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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Observation of Chiral Magnon Band Splitting in Altermagnetic Hematite

Altermagnets, a new frontier for spintronics, represent a distinct magnet class with nonrelativisticsplitting of both electronic and chiral magnon bands, yet experimental verification of their unique magnondynamics remains scarce. In this Letter, inelastic neutron scattering experiments on α-Fe 2 O 3 reveal a clearmagnon band splitting about 3 meV at ∼100 meV. Here, we trace the origin of this splitting to the alternatingexchange interactions between the 13th nearest neighbors, as supported by first-principles calculations, andconfirm that the magnons have chiral splits by theoretical modeling. This definitive characterization ofchiral magnons in hematite provides the fundamental insight needed to design and control spin transport innovel spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Neutrino and gamma-ray signatures of inelastic dark matter annihilating outside neutron stars

We present a new inelastic dark matter search: neutron stars in dark matter-rich environments capture inelastic dark matter which, for interstate mass splittings between about 45 - 285 MeV, will annihilate away before becoming fully trapped inside the object. This means a sizable fraction of the dark matter particles can annihilate while being outsidethe neutron star, producing neutron star-focused gamma-rays and neutrinos. We analyze this effect for the first time and target the neutron star population in the Galactic Center, where the large dark matter and neutron star content makes this signal most significant. Depending on the assumed neutron star and dark matter distributions, we set constraints on the dark matter-nucleon inelastic cross-section using existing H.E.S.S. observations. We also forecast the sensitivity of upcoming gamma-ray and neutrino telescopes to this signal, which can reach inelastic cross-sections as low as ∼ 2 × 10 -47 cm 2 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Magnetic excitations from the hexagonal spin clusters in the 𝑆 = $\frac{1}{2}$ distorted honeycomb lattice antiferromagnet Cu 2 ⁢(pymca)⁢ 3 ⁢(ClO 4 )

Cu 2 ⁢(pymca) ⁢3 (ClO 4 ) (pymca: pyrimidine-2-carboxylate) consists of a slightly distorted honeycomb lattice of Cu 2+ spins, which shows no long-range magnetic order down to 0.6 K. A magnetization study revealed 1/3 and 2/3 plateau phases [A. Okutani et al., J. Phys. Soc. Jpn. 88, 013703 (2019)], which is not expected for regular honeycomb antiferromagnets. Inelastic neutron scattering experiments were performed using a powder sample to investigate the exchange interactions of this material. The spin excitations from the singlet ground state to the first three triplet states, predicted from the antiferromagnetic hexagonal spin cluster interacting with 3.9 meV, were observed. Using the exact diagonalization methods, the intercluster coupling was estimated from the excitation peak width to be about 20% of the intracluster interaction, which is consistent with the previously reported value. Finally, our exchange path model explains the anisotropic exchange interactions in the distorted honeycomb plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Understanding the High-Temperature Deformation Behaviors in Additively Manufactured Al6061+TiC Composites via In Situ Neutron Diffraction

Aluminum matrix composites (AMCs) are designed to enhance the performance of conventional aluminum alloys for engineering applications at both room and elevated temperatures. However, the dynamic phase-specific deformation behavior and load-sharing mechanisms of AMCs at elevated temperatures have not been extensively studied and remain unclear. Here, in situ neutron diffraction experiments are employed to reveal the phase-specific structure evolution of additively manufactured Al6061+TiC composites under compressive loading at 250 °C. It is found that the addition of a small amount of nano-size TiC significantly alters the deformation behavior and increases the strength at 250 °C in comparison to the as-printed Al6061. Unlike the two-stage behavior observed in Al6061, the Al6061+TiC composites exhibit three stages during compression triggered by changes in the interphase stress states. Further analysis of Bragg peak intensity and broadening reveals that the presence of TiC alters the dislocation activity during deformation at 250 °C by influencing dislocation slip planes and promoting dislocation accumulation. These findings provide direct experimental observations of the phase-specific dynamic process in AMCs under deformation at an elevated temperature. The revealed mechanisms provide insights for the future design and optimization of high-performance AMCs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Time-of-flight vs time-of-arrival in neutron spectroscopic measurements for high energy density plasmas

The neutron time-of-flight (nToF) diagnostic technique has a lengthy history in Inertial Confinement Fusion (ICF) and High Energy Density (HED) Science experiments. Its initial utility resulted from the simple relationship between the full width half maximum of the fusion peak signal in a distant detector and the burn averaged conditions of an ideal plasma producing the flux [Lehner and Pohl, Z. Phys. 207, 83–104 (1967)]. More recent precision measurements [Gatu-Johnson et al., Phys. Rev. E 94(8), 021202 (2016)] and theoretical studies [Munro, Nucl. Fusion 56, 035001 (2016)] have shown the spectrum to be more subtle and complicated, driving the desire for an absolute calibration of the spectrum to disambiguate plasma dynamics from the conditions producing thermonuclear reactions. In experiments where the neutron production history is not well measured, but the neutron signal is preceded by a concomitant flux of photons, the spectrum can be in situ calibrated using a set of collinear detectors to obtain a true “time-of-flight” measurement. This article presents the motivation and overview of this technique along with estimates of the experimental precision needed to make useful measurements in existing and future nToF systems such as the pulsed power Z-machine located in Albuquerque, NM, at Sandia National Laboratories.

Fusion experiments↗
DOE OSTI2024

Quantum tensor network algorithms for evaluation of spectral functions on quantum computers

We investigate quantum algorithms derived from tensor networks to simulate the static and dynamic properties of quantum many-body systems. Using a sequentially prepared quantum circuit representation of a matrix product state (MPS) that we call a quantum tensor network (QTN), we demonstrate algorithms to prepare ground and excited states on a quantum computer and apply them to molecular nanomagnets (MNMs) as a paradigmatic example. In this setting, we develop two approaches for extracting the spectral correlation functions measured in neutron-scattering experiments: (a) a generalization of the SWAP test for computing wave function overlaps and, (b) a generalization of the notion of matrix product operators to the QTN setting which generates a linear combination of unitaries. The latter method is discussed in detail for translationally invariant spin-half systems, where it is shown to reduce the qubit resource requirements compared with the SWAP method and may be generalized to other systems. We demonstrate the versatility of our approaches by simulating spin-1/2 and spin-3/2 MNMs, with the latter being an experimentally relevant model of a Cr$^{3+}_{8}$ ring. Here, our approach has qubit requirements that are independent of the number of constituents of the many-body system and scale only logarithmically with the bond dimension of the MPS representation, making them appealing for implementation on near-term quantum hardware with mid-circuit measurement and reset.

Neutron scattering↗
DOE OSTI2026

Codimension-two spiral spin liquid in the effective honeycomb-lattice compound Cs 3 ⁢Fe 2 ⁢Cl 9

A codimension-two spiral spin liquid is a correlated paramagnetic state with one-dimensional ground state degeneracy hosted within a three-dimensional lattice. Here, in this work, via neutron scattering experiments and numerical simulations, we establish the existence of a codimension-two spiral spin liquid in the effective honeycomb-lattice compound Cs 3 ⁢Fe 2⁢ Cl 9 , which demonstrates an alternate path to spiral spin liquids by overcoming the long-standing impediment of weak further-neighbor interactions. In the long-range ordered regime, competing spiral and spin density wave orders emerge as a function of applied magnetic field, among which a possible order-by-disorder transition is identified.

Monte Carlo methods↗
DOE OSTI2025

Bose–Einstein condensation of a two-magnon bound state in a spin-1 triangular lattice

In ordered magnets, the elementary excitations are spin waves (magnons), which obey Bose–Einstein statistics. Similarly to Cooper pairs in superconductors, magnons can be paired into bound states under attractive interactions. The Zeeman coupling to a magnetic field is able to tune the particle density through a quantum critical point, beyond which a ‘hidden order’ is predicted to exist. Here, in this work, we report direct observation of the Bose–Einstein condensation of the two-magnon bound state in Na 2 BaNi(PO 4 ) 2 . Comprehensive thermodynamic measurements confirmed the two-dimensional Bose–Einstein condensation quantum critical point at the saturation field. Inelastic neutron scattering experiments were performed to establish the microscopic model. An exact solution revealed stable two-magnon bound states that were further confirmed by electron spin resonance and nuclear magnetic resonance experiments, demonstrating that the quantum critical point is due to the pair condensation, and the phase below the saturation field is likely the long-sought-after spin nematic phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

How Topological Polymer Loops on the Nanoparticle Surface Control the Mechanical Properties of Nanocomposites

Carbon black (CB) and silica (SiO 2 ) filled elastomers are known to be the most successful polymer nanocomposites (PNCs) in industry, where “bound rubber (BR)” (i.e., polymer chains that are physically or chemically adsorbed on the nanofiller surface) plays a critical role in their reinforcement. Here, we report a molecular-scale mechanism underlying the “BR-induced reinforcement” by integrating neutron scattering experiments and molecular dynamics simulations. Simplified non-cross-linked SiO 2 -filled polybutadiene (PB) and CB-filled PB reveal the critical role of topological polymer loops in the BR for the enhanced mechanical performance. The average loop size on the SiO 2 surface modified with a silane coupling agent is much smaller than that on the CB surface and the loops on the SiO 2 surface are densely formed, preventing interdigitation with the matrix chains. On the other hand, the larger, uncrowded loops formed on the CB surface facilitate the interdigitation with the matrix polymer chains even near the filler surface. In this way, a strong connectivity is established between a matrix and a nanofiller, resulting in an adhesive filler–polymer interface. Furthermore, our findings shed light on rich and complex physics and materials design problems in PNCs, where the topological polymer structure on the nanofiller surface directly controls the macroscopic mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Disorder-induced spin excitation continuum and spin-glass ground state in the inverse spinel CuGa 2 O 4

Spinel-structured compounds serve as prototypical examples of highly frustrated systems and are promising candidates for realizing the long-sought quantum spin liquid (QSL) state. However, structural disorder is inevitable in many real QSL candidates and its impact remains a topic of intense debate. In this work, we conduct comprehensive investigations on CuGa 2 ⁢ O 4 , a spinel compound with significant structural disorder, focusing on its thermodynamic properties and spectroscopic behaviors. No long-range magnetic order is observed down to ∼80 mK, as evidenced by magnetic susceptibility, specific-heat, and elastic neutron scattering measurements. More intriguingly, inelastic neutron scattering experiments reveal a broad gapless continuum of magnetic excitations around the Brillouin zone boundary, resembling the magnetic excitation spectra expected for a QSL. Nevertheless, a spin-freezing transition at 𝑇 f ≈ 0.88 K is identified from the cusp in the dc susceptibility curves, where a bifurcation between zero-field-cooling and field-cooling curves occurs. Furthermore, ac susceptibility measurements show a peak close to 𝑇 f at low frequency, which shifts to higher temperature with increasing frequency. These results show that CuGa 2 ⁢ O 4 has a spin-glass ground state, consistent with the establishment of short-range order inferred from the specific-heat measurements. Collectively, these results illustrate the crucial role of disorder in defining the excitation spectrum out of the disordered ground state. Furthermore, our findings shed light onto the broader class of 𝐴⁢𝐵 2 ⁢O 4 spinels and advance our understanding of the spin dynamics in magnetically disordered systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Development of deformed intruder structures along the N=50 magic number: Insights from 83 Se

The 83 Se nucleus was studied in the context of shape coexistence employing a 82 Se(d,p) 83 Se reaction performed in inverse kinematics with the GALILEO-II + SPIDER setup to reach the desired selectivity on the reaction channel of interest via γ -particle coincidences. The lifetimes of the 1/2 + 540-keV and 3/2$^{+}_{3}$ 1100-keV low-lying intruder states of 83 Se were measured for the first time by employing the Recoil Distance Doppler Shift and the Doppler Shift Attenuation Method. The deduced transition probabilities, together with the mixing ratios obtained from a separate neutron-capture experiment performed at ILL with the FIPPS array, are compared and discussed in the framework of shell-model calculations performed with the PFSDG-U Hamiltonian. Large transition probabilities of hundreds of e 2 fm 4 were found for the E 2 decays of the states built on top of the intruders, pointing to the development of quadrupole collectivity and large deformation in the proximity of N = 50 shell closure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Investigation of Low-Energy Lattice Dynamics and Their Role in Superionic Na Diffusion and Ultralow Thermal Conductivity of Na 3 PSe 4 as a Solid-State Electrolyte

The atomic dynamics of Na 3 PSe 4 were investigated using a combination of neutron scattering experiments and ab initio and machine-learned molecular dynamics simulations to probe the interplay of fast ionic diffusion with atomic vibrations (phonons) of the host lattice. Our results reveal the existence of low-energy vibrational modes, simultaneously involving motions of Na + ions and framework polyanion subunits, and show that these modes become strongly overdamped in the superionic regime as they couple with the Na + hopping process. In particular, the Na+ migration energy landscape is strongly impacted by low-energy phonons derived from a soft acoustic branch of the host lattice, which modulates the diameter of the Na + diffusion channel at the bottleneck. We find that an additional factor for the enhanced Na + conductivity in Na 3 PSe 4 is the presence of Na-vacancies, which also affect the low-frequency dynamics and thermal vibration amplitudes, pointing to an interplay between Na + vacancies and host dynamics, jointly enhancing ionic diffusivity. Finally, we investigate the origin of ultralow thermal conductivities in Na 3 PSe 4 and Na 3 PS 4 using Green–Kubo simulations and find that low-energy acoustic phonon modes of the overall crystal framework provide a dominant contribution to the thermal conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

High Entropy Protected Sharp Magnetic Transitions in Highly Disordered Spinel Ferrites

How disorder affects magnetic ordering is always an intriguing question, and it becomes even more interesting in the recently rising high entropy oxides due to the extremely high disorder density. However, due to the lack of high-quality single crystal samples, the strong compositional disorder effect on magnetic transition has not been deeply investigated. In this work, we have successfully synthesized high-quality single crystalline high entropy spinel ferrites (Mg 0.2 Mn 0.2 Fe 0.2 Co 0.2 Ni 0.2 ) x Fe 3-x O 4 . Our findings from high-temperature magnetization and neutron diffraction experiments showed ferrimagnetic transitions at 748, 694, and 674 K for x values of 1, 1.5, and 1.8, respectively. Notably, the magnetic transition almost showed no broadening for x values of 1 and 1.5, compared to Fe 3 O 4 . Extended X-ray absorption fine structure measurements provided insights into the elemental distribution among the octahedral and tetrahedral sites. The random distribution of elements across these sites reduced the formation of local clusters and short-range orders, enhancing sample homogeneity and preserving the sharpness of the magnetic transition, despite bond length variation. Here, our study not only marks the first successful synthesis of an HEO bulk single crystal exhibiting long-range magnetic order but also sheds light on the interaction between high configurational entropy and magnetic orderings. This opens new avenues for future research and applications of magnetic high entropy oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Altermagnetism in the layered intercalated transition metal dichalcogenide CoNb 4 Se 8

Altermagnets (AMs) are a new class of magnetic materials that combine the beneficial spintronics properties of ferromagnets and antiferromagnets, garnering significant attention recently. Here, we have identified altermagnetism in a layered intercalated transition metal diselenide, CoNb 4 Se 8 , which crystallizes with an ordered sublattice of intercalated Co atoms between NbSe 2 layers. Single crystals are synthesized, and the structural characterizations are performed using single crystal diffraction and scanning tunneling microscopy. Magnetic measurements reveal easy-axis antiferromagnetism below 168 K. Density functional theory (DFT) calculations indicate that A-type antiferromagnetic ordering with easy-axis spin direction is the ground state, which is verified through single crystal neutron diffraction experiments. Electronic band structure calculations in this magnetic state display spin-split bands, confirming altermagnetism in this compound. The layered structure of CoNb 4 Se 8 presents a promising platform for testing various predicted properties associated with altermagnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-temperature quantum coherence of spinons in a rare-earth spin chain

Conventional wisdom dictates that quantum effects become unimportant at high temperatures. In magnets, when the thermal energy exceeds interactions between atomic magnetic moments, the moments are usually uncorrelated, and classical paramagnetic behavior is observed. This thermal decoherence of quantum spin behaviors is a major hindrance to quantum information applications of spin systems. Remarkably, our neutron scattering experiments on Yb chains in an insulating perovskite crystal defy these conventional expectations. We find a sharply defined spectrum of spinons, fractional quantum excitations of spin-1/2 chains, to persist to temperatures much higher than the scale of the interactions between Yb magnetic moments. The observed sharpness of the spinon continuum’s dispersive upper boundary indicates a spinon mean free path exceeding ≈ 35 inter-atomic spacings at temperatures more than an order of magnitude above the interaction energy scale. We thus discover an important and highly unique quantum behavior, which expands the realm of quantumness to high temperatures where entropy-governed classical behaviors were previously believed to dominate. Our results have profound implications for spin systems in quantum information applications operating at finite temperatures and motivate new developments in quantum metrology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Impact of surface hydrophilicity on the ordering and transport properties of bicontinuous microemulsions

Microemulsions (MEs) have many industrial applications, where recent developments have shown that MEs can be utilized for electrochemical applications, including potentially in redox flow batteries. However, understanding the structure and dynamics of these systems, including at a surface, is needed to direct and rationally control their electrochemical behavior. While bulk solution measurements have provided insight into their structure, their assembly at an interface also impacts the electron (to the electrode) and ion (across the surfactant) charge transfer processes in the system. To address this shortcoming, neutron reflectivity experiments and molecular simulations have been completed that document the near surface structure of a series of deuterated water (D 2 O)/polysorbate-20/toluene MEs on hydrophilic and amphiphilic surfaces. These results show that the microemulsions form complex layered structures near a hard electrode surface, where most layers are not purely one component. Decreasing the D 2 O concentration in the ME increases the number of and purity of the layers established on the solid surface. These lamellar-type layers transition from the surface to the bulk microemulsion as a series of mixed layers (i.e., containing oil, water, and surfactant) that are consistent with perforated lamellae. Additionally, these mixed lamellae appear to become more perforated with oil and water pathways on an amphiphilic surface. Furthermore, the purity and thickness of these layers will influence the accessibility of an electrode by redox active species, as well as ion transport required to satisfy the electroneutrality condition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Machine learning-assisted profiling of a kinked ladder polymer structure using scattering

Ladder polymers consisting of fused rings in the backbone have very limited conformational freedom, which results in very different properties from traditional linear polymers. However, accurately determining their size and chain conformations from solution scattering remains a challenge. Their chain conformations of kinked ladder polymers are largely governed by the structures and relative orientations or configurations of the repeat units, unlike conventional polymer chains whose bending angles between repeat units follow a unimodal Gaussian distribution. Meanwhile, traditional scattering models for polymer chains do not account for these unique structural features. This work introduces a novel approach that integrates machine learning with Monte Carlo simulations to construct a model that can describe the geometry of a type of kinked CANAL ladder polymers. We first develop a Monte Carlo simulation model for sampling the configuration space of CANAL ladder polymers, where each repeat unit is modeled as a biaxial segment. Then, we establish a machine learning-assisted scattering analysis framework based on Gaussian Process Regression. Finally, we conduct small-angle neutron scattering experiments on a CANAL ladder polymer solution to apply our approach. Our method uncovers structural features of such ladder polymers that conventional methods fail to capture.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗