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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Earth-system-model evaluation of cloud and precipitation occurrence for supercooled and warm clouds over the Southern Ocean's Macquarie Island

Abstract. Over the remote Southern Ocean (SO), cloud feedbacks contribute substantially to Earth system model (ESM) radiative biases. The evolution of low Southern Ocean clouds (cloud-top heights < ∼ 3 km) is strongly modulated by precipitation and/or evaporation, which act as the primary sink of cloud condensate. Constraining precipitation processes in ESMs requires robust observations suitable for process-level evaluations. A year-long subset (April 2016–March 2017) of ground-based profiling instrumentation deployed during the Macquarie Island Cloud and Radiation Experiment (MICRE) field campaign (54.5∘ S, 158.9∘ E) combines a 95 GHz (W-band) Doppler cloud radar, two lidar ceilometers, and balloon-borne soundings to quantify the occurrence frequency of precipitation from the liquid-phase cloud base. Liquid-based clouds at Macquarie Island precipitate ∼ 70 % of the time, with deeper and colder clouds precipitating more frequently and at a higher intensity compared to thinner and warmer clouds. Supercooled cloud layers precipitate more readily than layers with cloud-top temperatures > 0 ∘C, regardless of the geometric thickness of the layer, and also evaporate more frequently. We further demonstrate an approach to employ these observational constraints for evaluation of a 9-year GISS-ModelE3 ESM simulation. Model output is processed through the Earth Model Column Collaboratory (EMC2) radar and lidar instrument simulator with the same instrument specifications as those deployed during MICRE, therefore accounting for instrument sensitivities and ensuring a coherent comparison. Relative to MICRE observations, the ESM produces a smaller cloud occurrence frequency, smaller precipitation occurrence frequency, and greater sub-cloud evaporation. The lower precipitation occurrence frequency by the ESM relative to MICRE contrasts with numerous studies that suggest a ubiquitous bias by ESMs to precipitate too frequently over the SO when compared with satellite-based observations, likely owing to sensitivity limitations of spaceborne instrumentation and different sampling methodologies for ground- versus space-based observations. Despite these deficiencies, the ESM reproduces the observed tendency for deeper and colder clouds to precipitate more frequently and at a higher intensity. The ESM also reproduces specific cloud regimes, including near-surface clouds that account for ∼ 25 % of liquid-based clouds during MICRE and optically thin, non-precipitating clouds that account for ∼ 27 % of clouds with bases higher than 250 m. We suggest that the demonstrated framework, which merges observations with appropriately constrained model output, is a valuable approach to evaluate processes responsible for cloud radiative feedbacks in ESMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Coherence-Induced Deep Thermalization Transition in Random Permutation Quantum Dynamics

We report a phase transition in the projected ensemble—the collection of postmeasurement wave functions of a local subsystem obtained by measuring its complement. The transition emerges in systems undergoing random permutation dynamics, a type of quantum time evolution wherein computational basis states are shuffled without creating superpositions. It separates a phase exhibiting deep thermalization, where the projected ensemble is distributed over Hilbert space in a maximally entropic fashion (Haar random), from a phase where it is minimally entropic (“classical bit-string ensemble”). Crucially, this deep thermalization transition is invisible to the subsystem’s density matrix, which always exhibits thermalization to infinite temperature across the phase diagram. Through a combination of analytical arguments and numerical simulations, we show that the transition is tuned by the total amount of injected by the input state and the measurement basis, and is exhibited robustly across different microscopic models. Our findings represent a novel form of ergodicity-breaking universality in quantum many-body dynamics, characterized not by a failure of regular thermalization, but rather by a failure of deep thermalization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Finite-Temperature Quantum Matter with Rydberg or Molecule Synthetic Dimensions

Synthetic-dimension platforms offer unique pathways for engineering quantum matter. We compute the phase diagram of a many-body system of ultracold atoms (or polar molecules) with a set of Rydberg states (or rotational states) as a synthetic dimension, where the particles are arranged in real space in optical microtrap arrays and interact via dipole-dipole exchange interaction. Using mean-field theory, we find three ordered phases—two are localized in the synthetic dimension, predicted as zero-temperature ground states, and one is a delocalized phase. We characterize them by identifying the spontaneously broken discrete symmetries of the Hamiltonian. We also compute the phase diagram as a function of temperature and interaction strength for both signs of the interaction. For system sizes with more than six synthetic sites and attractive interactions, we find that the thermal phase transitions can be first or second order, which leads to a tricritical point on the phase boundary. Furthermore, by examining the dependence of the tricritical point and other special points of the phase boundary on the synthetic dimension size, we shed light on the physics for thermodynamically large synthetic dimension.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

A room temperature polar magnetic metal

The emergence of long-range magnetic order in noncentrosymmetric compounds has stimulated interest in the possibility of exotic spin transport phenomena and topologically protected spin textures for applications in next-generation spintronics. Polar magnets, with broken symmetries of spatial inversion and time reversal, usually host chiral spin textures. This work reports on a wurtzite-structure polar magnetic metal, identified as AA'-stacked (Fe 0.5 Co 0.5 ) 5 GeTe 2 , which exhibits a Néel-type skyrmion lattice as well as a Rashba-Edelstein effect at room temperature. Atomic resolution imaging of the structure reveals a structural transition as a function of Co-substitution, leading to the emergence of the polar phase at 50% Co. We report this discovery reveals an unprecedented layered polar magnetic system for investigating intriguing spin topologies, and it ushers in a promising new framework for spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic states of the quasi-one-dimensional iron chalcogenide Ba 2 FeS 3

Quasi-one-dimensional iron-based ladders and chains, with the 3d iron electronic density n=6, are attracting considerable attention. Recently, a new iron chain system Ba 2 FeS 3 , also with n=6, was prepared under high-pressure and high-temperature conditions. Here the magnetic and electronic phase diagrams are theoretically studied for this quasi-one-dimensional compound. Based on first-principles calculations, a strongly anisotropic one-dimensional electronic band behavior near the Fermi level was observed. In addition, a three-orbital electronic Hubbard model for this chain was constructed. Introducing the Hubbard and Hund couplings and studying the model via the density matrix renormalization group (DMRG) method, we studied the ground-state phase diagram. A robust staggered ↑-↓-↑-↓ AFM region was unveiled in the chain direction, consistent with our density functional theory (DFT) calculations. Furthermore, at intermediate Hubbard U coupling strengths, this system was found to display an orbital selective Mott phase (OSMP) with one localized orbital and two itinerant metallic orbitals. At very large U/W (W=bandwidth), the system displays Mott insulator characteristics, with two orbitals half-filled and one doubly occupied. Our results for high pressure Ba 2 FeS 3 provide guidance to experimentalists and theorists working on this one-dimensional iron chalcogenide chain material.

1-dimensional systems↗
DOE OSTI2022

Correlated States of 2D Electrons near the Landau Level Filling ν = 1 / 7

The ground state of two-dimensional electron systems (2DESs) at low Landau level filling factors ( ν ≲ 1 / 6 ) has long been a topic of interest and controversy in condensed matter. Following the recent breakthrough in the quality of ultrahigh-mobility GaAs 2DESs, we revisit this problem experimentally and investigate the impact of reduced disorder. In a GaAs 2DES sample with density n = 6.1 × 10 10 / cm 2 and mobility μ = 25 × 10 6 cm 2 / V s , we find a deep minimum in the longitudinal magnetoresistance ( R x x ) at ν = 1 / 7 when T ≃ 104 mK . There is also a clear sign of a developing minimum in R x x at ν = 2 / 13 . While insulating phases are still predominant when ν ≲ 1 / 6 , these minima strongly suggest the existence of fractional quantum Hall states at filling factors that comply with the Jain sequence ν = p / ( 2 m p ± 1 ) even in the very low Landau level filling limit. The magnetic-field-dependent activation energies deduced from the relation R x x ∝ e E A / 2 k T corroborate this view and imply the presence of pinned Wigner solid states when ν ≠ p / ( 2 m p ± 1 ) . Similar results are seen in another sample with a lower density, further generalizing our observations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Fixed-phase diffusion Monte Carlo study of activation gap and skyrmion excitations of a ν = 1 system in the presence of charged impurities

The discrepancy between the theoretically calculated and experimentally measured activation gaps in quantum Hall effect has long been a puzzle. We revisit this issue in the context of the v = 1 quantum Hall state, while also incorporating the skyrmion physics. We find that the finite width and the Landau level mixing effects are not sufficient to explain the observed activation gap. We further show that the presence of charged impurities located adjacent to the quantum well can cause a significant reduction in the activation gap, while also causing a suppression of the skyrmion size.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Impurity effects on local electronic structure of twisted bilayer cuprates

It has been recently proposed that a fully gapped d-wave superconducting phase emerges in twisted bilayer cuprates when twist angle is in the vicinity of 45°. By considering a twisted bilayer model with a moiré cell, we study the local electronic structure around a single-site impurity and impurity dimer in both topologically trivial and nontrivial superconducting states. Here we find that the topological nontrivial superconducting phase is robust against single scalar-potential impurity scattering but is very sensitive to the interlayer impurity dimer scattering, which avoids and enforces the creation of the subgap quasiparticle state. This behavior is intrinsic to the bilayer structure and topological nature, in contrast to the other types of impurities that inevitably bring subgap quasiparticle states. We expect that our results can contribute to the understanding of electronic properties of twisted bilayer cuprates systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Precision-controlled ultrafast electron microscope platforms. A case study: Multiple-order coherent phonon dynamics in 1T-TaSe2 probed at 50 fs–10 fm scales

We report on the first detailed beam tests attesting the fundamental principle behind the development of high-current-efficiency ultrafast electron microscope systems where a radio frequency (RF) cavity is incorporated as a condenser lens in the beam delivery system. To allow for the experiment to be carried out with a sufficient resolution to probe the performance at the emittance floor, a new cascade loop RF controller system is developed to reduce the RF noise floor. Temporal resolution at 50 fs in full-width-at-half-maximum and detection sensitivity better than 1% are demonstrated on exfoliated 1T-TaSe2 system under a moderate repetition rate. To benchmark the performance, multi-terahertz edge-mode coherent phonon excitation is employed as the standard candle. The high temporal resolution and the significant visibility to very low dynamical contrast in diffraction signals via high-precision phase-space manipulation give strong support to the working principle for the new high-brightness femtosecond electron microscope systems.

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

Gapless spin liquid and pair density wave of the Hubbard model on three-leg triangular cylinders

We study the ground state properties of the Hubbard model on three-leg triangular cylinders using large-scale density-matrix renormalization group simulations. At half-filling, we identify an intermediate gapless spin liquid phase, which has one gapless spin mode and algebraic spin–spin correlations but exponential decay scalar chiral–chiral correlations, between a metallic phase at weak coupling and Mott insulating dimer phase at strong interaction. Upon light doping the gapless spin liquid, the system exhibits power-law charge-density-wave (CDW) correlations but short-range single-particle, spin–spin, and chiral–chiral correlations. Similar to CDW correlations, the superconducting correlations also decay in power-law but oscillate in sign as a function of distance, which is consistent with the striped pair-density wave. When further doping the gapless spin liquid phase or doping the dimer order phase, another phase takes over, which has similar CDW correlations but all other correlations decay exponentially.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nematic Correlation Length in Iron-Based Superconductors Probed by Inelastic X-Ray Scattering

Nematicity is ubiquitous in electronic phases of high-T c superconductors, particularly in the Fe-based systems. We used inelastic x-ray scattering to extract the temperature-dependent nematic correlation length ξ from the anomalous softening of acoustic phonon modes in FeSe, underdoped Ba(Fe 0.97 Co 0.03 ) 2 As 2 , and optimally doped Ba(Fe 0.94 Co 0.06 ) 2 As 2 . In all cases, we find that. is well described by a power law (T - T 0 ) -1/2 extending over a wide temperature range. Combined with the previously reported Curie-Weiss behavior of the nematic susceptibility, these results point to the mean-field character of the nematic transition, which we attribute to a sizable nematoelastic coupling that is likely detrimental to superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Theoretical description of atomtronic Josephson junctions in an optical lattice

Experimental realizations of “atomtronic” Josephson junctions have recently been created in annular traps in relative rotation with respect to potential barriers that generate the weak links. If these devices are additionally subjected to an optical lattice potential, then they can incorporate strong-coupling Mott physics within the design, which can modify the behavior and can allow for interesting new configurations of barriers and of superfluid flow patterns. We examine theoretically the behavior of a Bose superfluid in an optical lattice in the presence of an annular trap and a barrier across the annular region which acts as a Josephson junction. As the superfluid is rotated, circulating super-currents appear. Beyond a threshold superfluid velocity, phase slips develop, which generate vortices. We use a finite temperature strong-coupling expansion about the mean-field solution of the Bose Hubbard model to calculate various properties of such devices. Additionally, we discuss some of the rich behavior that can result when there are Mott regions within the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Neutron scattering investigation of proposed Kosterlitz-Thouless transitions in the triangular-lattice Ising antiferromagnet TmMgGaO 4

In this study, we use a variety of neutron scattering techniques to investigate the nature of the unusual magnetism in the compound TmMgGaO 4 . The crystal structure of this material hosts a triangular lattice of Tm spins exhibiting strong geometrical frustration. Theoretical predictions have suggested an unusual topological magnetic phase transition known as a Kosterlitz-Thouless transition at low temperature. By combining and comparing the various neutron scattering results, we have compelling evidence that such a transition indeed occurs at temperatures around 4 K in TmMgGaO 4 . This establishes TmMgGaO 4 as a valuable system to study Kosterlitz-Thouless physics in a dense spin system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Nanoscale Magnetic Domains in Polycrystalline Mn 3 Sn Films Imaged by a Scanning Single-Spin Magnetometer

Noncollinear antiferromagnets with novel magnetic orders, vanishingly small net magnetization, and exotic spin related properties hold enormous promise for developing next-generation, transformative spintronic applications. A major ongoing research focus of this community is to explore, control, and harness unconventional magnetic phases of this emergent material system to deliver state-of-the-art functionalities for modern microelectronics. Here we report direct imaging of magnetic domains of polycrystalline Mn 3 Sn films, a prototypical noncollinear antiferromagnet, using nitrogen-vacancy-based single-spin scanning microscopy. Nanoscale evolution of local stray field patterns of Mn 3 Sn samples are systematically investigated in response to external driving forces, revealing the characteristic “heterogeneous” magnetic switching behaviors in polycrystalline textured Mn 3 Sn films. Furthermore, our results contribute to a comprehensive understanding of inhomogeneous magnetic orders of noncollinear antiferromagnets, highlighting the potential of nitrogen-vacancy centers to study microscopic spin properties of a broad range of emergent condensed matter systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

First-principles study of an S = 1 quasi one-dimensional quantum molecular magnetic material

We use density functional theory to study the structural, magnetic, and electronic structures of the organometallic quantum magnet NiCl 2-4 SC (NH 2 ) 2 (DTN). Recent work has demonstrated the quasi one-dimensional nature of the molecular crystal and studied its quantum phase transitions at low temperatures. The system includes a magnetoelectric (ME) coupling and, when doped with Br, the presence of an exotic Bose-glass state. Using the generalized gradient approximation with inclusion of a van der Waals term to account for weak intermolecular forces and by introducing a Hubbard U term to the total energy, we systematically show that our calculations reproduce the magnetic anisotropy, the intermolecular exchange coupling strength, and the magnetoelectric effect in DTN, which have been observed in previous experiments. Further analysis of the electronic structure gives insight into the underlying magnetic interactions, including what mechanisms may be causing the ME effect. Using this computationally efficient model, we predict what effect applying an electric field might have on the magnetic properties of this quantum magnet.

1-dimensional spin chains↗
DOE OSTI2021

Signature of Many-Body Localization of Phonons in Strongly Disordered Superlattices

Many-body localization (MBL) has attracted significant research attention due to its immunity to thermalization, role in logarithmic entanglement entropy growth, and opportunities to reach exotic quantum orders. However, experimental realization of MBL in solid-state systems has remained challenging. Here we report evidence of a possible phonon MBL phase in disordered GaAs/AlAs superlattices. Through grazing-incidence inelastic X-ray scattering, we observe a strong deviation of the phonon population from equilibrium in disordered samples doped with ErAs nanodots at low temperature, signaling a departure from thermalization. This behavior occurs within finite phonon energy and wavevector windows, suggesting a localization-thermalization crossover. We support our observation by proposing a theoretical model for the effective phonon Hamiltonian in disordered superlattices, and showing that it can be mapped exactly to a disordered 1D Bose-Hubbard model with a known MBL phase. The large on-site repulsion qualitatively explains the experimental findings. Furthermore, our work provides mode-resolved experimental evidence of phonon localization, potentially extending the scope of MBL to disordered solid-state systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Phase-Slip Lines and Anomalous Josephson Effects in Tungsten Nanoscale Cluster-Based Topological Insulator Nanobridges: Implications for Topologically Protected Qubits and Quantum Sensors

Superconducting topological systems formed by a strong 3D topological insulator (TI) in proximity to a conventional s-wave superconductor (SC) have been intensely studied, as they may host Majorana zero modes. However, there are limited experimental realizations of TI-SC systems in which robust superconducting pairing is induced on the surface states of the TI and a topological superconducting state is established. Here, we fabricate a TI-SC system by depositing, via a focused ion beam, tungsten (W) nanoscale clusters on the surface of TI Bi 0.91 Sb 0.09 . We find that the resulting heterostructure supports phase-slip lines (PSLs) that act as effective Josephson junctions (JJs). Here, we probe the response of the system to microwave radiation. We find that for some ac frequencies, and powers, the resulting Shapiro steps’ structure of the voltage–current characteristic exhibits a missing first step and an unexpectedly wide second Shapiro step. The theoretical analysis of the measurements shows that the unusual Shapiro response arises from the interplay between a static JJ and a dynamic one and allows us to identify the conditions under which the missing first step can be attributed to the topological nature of the JJs formed by the PSLs. Our results suggest an approach to induce superconductivity in a TI, a route to realizing highly transparent topological JJs, and show how the response of superconducting systems to microwave radiation can be used to infer the dynamics of PSLs. Highly transparent topological junctions are promising candidates to realize vector field sensors with very high sensitivity. In addition, due to the nontrivial Berry phase of the TI’s surface states such junctions can be in a topological state which is ideal to create topologically protected qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Many-Body Potential for Simulating Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Many-body interactions between polymer-grafted nanoparticles (NPs) play a key role in promoting their assembly into low-dimensional structures within polymer melts, even when the particles are spherical and isotropically grafted. However, capturing such interactions in simulations of NP assembly is very challenging because explicit modeling of the polymer grafts and melt chains is highly computationally expensive, even using coarse-grained models. Here, we develop a many-body potential for describing the effective interactions between spherical polymer-grafted NPs in a polymer matrix through a machine-learning approach. The approach involves using permutationally invariant polynomials to fit two- and three-body interactions derived from the potential of mean force calculations. The potential developed here reduces the computational cost by several orders of magnitude, thereby, allowing us to explore assembly behavior over large length and time scales. We show that the potential not only reproduces previously known assembled phases such as 1D strings and 2D hexagonal sheets, which generally cannot be achieved using isotropic two-body potentials, but can also help discover interesting phases such as networks, clusters, and gels. We demonstrate how each of these assembly morphologies intrinsically arises from a competition between two- and three-body interactions. Our approach for deriving many-body effective potentials can be readily extended to other colloidal systems, enabling researchers to make accurate predictions of their behavior and dissect the role of individual interaction energy terms of the overall potential in the observed behavior.

36 MATERIALS SCIENCE↗