{i}δ^{2}$, where $Ω_i$ is the ion cyclotron frequency and δ is the current sheet half-thickness. The heat capacity of the current sheet changes discontinuously across the phase transition, and a critical power law is identified in an effective heat capacity. A model for the time-dependent evolution of an isolated current sheet in the collisional regime is derived.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Observation of three superconducting transitions in the pressurized CDW-bearing compound TaTe 2

Transition metal dichalcogenides host a wide variety of lattice and electronic structures, as well as corresponding exotic physical properties, especially under certain tuning conditions. Here, we report the observation of pressure-induced three superconducting transitions in TaTe 2 , a charge density wave (CDW)–bearing layered transition-metal dichalcogenide that is metallic but not superconducting at ambient pressure. We find that its CDW state can be easily suppressed upon increasing pressure up to ~1 GPa. A superconducting state then emerges from the suppressed CDW state and persists to the pressure about 7 GPa. Unexpectedly, another superconducting state appears at ~11 GPa within the same monoclinic (M) structure of its ambient-pressure one. Upon further compression to 21 GPa, a third superconducting state with higher T c appears from a high-pressure (HP) phase. Our experimental results suggest that the pressure-induced three superconducting transitions in TaTe 2 are, respectively, driven by the suppression of the CDW state, the change of the β angle in the M phase and the transition of M-to-HP phase. Finally, these results demonstrate not only the versatile nature of this correlated electron system, but also the first experimental example that shows the pressure-induced evolution from a CDW state to three superconducting states driven by different mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sawtooth lattice multiferroic BeCr 2 O 4 : Noncollinear magnetic structure and multiple magnetic transitions

Noncollinear magnetic structures and multiple magnetic phase transitions in a sawtooth lattice antiferromagnet consisting of Cr 3+ are experimentally identified in this work, thereby proposing the scenario of magnetism-driven ferroelectricity in a sawtooth lattice. The title compound, BeCr 2 O 4 , displays three magnetic phase transitions at low temperatures—at T N1 ≈ 7.5 K, at T N2 ≈ 25 K, and at T N3 ≈ 26 K—revealed through magnetic susceptibility, specific heat, and neutron diffraction in this work. These magnetic phase transitions are found to be influenced by externally applied magnetic fields. Isothermal magnetization curves at low temperatures below the magnetic transitions indicate the antiferromagnetic nature of BeCr 2 O 4 with two spin-flop-like transitions occurring at H c1 ≈ 29 kOe and H c2 ≈ 47 kOe. Our high-resolution x-ray and neutron diffraction studies, performed on single crystal and powder samples, unambiguously determined the crystal structure as orthorhombic Pbnm. By performing the magnetic superspace group analysis of the neutron diffraction data at low temperatures, the magnetic structure in the temperature range T N3,N2 < T < T N1 is determined to be the polar magnetic space group P21nm. 1' (00g) 0s0s with a cycloidal magnetic propagation vector k 1 = (0, 0, 0.090 (1)) . The magnetic structure in the newly identified phase below T N1 is determined as P21/b.1' [b] (00 g) 00s with the magnetic propagation vector k 2 = (0, 0, 0.908 (1)). Finally, the cycloidal spin structure determined in our work is usually associated with electric polarization, thereby making BeCr 2 O 4 a promising multiferroic belonging to the sparsely populated family of sawtooth lattice antiferromagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Incommensurate magnetic ordering and a possible structural transition in EuIn 4

Single crystals of EuIn 4 were grown and 151 Eu Mössbauer spectroscopy, combined with temperature dependent electrical resistance, specific heat and anisotropic magnetization measurements have been used to investigate the magnetic ordering of monoclinic EuIn 4 . Here, we find two closely spaced magnetic transitions (at ~10 K and ~11 K). The initial ordering leads to an incommensurate sinusoidally modulated structure that squares up rapidly on cooling through the lower (10 K) transition. Well above the magnetic transitions we observe an additional transition at ~130 K which may also involve two closely spaced events. This upper transition(s) is most likely structural and offers no suggestion of magnetic nature either in magnetization or Mössbauer data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Anomalous Landau Level Gaps Near Magnetic Transitions in Monolayer WSe 2

First-order phase transitions produce abrupt changes to the character of both ground and excited electronic states. Here we conduct electronic compressibility measurements to map the spin phase diagram and Landau level (LL) energies of monolayer WSe 2 in a magnetic field. We resolve a sequence of first-order phase transitions between completely spin-polarized LLs and states with LLs of both spins. Unexpectedly, the LL gaps are roughly constant over a wide range of magnetic fields below the transitions, which we show reflects spin-polarized ground states with opposite spin excitations. These transitions also extend into compressible regimes, with a sawtooth boundary between full and partial spin polarization. We link these observations to the important influence of LL filling on the exchange energy beyond a smooth density-dependent contribution. Our results show that WSe 2 realizes a unique hierarchy of energy scales where such effects induce reentrant magnetic phase transitions tuned by density and magnetic field. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Learnability Transitions in Monitored Quantum Dynamics via Eavesdropper’s Classical Shadows

Monitored quantum dynamics—unitary evolution interspersed with measurements—has recently emerged as a rich domain for phase structure in quantum many-body systems away from equilibrium. Here we study monitored dynamics from the point of view of an eavesdropper who has access to the classical measurement outcomes, but not to the quantum many-body system. We show that a measure of information flow from the quantum system to the classical measurement record—the —undergoes a phase transition in correspondence with the measurement-induced phase transition (MIPT). This transition determines the eavesdropper’s (in)ability to learn properties of an unknown initial quantum state of the system, given a complete classical description of the monitored dynamics and arbitrary classical computational resources. We make this learnability transition concrete by defining classical shadow protocols that the eavesdropper may apply to this problem, and show that the MIPT manifests as a transition in the sample complexity of various shadow-estimation tasks, which become harder in the low-measurement phase. We focus on three applications of interest: Pauli expectation values (where we find the MIPT appears as a point of optimal learnability for typical Pauli operators), many-body fidelity, and global charge in U ( 1 ) -symmetric dynamics. Our work unifies different manifestations of the MIPT under the umbrella of and gives this notion a general operational meaning via classical shadows. Published by the American Physical Society 2024

Physics↗
DOE OSTI2021

Synthetic Reference-based Transition Optimal Control of Inverter for Surge-Current-Free Rapid Interface to Grid

This article addresses the problem of the transition between objective functions in optimal control for power inverters when switching between standalone and grid-connected modes. The work proposes the use of a synthetic reference during the transition between the corresponding objective functions. Moreover, the authors aim to show that a transition function can be imposed and controlled externally from the main optimal control routine. In the end, the simulation results demonstrate the importance of properly applying the proposed strategy for a smooth transition between the operating modes with minimal surge current. These results contrast with the strategies found in the literature where the smooth transition comes with the price of a few grid cycles to sync.

Roig Greidanus, Mateo D.↗