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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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Development of the PROTEUS and ANSYS Coupled System for Simulating Heat Pipe Cooled Micro Reactors

The objective of this project is to develop the coupled system of PROTEUS/ANSYS for simulating a heat pipe cooled micro reactor. As an initial effort, while figuring out controlling ANSYS Mechanical with Workbench, the coupled system of PROTEUS/FLUENT in the CORBA environment were tried to demonstrate the coupled simulation for a transient problem of a heat pipe cooled micro reactor. Finally, the coupled system of PROTEUS/ANSYS was constructed using APDL commands in the CORBA environment, instead of ANSYS Workbench, since we found that ANSYS with the current version of Workbench Python scripting did not provide capabilities necessary for simulating a transient problem.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Altermagnetic Band Splitting in 10 nm Epitaxial CrSb Thin Films

Altermagnets are a newly identified family of collinear antiferromagnets with a momentum-dependent spin-split band structure of non-relativistic origin, derived from spin-group symmetry-protected crystal structures. Among candidate altermagnets, CrSb is attractive for potential applications because of a large spin-splitting near the Fermi level and a high Néel transition temperature of around 700 K. Molecular beam epitaxy is used to synthesize CrSb (0001) thin films with thicknesses ranging from 10 to 100 nm. Structural characterization, using reflection high energy electron diffraction, scanning transmission electron microscopy, and X-ray diffraction, demonstrates the growth of epitaxial films with good crystallinity. Polarized neutron reflectometry shows the absence of any net magnetization, consistent with antiferromagnetic order. In vacuo angle resolved photoemission spectroscopy (ARPES) measurements probe the band structure in a previously unexplored regime of film thickness, down to 10 nm. These ARPES measurements show a bulk-type, 3D momentum-dependent band splitting of up to 0.7 eV with g-wave symmetry, consistent with that seen in prior studies of bulk single crystals. The distinct altermagnetic band structure required for potential spin-transport applications survives down to the ∼10 nm thin film limit at room temperature.

Santhosh, Sandra↗

Establishing coherent momentum-space electronic states in locally ordered materials

Rich momentum-dependent electronic structure naturally arises in solids with long-range crystalline symmetry. Reliable and scalable quantum technologies rely on materials that are either not perfect crystals or non-crystalline, breaking translational symmetry. This poses the fundamental questions of whether coherent momentum-dependent electronic states can arise without long-range order, and how they can be characterized. Here we investigate Bi 2 Se 3 , which exists in crystalline, nanocrystalline, and amorphous forms, allowing direct comparisons between varying degrees of spatial ordering. Through angle-resolved photoemission spectroscopy, we show for the first time momentum-dependent band structure with Fermi surface repetitions in an amorphous solid. The experimental data is complemented by a model that accurately reproduces the vertical, dispersive features as well as the replication at higher momenta in the amorphous form. These results reveal that well-defined real-space length scales are sufficient to produce dispersive band structures, and that photoemission can expose the imprint of these length scales on the electronic structure.

36 MATERIALS SCIENCE↗

Observation of spin-momentum locked surface states in amorphous Bi 2 Se 3

Crystalline symmetries have played a central role in the identification and understanding of quantum materials. Here we investigate whether an amorphous analogue of a well-known three-dimensional strong topological insulator has topological properties in the solid state. We show that amorphous Bi 2 Se 3 thin films host a number of two-dimensional surface conduction channels. Our angle-resolved photoemission spectroscopy data are consistent with a dispersive two-dimensional surface state that crosses the bulk gap. Spin-resolved photoemission spectroscopy shows this state has an anti-symmetric spin texture, confirming the existence of spin-momentum locked surface states. We discuss these experimental results in light of theoretical photoemission spectra obtained with an amorphous topological insulator tight-binding model, contrasting it with alternative explanations. In conclusion, the discovery of spin-momentum locked surface states in amorphous materials opens a new avenue to characterize amorphous matter and triggers the search for an overlooked subset of quantum materials outside of current classification schemes.

36 MATERIALS SCIENCE↗

Structural disorder-driven topological phase transition in noncentrosymmetric BiTeI

In this work, we investigate using local structural disorder to induce a topologically nontrivial phase in a solid state system. Using first-principles calculations, we introduce structural disorder in the trivial insulator BiTeI and observe the emergence of a topological insulating phase. By modifying the bonding environments, the crystal-field splitting is enhanced, with spin-orbit interactions producing a band inversion in the bulk electronic structure. Analysis of the Wannier charge centers and the surface electronic structure reveals a strong topological insulator with Dirac surface states. Finally, we propose a prescription for inducing topological states from disorder in crystalline materials. Understanding how local environments produce topological phases is a key step for predicting disordered and amorphous topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Unexpected dependence of the anomalous Hall angle on the Hall conductivity in amorphous transition metal thin films

The anomalous Hall effect (AHE), and magnetic and electronic transport properties were investigated in a series of amorphous transition metal thin films— Fe x S i –x , Fe x Ge 1-x , Co x Ge 1–x , Co x Si 1–x , and Fe 1–y Co y Si. The experimental results are compared with density functional theory calculations of the density of Berry curvature and intrinsic anomalous Hall conductivity. In all samples, the longitudinal conductivity (σ xx ), magnetization (M), and Hall resistivity (ρ xy ) increase with increasing transition metal concentration; due to the structural disorder σ xx is lower in all samples than a typical crystalline metal. In the systems with Fe as the transition metal (including Fe 1–y Co y Si), the magnetization and AHE are large and in some cases greater than the crystalline analog. In all samples, the AHE is dominated by the intrinsic mechanism, arising from a nonzero, locally derived Berry curvature. The anomalous Hall angle (AHA) (= σ xy /σ xx ) is as large as 5% at low temperature. These results are compared with the AHAs reported in a broad range of crystalline and amorphous materials. Previous work has shown that in a typical crystalline ferromagnet the Hall conductivity (σ xy ) and σ xx are correlated and are usually either both large or both small, resulting in an AHA that decreases with increasing σ xy . By contrast, the AHA increases linearly with increasing σ xy in the amorphous systems. This trend is attributed to a generally low σ xx , while σ xy varies and can be large. In the amorphous systems, σ xx and σ xy are not coupled, and there may thus exist the potential to further increase the AHA by increasing σ xy .

36 MATERIALS SCIENCE↗

Disorder-driven localization and electron interactions in Bi x ⁢ TeI thin films

Strong disorder has a crucial effect on the electronic structure in quantum materials by increasing localization, interactions, and modifying the density of states. Bi x TeI films grown at room temperature and 230 K exhibit dramatic magnetotransport effects due to disorder, localization, and electron correlation effects, including a metal-insulator transition at a composition that depends on growth temperature. The increased disorder caused by growth at 230 K causes the conductivity to decrease by several orders of magnitude for several compositions of Bi x TeI. The transition from metal to insulator with decreasing composition x is accompanied by a decrease in the dephasing length, which leads to the disappearance of the weak-antilocalization effect. Electron-electron interactions cause low temperature conductivity corrections on the metallic side and Efros-Shklovskii variable range hopping on the insulating side, effects which are absent in single crystalline Bi x TeI. Finally, the observation of a tunable metal-insulator transition and the associated strong localization and quantum effects in Bi x TeI shows the possibility of tuning spin transport in quantum materials via disorder.

36 MATERIALS SCIENCE↗

Hund's coupling governed orbital-selective superconductivity in Ba 1−𝑥 ⁢K 𝑥⁢ Fe 2 ⁢As 2

Understanding how strong electronic correlations shape superconductivity remains a central challenge in quantum materials. In multiorbital systems, correlations driven by Hund's coupling can differentiate the behavior of individual orbitals, producing the so-called Hund's metal state. How such orbital-selectivity also governs superconducting pairing, however, has remained largely unexplored experimentally. Here, in this study, we use high-resolution angle-resolved photoemission spectroscopy to systematically map the superconducting gap structure across the phase diagram of the representative iron-based superconductor Ba 1−x K x Fe 2 As 2 . We find that superconductivity evolves in a strongly orbital-dependent manner: the gap associated with the d xy orbital collapses beyond optimal doping while pairing on the d xz /d yz orbitals persists. This behavior mirrors the orbital-selective correlations observed in the normal state and reveals a direct connection between Hund's metal physics and the superconducting pairing landscape. Our results demonstrate that superconducting gaps themselves can serve as a sensitive probe of orbital-dependent correlations and suggest that Hund's coupling plays a central role in shaping pairing in multiorbital superconductors.

Corbae, Elena [SLAC National Accelerator Laborator↗

Amorphous topological matter: Theory and experiment

Topological phases of matter are ubiquitous in crystals, but less is known about their existence in amorphous systems, that lack long-range order. Here, we review the recent progress made on defining amorphous topological phases, their new phenomenology. We discuss the open questions in the field which promise to significantly enlarge the set of materials and synthetic systems benefiting from the robustness of topological matter.

36 MATERIALS SCIENCE↗

Hund's coupling assisted orbital-selective superconductivity in Ba1-xKxFe2As2

While the superconducting transition temperature of hole-doped Ba_{1-x}K_{x}Fe_{2}As_{2} decreases past optimal doping, superconductivity does not completely disappear even for the fully doped KFe_{2}As_{2} compound. In fact, superconductivity is robust through a Lifshitz transition where electron bands become hole-like around the zone corner at around x=0.7, thus challenging the conventional understanding of superconductivity in iron-based systems. High-resolution angle-resolved photoemission spectroscopy is used to investigate the superconducting gap structure, as well as the normal state electronic structure, around optimal doping and across the Lifshitz transition. Our findings reveal a largely orbital-dependent superconducting gap structure, where the more strongly correlated d_{xy} band has a vanishing superconducting gap at higher doping, aligning with the Hund's metal behavior observed in the normal state. Notably, the superconducting gap on the d_{xy} band disappears before the Lifshitz transition, suggesting that the Fermi surface topology may play a secondary role. We discuss how these results point to orbital-selective superconducting pairing and how strong correlations via Hund's coupling may shape superconducting gap structures in iron-based and other multiorbital superconductors.

FOS: Physical sciences↗