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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Ginzburg-Landau theory for skyrmions in inversion-symmetric magnets with competing interactions

Magnetic skyrmions have attracted considerable attention recently for their huge potential in spintronic applications. Generally skyrmions are big compared to the atomic lattice constant, which allows for the Ginzburg-Landau type description in the continuum limit. This description successfully captures the main experimental observations on skyrmions in B20 compound without inversion symmetry. Skyrmions can also exist in inversion-symmetric magnets with competing interactions. Here, we derive a general Ginzburg-Landau theory for skyrmions in these magnets valid in the long-wavelength limit. We study the unusual static and dynamical properties of skyrmions based on the derived Ginzburg-Landau theory. We show that an easy axis spin anisotropy is sufficient to stabilize a skyrmion lattice. Interestingly, the skyrmion in inversion-symmetric magnets has a new internal degree of freedom associated with the rotation of helicity, i.e., the “spin” of the skyrmion as a particle, in addition to the usual translational motion of skyrmions (orbital motion). The orbital and spin degree of freedoms of an individual skyrmion can couple to each other, and give rise to unusual behavior that is absent for the skyrmions stabilized by the Dzyaloshinskii-Moriya interaction. Finally, the derived Ginzburg-Landau theory provides a convenient and general framework to discuss skyrmion physics and will facilitate the search for skyrmions in inversion-symmetric magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Superconductivity and hybrid soft modes in Ti Se 2

The interplay between superconductivity and charge-density-wave (CDW) order plays a central role in the layered transition-metal dichalcogenides. 1 T -TiSe 2 forms a prime example, featuring superconducting domes on intercalation as well as under applied pressure. Here, we present high energy-resolution inelastic x-ray scattering measurements of the CDW soft phonon mode in intercalated Cu x TiSe 2 and pressurized 1 T -TiSe 2 along with detailed ab-initio calculations for the lattice dynamical properties and phonon-mediated superconductivity. We find that the intercalation-induced superconductivity can be explained by a solely phonon-mediated pairing mechanism, while this is not possible for the superconducting phase under pressure. We argue that a hybridization of phonon and exciton modes in the pairing mechanism is necessary to explain the full observed temperature-pressure-intercalation phase diagram. Finally, these results indicate that 1 T -TiSe 2 under pressure is close to the elusive state of the excitonic insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Thermal fluctuations of the Josephson current in a ring of superconducting grains

Thermal fluctuations of the Josephson current induced by the magnetic flux through a ring of N superconducting grains are studied. When a half-fluxon is threading the ring, I exhibits incoherent transitions between the two degenerate states due to thermal phase slips. In this study, we propose a numerical method to deal with both equilibrium and dynamic properties of Josephson systems. Computed transition rate has the form Γ = A(N) exp[-B(N)/T ], where B(N) agrees with the analytical result derived for the energy barrier associated with phase slips. In the nondegenerate case (e.g., at a quarter-fluxon) the equilibrium value of I decreases with T due to harmonic excitations and then gets destroyed by phase slips.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Gapped excitation in dense Kondo lattice CePtZn

In this work, we report on neutron scattering and muon spin relaxation measurements of dense Kondo lattice CePtZn. The system develops long-range incommensurate magnetic order as the temperature is reduced below TN=1.75 K. Interestingly, a Q-independent gap at E=0.65 meV in the energy spectrum is found to co-exist with the long-range magnetic order. The gap persists to a very high temperature of T≃100 K. The Q-independent characteristic and its persistence to high temperature hint that the gapped excitation may be manifesting the excited state of the ground-state doublet of the crystal-field energy levels. However, the observed broadness in the linewidth with distinct temperature and field dependencies makes it a nontrivial phenomenon. Qualitative analysis of the experimental data suggests the possible co-existence of a local critical behavior, which is onset near the critical field of H≃3 T, with the crystal-field excitation in the dynamic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Vortex creep at very low temperatures in single crystals of the extreme type-II Rh 9 In 4 S 4

Here, we image vortex creep at very low temperatures using scanning tunneling microscopy in the superconductor Rh 9 In 4 S 4 (T c = 2.25 K). We measure the superconducting gap of Rh 9 In 4 S 4 , finding Δ ≈ 0.33 meV, and image a hexagonal vortex lattice up to close to H c2 observing slow vortex creep at temperatures as low as 150 mK. We estimate thermal and quantum barriers for vortex motion and show that thermal fluctuations likely cause vortex creep, in spite of being at temperatures T/T c < 0.1. We study creeping vortex lattices by making images during long times and show that the vortex lattice remains hexagonal during creep with vortices moving along one of the high-symmetry axes of the vortex lattice. Furthermore, the creep velocity changes with the scanning window suggesting that creep depends on the local arrangements of pinning centers. Vortices fluctuate on small-scale erratic paths, indicating that the vortex lattice makes jumps trying different arrangements during its travel along the main direction for creep. Lastly, the images provide a visual account of how vortex lattice motion maintains hexagonal order, while showing dynamic properties characteristic of a glass.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Local quantum criticality of a one-dimensional Kondo insulator model

Here, the continuous quantum phase transition and the nature of the quantum critical point (QCP) in a modified Kondo lattice model with Ising anisotropic exchange interactions are studied within the density-matrix renormalization group algorithm. We investigate the effect of quantum fluctuations on critical Kondo destruction QCP by probing static and dynamic properties of the magnetic order and the Kondo effect. In particular, we identify that local Kondo physics itself becomes critical at the magnetic phase transition point, providing unbiased evidences for local quantum criticality between two insulators without involving the Fermi surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Projections of two-particle correlations onto transverse rapidity in Au+Au collisions at $\sqrt{s_{NN}}$ = 200 GeV at STAR

Two-particle correlation measurements projected onto two-dimensional, transverse rapidity coordinates (y T1 ,y T2 ), allow access to dynamical properties of the QCD medium produced in relativistic heavy-ion collisions that angular correlation measurements are not sensitive to. Here, we report non-identified charged-particle correlations for Au + Au minimum-bias collisions at $\sqrt{s_{NN}}$ = 200 GeV taken by the STAR experiment at the Relativistic Heavy-Ion Collider (RHIC). Correlations are presented as 2D functions of transverse rapidity for like-sign, unlike-sign and all charged-particle pairs, as well as for particle pairs whose relative azimuthal angles lie on the near-side, the away-side, or at all relative azimuth. The correlations are constructed using charged particles with transverse momentum p T ≥ 0.15 GeV/c, pseudorapidity from –1 to 1, and azimuthal angles from –π to π. The significant correlation structures that are observed evolve smoothly with collision centrality. The major correlation features include a saddle shape plus a broad peak with maximum near y T ≈ 3, corresponding to p T ≈ 1.5 GeV/c. The broad peak is observed in both like- and unlike-sign charge combinations and in near- and away-side relative azimuthal angles. The all-charge, all-azimuth correlation measurements are compared with the theoretical predictions of HIJING and EPOS. The results indicate that the correlations for peripheral to mid-central collisions can be approximately described as a superposition of nucleon + nucleon collisions with minimal effects from the QCD medium. Strong medium effects are indicated in mid- to most-central collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Statistics and sensitivity of axion wind detection with the homogeneous precession domain of superfluid helium-3

The homogeneous precession domain (HPD) of superfluid He 3 has recently been identified as a detection medium which might provide sensitivity to the axion-nucleon coupling g a N N competitive with, or surpassing, existing experimental proposals. In this work, we make a detailed study of the statistical and dynamical properties of the HPD system in order to make realistic projections for a full-fledged experimental program. We include the effects of clock error and measurement error in a concrete readout scheme using superconducting qubits and quantum metrology. This work also provides a more general framework to describe the statistics associated with the axion gradient coupling through the treatment of a transient resonance with a nonstationary background in a time-series analysis. Incorporating an optimal data-taking and analysis strategy, we project a sensitivity approaching g a N N ∼ 10 − 12 GeV − 1 across a decade in axion mass. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Characterizing different motility-induced regimes in active matter with machine learning and noise

Here we examine motility-induced phase separation (MIPS) in two-dimensional run-and-tumble disk systems using both machine learning and noise fluctuation analysis. Our measures suggest that within the MIPS state there are several distinct regimes as a function of density and run time, so that systems with MIPS transitions exhibit an active fluid, an active crystal, and a critical regime. The different regimes can be detected by combining an order parameter extracted from principal component analysis with a cluster stability measurement. The principal component-derived order parameter is maximized in the critical regime, remains low in the active fluid, and has an intermediate value in the active crystal regime. We demonstrate that machine learning can better capture dynamical properties of the MIPS regimes compared to more standard structural measures such as the maximum cluster size. The different regimes can also be characterized via changes in the noise power of the fluctuations in the average speed. In the critical regime, the noise power passes through a maximum and has a broad spectrum with a 1/f 1.6 signature, similar to the noise observed near depinning transitions or for solids undergoing plastic deformation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Carbon trimer as a 2 eV single-photon emitter candidate in hexagonal boron nitride: A first-principles study

The generation of single-photon emitters in hexagonal boron nitride around 2 eV emission is experimentally well recognized; however, the atomic nature of these emitters is unknown. In this Letter, we use first-principles calculations to demonstrate that carbon trimer substitutional defect (C 2 C N ) is a possible source of 2 eV single-photon emitter in hBN. Here, we showcase the calculations of a complete set of static and dynamical properties related to quantum defects, including exciton-defect couplings and electron-phonon interactions, from both density functional theory and many-body perturbation theory. In particular, we show that it is critical to consider both radiative and nonradiative processes when comparing with experimental lifetime for known 2 eV emitters. We find that C 2 C N has several key physical properties matching the ones of experimentally observed single-photon emitters. These include the zero-phonon line (2.13 eV), Huang-Rhys factor (1.35), photoluminescence lifetime (2.19 ns), phonon-sideband energy (180 meV), and photoluminescence spectrum. The identification of defect candidates for 2 eV emission paves the way for controllable single-photon emission generation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nuclear Responses with Neural-Network Quantum States

We introduce a variational Monte Carlo framework that combines neural-network quantum states with the Lorentz integral transform technique to compute the dynamical properties of self-bound quantum many-body systems in continuous Hilbert spaces. While broadly applicable to various quantum systems, including atoms and molecules, in this initial application we focus on the photoabsorption cross section of light nuclei, where benchmarks against numerically exact techniques are available. Our accurate theoretical predictions are complemented by robust uncertainty quantification, enabling meaningful comparisons with experiments. Here, we demonstrate that a relatively simple nuclear Hamiltonian—based on a leading-order pionless EFT expansion and known to accurately reproduce ground-state energies of nuclei with 𝐴 ≤ 40—also provides a reliable description of the photoabsorption cross section.

Ab initio calculations↗
DOE OSTI2025

Spin Dynamics of Triple-𝐐 Magnetic Orderings in a Triangular Lattice: Implications for Multi-𝐐 Orderings in General Two-Dimensional Lattices

Multi-𝐐 magnetic structures on two-dimensional (2D) lattices provide a key route to realizing topological physics in 2D magnetism. A major experimental challenge is to unambiguously confirm their formation by excluding the possibility of topologically trivial multidomain single- or double-𝐐 magnetic orders, which cannot be distinguished using conventional diffraction techniques. Here, we propose that long-wavelength spin dynamics offers a universal diagnostic for triangular lattices: Triple-𝐐 orders that preserve rotational symmetry and single- or double-𝐐 orders that break it exhibit qualitatively distinct anisotropies in their Goldstone-mode velocities, stemming from fundamental differences in their underlying spin configurations. We validate this concept using the metallic triangular-lattice antiferromagnet Co 0.325 ⁢TaS 2 , which hosts both a stripe-type single-𝐐 state and a triple-𝐐 tetrahedral ordering at different temperatures. Using inelastic neutron-scattering and spin dynamics simulations, we first refine the spin Hamiltonian by fitting the paramagnetic excitation spectra, allowing us to develop an unbiased model independent of magnetic ordering. We then show that the observed velocity profiles of the Goldstone modes agree with the high-temperature model’s predictions: markedly anisotropic for the single-𝐐 phase and near isotropic for the triple-𝐐 phase. Importantly, this contrast persists across various exchange parameters, highlighting its model-independent nature and suggesting potential applicability to other 2D lattice systems. Beyond the long-wavelength regime, we present a substantial discrepancy between the measured and simulated magnon spectra exclusively in the triple-𝐐 phase. We attribute this discrepancy to magnon energy renormalization arising from order-of-magnitude-enhanced magnon-magnon interactions in the triple-𝐐 phase, due to its noncollinear configuration. This work provides universal insight into the dynamical properties of topological multi-𝐐 magnetic orderings in 2D lattice structures, offering a broadly applicable diagnostic to distinguishing them from topologically trivial single- or double-𝐐 counterparts. The unequivocal confirmation of the triple-𝐐 structure in Co 0.325 ⁢TaS 2 further establishes it as a prominent material platform for exploring topological spin textures in the genuine 2D limit.

Park, Pyeongjae [Oak Ridge National Laboratory (OR↗
DOE OSTI2025

Spin fluctuations, absence of magnetic order, and crystal electric field studies in the Yb 3+ -based triangular lattice antiferromagnet Rb 3 ⁢Yb⁢(VO 4 ) 2

Here, we report a comprehensive experimental investigation of the structural, thermodynamic, static, and dynamic properties of a triangular lattice antiferromagnet Rb 3 ⁢Yb(VO 4 ) 2 . Through the analysis of magnetic susceptibility, magnetization, and specific heat, complemented by crystal electric field (CEF) calculations, we confirm the Kramers' doublet with effective spin 𝐽 eff = 1/2 ground state. Magnetic susceptibility and isothermal magnetization analysis reveal a weak antiferromagnetic interaction among the 𝐽 eff = 1/2 spins, characterized by a small Curie-Weiss temperature (𝜃$^{\textrm{LT}}_{\textrm{CW}}$ ≃−0.26 K) or a reduced exchange coupling (𝐽/𝑘 B ≃ 0.18 K). The 51 V NMR spectra and spin-lattice relaxation rate (1/𝑇 1 ) show no evidence of magnetic long-range-order down to 1.6 K but reflect strong influence of CEF excitations in the intermediate temperatures. At low temperatures, 1/𝑇 1 ⁡(𝑇) shows pronounced frequency dependence and 1/𝑇 1 vs field at different temperatures follows the scaling behavior, highlighting the role of paramagnetic fluctuations. The CEF calculations using the point charge approximation divulge a large energy gap ( ∼18.61 meV) between the lowest and second lowest energy doublets, further establishing Kramers' doublet as the ground state. Our calculations also reproduce the experimental magnetization and specific heat data and indicate an in-plane magnetic anisotropy. These findings position Rb 3⁢ Yb(VO 4 ) 2 as an ideal candidate to explore intrinsic quantum fluctuations and possible quantum spin-liquid physics in a Yb 3+ -based triangular lattice antiferromagnet.

Sebastian, Sebin J. [Indian Institute of Science E↗
DOE OSTI2025

A Novel Secondary Frequency Regulation with Optimal Priority Selection of AGC Contributions

Automatic generation control (AGC) is used to maintain acceptable frequencies during operation owing to fluctuations in load and variable resources. In conventional industry applications, the AGC signal is allocated to each generator according to the predispatched frequency regulation capacity or the order of economic efficiency. However, with the increasing integration of inverter-based resources (IBRs), the retirement of conventional synchronous generators (SGs) has posed new challenges to frequency control schemes because fewer of them are optional for AGC regulation. In this paper, we propose a novel model predictive control (MPC)-based frequency regulation model to reduce control cost and ensure stability, by considering different critical dynamic factors when optimally selecting the AGC units. The proposed control model – developed in a general form – comprehensively embeds characteristics such as generator ramping rates, reserve capacity, and operation cost. The model predictive control–based two-timescale AGC scheme enhances the capability of immunizing the power disturbance from types of resources by coordinating the control signals between faster IBRs and slower SGs. The case study’s proposed model is verified to be effective in synergistically enforcing different dynamic properties of AGC units into the frequency regulation scheme.

Jiang, Sufan [The University of North Carolina at ↗
DOE OSTI2017

Quantitative Assessment of Transportation Network Vulnerability with Dynamic Traffic Simulation Methods

Transportation networks are critical to the social and economic function of nations. Given the continuing increase in the populations of cities throughout the world, the criticality of transportation infrastructure is expected to increase. Thus, it is ever more important to mitigate congestion as well as to assess the impact disruptions would have on individuals who depend on transportation for their work and livelihood. Moreover, several government organizations are responsible for ensuring transportation networks are available despite the constant threat of natural disasters and terrorist activities. Most of the previous transportation network vulnerability research has been performed in the context of static traffic models, many of which are formulated as traditional optimization problems. However, transportation networks are dynamic because their usage varies over time. Thus, more appropriate methods to characterize the vulnerability of transportation networks should consider their dynamic properties. This paper presents a quantitative approach to assess the vulnerability of a transportation network to disruptions with methods from traffic simulation. Our approach can prioritize the critical links over time and is generalizable to the case where both link and node disruptions are of concern. We illustrate the approach through a series of examples. Our results demonstrate that the approach provides quantitative insight into the time varying criticality of links. Such an approach could be used as the objective function of less traditional optimization methods that use simulation and other techniques to evaluate the relative utility of a particular network defense to reduce vulnerability and increase resilience.

Shekar, Venkateswaran↗
DOE OSTI2014

Dynamic High-temperature Testing of an Iridium Alloy in Compression at High-strain Rates: Dynamic High-temperature Testing

Iridium alloys have superior strength and ductility at elevated temperatures, making them useful as structural materials for certain high-temperature applications. However, experimental data on their high-strain -rate performance are needed for understanding high-speed impacts in severe environments. Kolsky bars (also called split Hopkinson bars) have been extensively employed for high-strain -rate characterization of materials at room temperature, but it has been challenging to adapt them for the measurement of dynamic properties at high temperatures. In our study, we analyzed the difficulties encountered in high-temperature Kolsky bar testing of thin iridium alloy specimens in compression. We made appropriate modifications using the current high-temperature Kolsky bar technique in order to obtain reliable compressive stress–strain response of an iridium alloy at high-strain rates (300–10 000 s -1 ) and temperatures (750 and 1030°C). The compressive stress–strain response of the iridium alloy showed significant sensitivity to both strain rate and temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-G-BRA-08: Diaphragm Motion Tracking Based On KV CBCT Projections with a Constrained Linear Regression Optimization

Purpose: To develop a novel strategy to extract the respiratory motion of the thoracic diaphragm from kilovoltage cone beam computed tomography (CBCT) projections by a constrained linear regression optimization technique. Methods: A parabolic function was identified as the geometric model and was employed to fit the shape of the diaphragm on the CBCT projections. The search was initialized by five manually placed seeds on a pre-selected projection image. Temporal redundancies, the enabling phenomenology in video compression and encoding techniques, inherent in the dynamic properties of the diaphragm motion together with the geometrical shape of the diaphragm boundary and the associated algebraic constraint that significantly reduced the searching space of viable parabolic parameters was integrated, which can be effectively optimized by a constrained linear regression approach on the subsequent projections. The innovative algebraic constraints stipulating the kinetic range of the motion and the spatial constraint preventing any unphysical deviations was able to obtain the optimal contour of the diaphragm with minimal initialization. The algorithm was assessed by a fluoroscopic movie acquired at anteriorposterior fixed direction and kilovoltage CBCT projection image sets from four lung and two liver patients. The automatic tracing by the proposed algorithm and manual tracking by a human operator were compared in both space and frequency domains. Results: The error between the estimated and manual detections for the fluoroscopic movie was 0.54mm with standard deviation (SD) of 0.45mm, while the average error for the CBCT projections was 0.79mm with SD of 0.64mm for all enrolled patients. The submillimeter accuracy outcome exhibits the promise of the proposed constrained linear regression approach to track the diaphragm motion on rotational projection images. Conclusion: The new algorithm will provide a potential solution to rendering diaphragm motion and ultimately improving tumor motion management for radiation therapy of cancer patients.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Linear rheology and structure of molecular bottlebrushes with short side chains

We investigate the microstructure and linear viscoelasticity of model molecular bottlebrushes (BBs) using rheological and small-angle X-ray and neutron scattering measurements. Our polymers have short atactic polypropylene (aPP) side chains of molecular weight ranging from 119 g/mol to 259 g/mol and narrow molecular weight distribution (M{sub w}/M{sub n} 1.02–1.05). The side chain molecular weights are a small fraction of the entanglement molecular weight of the corresponding linear polymer (M{sub e,aPP}= 7.05 kg/mol), and as such, they are unentangled. The morphology of the aPP BBs is characterized as semiflexible thick chains with small side chain interdigitation. Their dynamic master curves, obtained by time-temperature superposition, reveal two sequential relaxation processes corresponding to the segmental relaxation and the relaxation of the BB backbone. Due to the short length of the side chains, their fast relaxation could not be distinguished from the glassy relaxation. The fractional free volume is an increasing function of the side chain length (N{sub SC}). Therefore, the glassy behavior of these polymers as well as their molecular friction and dynamic properties are influenced by their N{sub SC} values. The apparent flow activation energies are a decreasing function of N{sub SC}, and their values explain the differences in zero-shear viscosity measured at different temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗