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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Freezing of the Lattice in the Kagome Lattice Heisenberg Antiferromagnet Zn-Barlowite ZnCu 3 (OD) 6 FBr

Here, we use 79 Br nuclear quadrupole resonance (NQR) to demonstrate that ultraslow lattice dynamics set in below the temperature scale set by the Cu-Cu superexchange interaction J (≃160 K) in the kagome lattice Heisenberg antiferromagnet Zn-barlowite. The lattice completely freezes below 50 K, and 79 Br NQR line shapes become twice broader due to increased lattice distortions. Moreover, the frozen lattice exhibits an oscillatory component in the transverse spin echo decay, a typical signature of pairing of nuclear spins by indirect nuclear spin-spin interaction. This indicates that some Br sites form structural dimers via a pair of kagome Cu sites prior to the gradual emergence of spin singlets below ~30 K. Our findings underscore the significant roles played by subtle structural distortions in determining the nature of the disordered magnetic ground state of the kagome lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Numerical calculation of Coulomb corrections in forward elastic 𝑝↑⁢𝑝 and 𝑝↑⁢𝐴 scattering

The analysis of RHIC hydrogen gas jet target polarimeter measurements of transverse analyzing powers 𝐴 N ⁡(𝑡) in proton-nucleus scattering requires accurate Coulomb corrections to both spin-flip and nonflip amplitudes. These corrections must cover a wide range of nuclear charges 𝑍 and form factor slopes, with flexibility to vary form factors during data fitting. To avoid technically challenging calculations involving a small but finite fictitious photon mass, the Coulomb correction to the nonflip electromagnetic amplitude with an exponential form factor was related to the corresponding correction for the spin-flip amplitude. This approach allows soft photon contributions to all amplitudes, including those with nonexponential form factors, to be calculated in the massless photon limit using only analytical expressions and numerically stable integrals with nonsingular integrands and finite integration limits. In addition, an absorptive correction to the spin-flip electromagnetic amplitude, which plays a critical role in spin effects in forward polarized proton-nucleus scattering, was accurately evaluated.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Direct observation of a dynamical glass transition in a nanomagnetic artificial Hopfield network

Spin glasses, generally defined as disordered systems with randomized competing interactions, are a widely investigated complex system. Theoretical models describing spin glasses are broadly used in other complex systems, such as those describing brain function, error-correcting codes5 or stock-market dynamics. This wide interest in spin glasses provides strong motivation to generate an artificial spin glass within the framework of artificial spin ice systems. Here we present the experimental realization of an artificial spin glass consisting of dipolar coupled single-domain Ising-type nanomagnets arranged onto an interaction network that replicates the aspects of a Hopfield neural network. Using cryogenic X-ray photoemission electron microscopy (XPEEM), we performed temperature-dependent imaging of thermally driven moment fluctuations within these networks and observed characteristic features of a two-dimensional Ising spin glass. Specifically, the temperature dependence of the spin glass correlation function follows a power-law trend predicted from theoretical models on two-dimensional spin glasses. As a result, we observe clear signatures of the hard-to-observe rugged spin glass free energy in the form of sub-aging, out-of-equilibrium autocorrelations and a transition from stable to unstable dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum Spin Probe of Single Charge Dynamics

Electronic defects in semiconductors form the basis for emerging quantum technologies, but many defect centers are difficult to access at the single-particle level. A method for probing optically inactive spin defects would reveal semiconductor physics at the atomic scale and advance the study of new quantum systems. Here, we exploit the intrinsic correlation between the charge and spin states of defect centers to measure the charge populations and dynamics of single substitutional nitrogen spin defects in diamond. By probing their steady-state spin population, read out at the single-defect level with a nearby nitrogen vacancy center, we directly measure the defect ionization-corroborated by first-principles calculations-an effect we do not have access to with traditional coherence-based quantum sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Heat conduction in magnetic insulators via hybridization of acoustic phonons and spin-flip excitations

We present a comprehensive study on the longitudinal magnetothermal transport in a paramagnetic effective spin-1/2 magnetic insulator CsYbSe 2 , by introducing a minimal model requiring only Zeeman splitting and magnetoelastic coupling. We use it to argue that hybridized excitations—formed from acoustic phonons and localized spin-flip-excitations across the Zeeman gap of the crystal electric field ground doublet—are responsible for a nonmonotonic field dependence of longitudinal thermal conductivity. Beyond highlighting a starring role for phonons, our results raise the prospect of universal magnetothermal transport phenomena in paramagnetic insulators that originate from simple features shared across many systems. Published by the American Physical Society 2025

Pocs, Christopher A.↗
DOE OSTI2021

Accurately simulating nine-dimensional phase space of relativistic particles in strong fields

Next-generation high-power laser systems that can be focused to ultra-high intensities exceeding 10 23 W/cm 2 are enabling new physics regimes and applications. The physics of how these lasers interact with matter is highly nonlinear, relativistic, and can involve lowest-order quantum effects. The current tool of choice for modeling these interactions is the particle-in-cell (PIC) method. In the presence of strong electromagnetic fields, the motion of charged particles and their spin is affected by radiation reaction (either the semi-classical or the quantum limit). Standard (PIC) codes usually use Boris or similar operator-splitting methods to advance the particles in standard phase space. These methods have been shown to require very small time steps in the strong-field regime in order to obtain accurate results. In addition, some problems require tracking the spin of particles, which creates a nine-dimensional (9D) particle phase space, i.e., (x, u, s). Therefore, numerical algorithms that enable high-fidelity modeling of the 9D phase space in the strong-field regime (where both the spin and momentum evolution are affected by radiation reaction) are desired. Here we present a new particle pusher that works in 9D and 6D phase space (i.e., with and without spin) based on analytical rather than leapfrog solutions to the momentum and spin advance from the Lorentz force, together with the semi-classical form of radiation reaction in the Landau-Lifshitz equation and spin evolution given by the Bargmann-Michel-Telegdi equation. Analytical solutions for the position advance are also obtained, but these are not amenable to the staggering of space and time in standard PIC codes. These analytical solutions are obtained by assuming a locally uniform and constant electromagnetic field during a time step. The solutions provide the 9D phase space advance in terms of a particle's proper time, and a mapping is used to determine the proper time step duration for each particle as a function of the lab frame time step. Due to the analytical integration of particle trajectory and spin orbit, the constraint on the time step needed to resolve trajectories in ultra-high fields can be greatly reduced. The time step required in a PIC code for accurately advancing the fields may provide additional constraints. We present single-particle simulations to show that the proposed particle pusher can greatly improve the accuracy of particle trajectories in 6D or 9D phase space for given laser fields. We have implemented the new pusher into the PIC code Osiris. Example simulations show that the proposed pusher provides improvement for a given time step. A discussion on the numerical efficiency of the proposed pusher is also provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Monolayer 1T-LaN 2 : Dirac spin-gapless semiconductor of p -state and Chern insulator with a high Chern number

Two-dimensional transition-metal dinitrides have attracted considerable attention in recent years due to their rich magnetic properties. Here, we focus on rare-earth-metal elements and propose a monolayer of lanthanum dinitride with a 1T structural phase, 1T-LaN 2 . Using first-principles calculations, we systematically investigated the structure, stability, magnetism, and band structure of this material. It is a flexible and stable monolayer exhibiting a low lattice thermal conductivity, which is promising for future thermoelectric devices. Here, the monolayer shows the ferromagnetic ground state with a spin-polarized band structure. Two linear spin-polarized bands cross at the Fermi level forming a Dirac point, which is formed by the p atomic orbitals of the N atoms, indicating that monolayer 1T-LaN 2 is a Dirac spin-gapless semiconductor of p-state. When the spin–orbit coupling is taken into account, a large nontrivial indirect bandgap (86/354 meV) can be opened at the Dirac point, and three chiral edge states are obtained, corresponding to a high Chern number of C = 3, implying that monolayer 1T-LaN 2 is a Chern insulator. Importantly, this kind of band structure is expected to occur in more monolayers of rare-earth-metal dinitride with a 1T structural phase.

2D materials↗
DOE OSTI2022

Spiral Spin Liquid on a Honeycomb Lattice

Spiral spin liquids are correlated paramagnetic states with degenerate propagation vectors forming a continuous ring or surface in reciprocal space. On the honeycomb lattice, spiral spin liquids present a novel route to realize emergent fracton excitations, quantum spin liquids, and topological spin textures, yet experimental realizations remain elusive. Here, using neutron scattering, we show that a spiral spin liquid is realized in the van der Waals honeycomb magnet FeCl3. A continuous ring of scattering is directly observed, which indicates the emergence of an approximate U(1) symmetry in momentum space. Our work demonstrates that spiral spin liquids can be achieved in two-dimensional systems and provides a promising platform to study the fracton physics in spiral spin liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Toward the determination of 𝐶⁢𝑃-odd pion-nucleon couplings

The nucleon matrix elements (NMEs) associated with quark chromomagnetic dipole moments (cMDMs) play a crucial role in determining the 𝐶𝑃-odd pion-nucleon couplings induced by quark chromoelectric dipole moments. In recent years, it has been argued that the NMEs of cMDMs can be related to the third moment of the nucleon's higher-twist (specifically, twist-3) parton distribution function (PDF) 𝑒⁡(𝑥), which can, in principle, be measured through dihadron production in semi-inclusive deep inelastic scattering processes. By applying the spin-flavor expansion to the cMDM operators in the large-𝑁 𝑐 limit, where 𝑁 𝑐 is the number of quark colors, we show that the NMEs receive contributions not only from the twist-3 PDF 𝑒⁡(𝑥) but also from an additional, previously neglected nucleon form factor. Incorporating constraints from the spin-flavor expansion, recent experimental data on 𝑒⁡(𝑥), as well as model calculations of 𝑒⁡(𝑥), we estimate the NMEs of the cMDM operators. Our analysis indicates that the NMEs are dominated by the nucleon form factors, and the cMDM contributions to pion-nucleon couplings can be comparable to those from the quark sigma terms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

A quantum liquid of magnetic octupoles on the pyrochlore lattice

Spin liquids are highly correlated yet disordered states formed by the entanglement of magnetic dipoles. Theories define such states using gauge fields and deconfined quasiparticle excitations that emerge from a local constraint governing the ground state of a frustrated magnet. For example, the ‘2-in–2-out’ ice rule for dipole moments on a tetrahedron can lead to a quantum spin ice in rare-earth pyrochlores. However, $f$-electron ions often carry multipole degrees of freedom of higher rank than dipoles, leading to intriguing behaviours and ‘hidden’ orders. In this paper we show that the correlated ground state of a Ce 3+ -based pyrochlore, Ce 2 Sn 2 O 7 , is a quantum liquid of magnetic octupoles. Our neutron scattering results are consistent with a fluid-like state where degrees of freedom have a more complex magnetization density than that of magnetic dipoles. The nature and strength of the octupole–octupole couplings, together with the existence of a continuum of excitations attributed to spinons, provides further evidence for a quantum ice of octupoles governed by a ‘2-plus–2-minus’ rule. Our work identifies Ce 2 Sn 2 O 7 as a unique example of frustrated multipoles forming a ‘hidden’ topological order, thus generalizing observations on quantum spin liquids to multipolar phases that can support novel types of emergent fields and excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Variational study of the Kitaev-Heisenberg-Gamma model

Here we compute the low-energy excitation spectrum and the dynamical spin structure factor of the Kitaev-Heisenberg-Gamma model through a variational approach based on the exact fractionalized excitations of the pure Kitaev honeycomb model. This novel approach reveals the physical reason for the asymmetric stability of the Kitaev spin liquid phases around the ferromagnetic and antiferromagnetic Kitaev limits. Moreover, we demonstrate that the fractionalized excitations form bound states in specific regions of each Kitaev spin liquid phase and that certain phase transitions induced by Heisenberg and Gamma interactions are driven by the condensation of such a bound state. Remarkably, this bound state appears as a sharp mode in the dynamical spin structure factor, while its condensation patterns at the appropriate phase transitions provide a simple explanation for the magnetically ordered phases surrounding each Kitaev spin liquid phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Synthetic antiferromagnet-based spin Josephson oscillator

Two easy-plane ferromagnetic layers, antiferromagnetically coupled through a thin nonmagnetic metal layer, form the magnetic analog of a Josephson junction. Additionally, a current driven spin chemical potential drives a 2π precession of the in-plane magnetization of each ferromagnet. The participation of the full magnetic moment in the 2π precession maximizes the giant magnetoresistance and the ac output power. The frequency can be continuously tuned by a dc bias. An applied ac bias results in a time-averaged magnetoresistance with Shapiro-like steps. The multistate mode-locking behavior exhibited by the Shapiro steps may be exploited for applications such as microwave detectors and neuromorphic computing. They may also serve as an experimental signature of spin superfluidity.

42 ENGINEERING↗
DOE OSTI2020

Improving operational flexibility of integrated energy system with uncertain renewable generations considering thermal inertia of buildings

Insufficient flexibility in system operation caused by traditional "heat-set" operating modes of combined heat and power (CHP) units in winter heating periods is a key issue that limits renewable energy consumption. In order to reduce the curtailment of renewable energy resources through improving the operational flexibility, a novel optimal scheduling model based on chance-constrained programming (CCP), aiming at minimizing the lowest generation cost, is proposed for a small-scale integrated energy system (IES) with CHP units, thermal power units, renewable generations and representative auxiliary equipments. In this model, due to the uncertainties of renewable generations including wind turbines and photovoltaic units, the probabilistic spinning reserves are supplied in the form of chance-constrained; from the perspective of user experience, a heating load model is built with consideration of heat comfort and inertia in buildings. To solve the model, a solution approach based on sequence operation theory (SOT) is developed, where the original CCP-based scheduling model is tackled into a solvable mixed-integer linear programming (MILP) formulation by converting a chance constraint into its deterministic equivalence class, and thereby is solved via the CPLEX solver. We report the simulation results on the modified IEEE 30-bus system demonstrate that the presented method manages to improve operational flexibility of the IES with uncertain renewable generations by comprehensively leveraging thermal inertia of buildings and different kinds of auxiliary equipments, which provides a fundamental way for promoting renewable energy consumption.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Anion-Activated Bases and Nucleophiles Characterized by Photoelectron Spectroscopy

In this study, negative ion photoelectron spectra at 20 K along with ab initio (CCSD(T)) and M06-2X density function theory calculations are reported for a series of six basic and nucleophilic pyridine derivatives with an anionic substituent (i.e., 3- and 4-PyrBX 3 –, where X = F, 4-t-BuC 6 H 4 , 4- MeOC 6 H 4 , and 3,5-(MeO) 2 C 6 H 3 ). Vertical detachment energies spanning from 4.50 – 5.85 eV are observed and well reproduced by M06-2X/aug-cc-pVTZ and CCSD(T)/maug-cc-pVTZ computations. Surprisingly, the VDEs are found to correlate with the S N 2 reactivity of the PPh 4 + salts of the anions with 1-iodooctane. Spin densities of the neutral structures formed from the anionic species are also reported and indicate where the excess electron density in the anions resides and likely cation-interaction sites in their corresponding salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Thermal Hysteresis and Ordering Behavior of Magnetic Skyrmion Lattices

The physics of phase transitions in two-dimensional (2D) systems underpins research in diverse fields including statistical mechanics, nanomagnetism, and soft condensed matter. However, many aspects of 2D phase transitions are still not well understood, including the effects of interparticle potential, polydispersity, and particle shape. Magnetic skyrmions are chiral spin-structure quasi-particles that form two-dimensional lattices. Here, in this study, we show, by real-space imaging using in situ cryo-Lorentz transmission electron microscopy coupled with machine learning image analysis, the ordering behavior of Néel skyrmion lattices in van der Waals Fe 3 GeTe 2 . We demonstrate a distinct change in the skyrmion size distribution during field-cooling, which leads to a loss of lattice order and an evolution of the skyrmion liquid phase. Remarkably, the lattice order is restored during field heating and demonstrates a thermal hysteresis. This behavior is explained by the skyrmion energy landscape and demonstrates the potential to control the lattice order in 2D phase transitions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Inducing a tunable skyrmion-antiskyrmion system through ion beam modification of FeGe films

Abstract Skyrmions and antiskyrmions are nanoscale swirling textures of magnetic moments formed by chiral interactions between atomic spins in magnetic noncentrosymmetric materials and multilayer films with broken inversion symmetry. These quasiparticles are of interest for use as information carriers in next-generation, low-energy spintronic applications. To develop skyrmion-based memory and logic, we must understand skyrmion-defect interactions with two main goals—determining how skyrmions navigate intrinsic material defects and determining how to engineer disorder for optimal device operation. Here, we introduce a tunable means of creating a skyrmion-antiskyrmion system by engineering the disorder landscape in FeGe using ion irradiation. Specifically, we irradiate epitaxial B20-phase FeGe films with 2.8 MeV Au 4+ ions at varying fluences, inducing amorphous regions within the crystalline matrix. Using low-temperature electrical transport and magnetization measurements, we observe a strong topological Hall effect with a double-peak feature that serves as a signature of skyrmions and antiskyrmions. These results are a step towards the development of information storage devices that use skyrmions and antiskyrmions as storage bits, and our system may serve as a testbed for theoretically predicted phenomena in skyrmion-antiskyrmion crystals.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Microscopic modeling of direct pre-equilibrium emission: Impact on exclusive and inclusive (n, x n) and fission channels

We report on a microscopic modeling of the first order of multistep direct emission based on one phonon excitations, given by the QRPA model, and an effective in-medium nucleon nucleon interaction, described within the JLM folding model. The results of our coupled channels framework for deformed target are illustrated in the case of low energy discrete state excitations in 152 Sm. Pre-equilibrium predictions and their impact on inclusive and exclusive (n,xn) cross sections and fission cross sections are discussed for actinides. We discuss the importance of i) collective excitations to describe the neutron emission spectra and of ii) spin distribution of the residual nucleus formed after the neutron pre-equilibrium emission, that is a key ingredient to model the residual nucleus decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Pairing symmetry of twisted bilayer graphene: A phenomenological synthesis

One of the outstanding questions in the study of twisted bilayer graphene—from both experimental and theoretical points of view—is the nature of its superconducting phase. In this paper we perform a comprehensive synthesis of existing experiments, and argue that experimental constraints are strong enough to allow the structure of the superconducting order parameter to be nearly uniquely determined. In particular, we argue that the order parameter is nodal, and is formed from an admixture of spin-singlet and spin-triplet Cooper pairs. This argument is made on phenomenological grounds, without committing to any particular microscopic model of the superconductor. Existing data is insufficient to determine the orbital parity of the order parameter, which could be either p wave or d wave. We propose a way in which the measurement of Andreev edge states can be used to distinguish between the two.

36 MATERIALS SCIENCE↗