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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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102 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Extracting Topological Orders of Generalized Pauli Stabilizer Codes in Two Dimensions

In this paper, we introduce an algorithm for extracting topological data from translation invariant generalized Pauli stabilizer codes in two-dimensional systems, focusing on the analysis of anyon excitations and string operators. The algorithm applies to Z d qudits, including instances where d is a nonprime number. This capability allows the identification of topological orders that differ from the Z d toric codes. It extends our understanding beyond the established theorem that Pauli stabilizer codes for Z p qudits (with p being a prime) are equivalent to finite copies of Z p toric codes and trivial stabilizers. The algorithm is designed to determine all anyons and their string operators, enabling the computation of their fusion rules, topological spins, and braiding statistics. The method converts the identification of topological orders into computational tasks, including Gaussian elimination, the Hermite normal form, and the Smith normal form of truncated Laurent polynomials. Furthermore, the algorithm provides a systematic approach for studying quantum error-correcting codes. We apply it to various codes, such as self-dual CSS quantum codes modified from the two-dimensional honeycomb color code and non-CSS quantum codes that contain the double semion topological order or the six-semion topological order. Published by the American Physical Society 2024

Physics↗
DOE OSTI2025

Spin-strain interactions under hydrostatic pressure in α-RuCl 3

We investigate the effects of hydrostatic pressure on 𝛼−RuCl 3 , a prototypical material for the Kitaev spin model on a honeycomb lattice with a possible spin-liquid ground state. Using ultrasound measurements at pressures up to 1.16 GPa, we reveal significant modifications of the acoustic properties and the 𝐻−𝑇 phase diagram of this material. Hydrostatic pressure suppresses the three-dimensional magnetic order and induces a dimerization transition at higher pressures. At low pressures, the sound attenuation exhibits a linear temperature dependence, while above 0.28 GPa, it becomes nearly temperature independent, suggesting a shift in the phonon scattering regime dominated by Majorana fermions. These findings provide new insights into spin-strain interactions in Kitaev magnets and deliver a detailed characterization of the 𝐻−𝑇 phase diagram of 𝛼−RuCl 3 under hydrostatic pressure.

Focused ion beam↗
DOE OSTI2025

Engineering 2D Square Lattice Hubbard Models in 90° Twisted GeX/SnX (X =S, Se) Moiré Superlattices

Because of the large-period superlattices emerging in moiré two-dimensional (2D) materials, electronic states in such systems exhibit low energy flat bands that can be used to simulate strongly correlated physics in a highly tunable setup. While many investigations have thus far focused on moiré flat bands and emergent correlated electron physics in triangular, honeycomb, and quasi-one-dimensional lattices, tunable moiré realizations of square lattices subject to strong correlations remain elusive. Here, in this work, we propose a feasible scheme to construct moiré square lattice systems by twisting two or more layers of 2D materials in a rectangular lattice by 90°. We demonstrate the concept with twisted GeX/SnX (X =S, Se) moiré superlattices and calculate their electronic structures from first principles. We show that the lowest conduction flat band in these systems can be described by a square lattice Hubbard model with parameters which can be controlled by varying the choice of host materials, number of layers, and external electric fields. In particular, twisted double bilayer GeSe realizes a square lattice Hubbard model with strong frustration due to the next-nearest-neighbor hopping that could host unconventional superconductivity, in close analogy to the Hubbard model for copper-oxygen planes of cuprate high-temperature superconductors. The presented scheme uses 90° twisted 2D materials with rectangular unit cells as a promising platform for realizing the physical phenomena of square lattice Hubbard models, establishing a new route for studying its rich phase diagram of magnetism, charge order, and unconventional superconductivity in a highly tunable setting.

2-dimensional systems↗
DOE OSTI2024

Fundamentals and emerging optical applications of hexagonal boron nitride: a tutorial

Hexagonal boron nitride (hBN), also known as white graphite, is a transparent layered crystal with a wide bandgap. Its crystal structure resembles graphite, featuring layers composed of honeycomb lattices held together through van der Waals forces. The layered crystal structure of hBN facilitates exfoliation into thinner flakes and makes it highly anisotropic in in-plane and out-of-plane directions. Unlike graphite, hBN is both insulating and transparent, making it an ideal material for isolating devices from the environment and acting as a waveguide. As a result, hBN has found extensive applications in optical devices, electronic devices, and quantum photonic devices. This comprehensive tutorial aims to provide readers with a thorough understanding of hBN, covering its synthesis, lattice and spectroscopic characterization, and various applications in optoelectronic and quantum photonic devices. This tutorial is designed for both readers without prior experience in hBN and those with expertise in specific fields seeking to understand its relevance and connections to others.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electrolyzer Integrated Modular Nano-Array Monolithic Catalytic Reactors

The project objective is to design and develop a new class of electrolyzer-integrated, modular, nanostructure array (nano-array) monolithic catalytic reactors for high-flux, robust and selective methanol synthesis. The modular reactor features metal oxide nano-array grown on an additively-manufactured channeled honeycomb monolith made of ceramic or metals; this low-pressure carbon dioxide hydrogenation reactor is fueled with hydrogen from a low-temperature water electrolyzer having reduced platinum group metal (PGM) content. Through these nanostructured monolithic reactors, methanol synthesis is enabled with cost-effective hydrogenation reactions under low-temperature (<200°C) and low-pressure (<10 atm) conditions, thus significantly reducing the energy demand of the entire process.

08 HYDROGEN↗
DOE OSTI2024

Frontiers in Magnetic Materials

Magnetism is crucial to many modern technologies, a driver for condensed matter physics research and one of the most remarkable and diverse properties of matter. We propose to develop understanding of novel magnetism and magnetic related behavior in materials and use this to accelerate the discovery of forefront magnetic materials. The approach is via the connection of magnetic properties to specific structures and materials. Topics that will be addressed are (1) Metallic magnetic materials with unusually low carrier concentrations and/or moments (2) Magnetism arising from unusual chemistry including 4d and 5d magnetism and (3) Materials with strong spin-fluctuations, which can lead to quantum criticality, spin-fluctuation induced superconductivity and other novel quantum behavior. These topics overlap, for example, the 4d ruthenates include ferromagnets (perovskite SrRuO 3 ), extremely high ordering temperature antiferromagnets (honeycomb lattice SrRu 2 O 6 ) and well as quantum materials with strong spin fluctuations (layered perovskite Sr 2 RuO 4 and Sr 3 Ru 2 O 7 ). We will use of density calculations to connect magnetic properties with chemistry and structure and employ phenomenological theories to extend these results to properties that are not directly given by direct first principles methods and we will conduct tests to explore the limitations of density functional approximations and new functionals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Additive Manufacturing of Thermal Energy Storage Composites with Microencapsulated Phase Change Materials Supported in a Multi-Polymer Matrix

Advanced manufacturing techniques, such as additive manufacturing (AM), that can directly integrate phase change materials (PCMs) have garnered interest in recent years due to their potential for development of highly efficient thermal energy storage architectures. Complex, high surface area geometries embedded with PCMs that are only feasible with AM can improve thermal management with reduced material waste. Our work focuses on developing composite filaments with microencapsulated phase change materials (MEPCM) bound within a single or dual polymer matrix that can be processed through standard filament extruders and additively manufactured using off-the-shelf 3D printers. Polymer powders, rather than polymer pellets, were key to homogenously mixed filaments achieving high MEPCM loadings with no deterioration in thermal energy storage (TES) capability during extrusion. Composite filaments contain upwards of 60 wt% MEPCM and were printed without loss in feature resolution, print speed, or layer adhesion. Storage enthalpies of printed composites range from 100 - 130 kJ/kg, which were within 5% of the theoretical enthalpy based on weight fraction of MEPCM and maintained enthalpies within 1% over 500 thermal cycles. We can reliably manufacture low density, high surface area structures like 15% gyroid infill, along with dense, compact pucks at a 100% concentric infill. Prints were also scalable to a 900 cm3 honeycomb infill heat exchanger model that has an estimated energy storage capacity of 9 Wh.

3D printing↗
DOE OSTI2025

Low-energy edge signatures of the Kitaev spin liquid

Recent experimental work indicates that the Kitaev spin liquid may be realizable close to zero magnetic field in exfoliated 𝛼−RuCl 3 flakes, thus providing a more versatile setting for studying non-Abelian anyons. Here, we propose a robust nanoscale signature of the Kitaev spin liquid that results from its edge states and manifests in the low-energy spin dynamics. In particular, we highlight a singular peak in the dynamical spin structure factor of a zigzag edge whose energy scales linearly with only one component of the magnetic field. This sharp feature in the local spin dynamics directly reflects the bond-directional Kitaev spin interactions and, more generally, the projective symmetries of the Kitaev spin liquid. In conclusion, we demonstrate that our proposed signature survives in the presence of edge disorder as well as non-Kitaev interactions, and provide detailed guidelines for experimentally observing it using inelastic electron tunneling spectroscopy and color-center relaxometry.

Color centers↗
DOE OSTI2026

Spontaneous Twirls and Structural Frustration in Moiré Materials

Structural twirls form spontaneously in the domain wall networks of some moiré materials. We show that in heterobilayers, neighboring twirl chiralities tend to antialign, forming staggered patterns that are well described by antiferromagnetic lattice 𝜙 4 theories. In moiré systems with triangular domains, this leads to frustration in the chirality configuration of the twirls and to hysteresis with respect to variation of the average twist angle and possibly other control parameters. As a result, we expect that in typical materials, the ordering temperature of twirls is about 10 3 K, and that thermal fluctuations in individual twirl chiralities freeze below room temperature.

Elastic deformation↗
DOE OSTI2025

Raw data for KCoAsO4 powder

Contains neutron powder data on nuclear and magnetic diffraction as well as low and high energy inelastic neutron scattering for KCoAsO4

36 MATERIALS SCIENCE↗
DOE OSTI2026

Neutron scattering for NiPS3

Inelastic magnetic spectra for NiPS3 as published in Phys. Rev. B 108, 104402, 2023; https://doi.org/10.1103/PhysRevB.108.104402 . Analysis scripts and SpinW code also included.

36 MATERIALS SCIENCE↗