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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The kagomé metals RbTi 3 Bi 5 and CsTi 3 Bi 5

Abstract The kagomé metals RbTi 3 Bi 5 and CsTi 3 Bi 5 were synthesized both as polycrystalline powders by heating the elements in an argon atmosphere and as single crystals grown using a self-flux method. The compounds crystallize in the hexagonal crystal system isotypically to KV 3 Sb 5 ( P 6/ mmm , Z = 1, CsTi 3 Bi 5 : a = 5.7873(1), c = 9.2062(1) Å; RbTi 3 Bi 5 : a = 5.773(1), c = 9.065(1) Å). The titanium atoms form a kagomé net with bismuth atoms in the hexagons as well as above and below the triangles. The alkali metal atoms are coordinated by 12 bismuth atoms and form AlB 2 -like slabs between the kagomé layers. Magnetic susceptibility measurements with CsTi 3 Bi 5 and RbTi 3 Bi 5 single crystals reveal Pauli-paramagnetism and traces of superconductivity caused by CsBi 2 /RbBi 2 impurities. Magnetotransport measurements reveal conventional Fermi liquid behavior and quantum oscillations indicative of a single dominant orbit at low temperature. DFT calculations show the characteristic metallic kagomé band structure similar to that of CsV 3 Sb 5 with reduced band filling. A symmetry analysis of the band structure does not reveal an obvious and unique signature of a nontrivial topology.

Chemistry↗
DOE OSTI2021

Laser-Interference Surface Preparation for Enhanced Coating Adhesion and Adhesive Joining of Multi-Materials (Final Project Report)

This report investigates a laser-interference surface treatment as a non-contact, i.e., without major solid/liquid medium application or abrasion, and non-chemical surface preparation method for aerospace coating systems. It was proposed to use the laser-interference technique to structure surfaces of Al and/or Ti, creating "rough" surfaces with pre-engineered series of ridges and valleys at submicron scale. The science goal of this study was to develop an understanding of the surface microstructure, topology, and physical mechanisms that would improve adhesion and corrosion protection of Al2024-T3. Microstructure analysis indicates that the laser-interference structuring (LIS) was found to reduce the formation of CuMn-rich precipitates in Al 2024-T3 over a 500-800 nm depth from top surface. The X-cut and cross-hatch coating adhesion ratings indicate that the LIS specimens meet the performance requirements in the coating adhesion specifications by having a higher or identical ranking to those specimens prepared with current state-of-the-art chemical conversion or sulfuric acid anodizing. After the ASTM B117 corrosion exposure, it was found that the laser processed specimens exhibited only few blisters. It was found that the corrosion damage was minimized at a laser rastering speed of 4 mm/s, for which only 33% of specimens developed very minor corrosion damage. The ASTM D1654 creepage ratings, used to evaluate corrosion damage along the scribe lines, were found to be at least nine for all coated panels. These results indicate that the laser-interference technique with the additional acetone wiping has the potential to be further developed as a minor chemical surface preparation technique for chromate-containing epoxy primers coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quasiparticle excitations in a one-dimensional interacting topological insulator: Application for dopant-based quantum simulation

Here, we study the effects of electron-electron interactions on the charge excitation spectrum of the spinful Su-Schrieffer-Heeger (SSH) model, a prototype of a one-dimensional bulk obstructed topological insulator. In view of recent progress in the fabrication of dopant-based quantum simulators we focus on experimentally detectable signatures of interacting topology in finite lattices. To this end we use Lanczos-based exact diagonalization to calculate the single-particle spectral function in real space which generalizes the local density of states to interacting systems. Its spatial and spectral resolution allows for the direct investigation and identification of edge states. By studying the noninteracting limit, we demonstrate that the topological in-gap states on the boundary are robust against both finite-size effects as well as random bond and onsite disorder which suggests the feasibility of simulating the SSH model in engineered dopant arrays in silicon. While edge excitations become zero-energy spinlike for any finite interaction strength, our analysis of the spectral function shows that the single-particle charge excitations are gapped out on the boundary. Despite the loss of topological protection, we find that these edge excitations are quasiparticlelike as long as they remain within the bulk gap. Above a critical interaction strength of U c ≈5t these quasiparticles on the boundary lose their coherence which is explained by the merging of edge and bulk states. This is in contrast to the many-body edge excitations which survive the limit of strong coupling, as established in the literature. Our findings show that for moderate repulsive interactions the nontrivial phase of the interacting SSH model can be detected through remnant signatures of topological single-particle states using single-particle local measurement techniques such as scanning tunneling spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Energy Release Rate Approximation for Small Surface Cracks in Three-Dimensional Domains Using the Topological Derivative

The topological derivative describes the variation of a response functional with respect to infinitesimal changes in topology, such as the introduction of an infinitesimal crack or hole. In this three-dimensional fracture mechanics work, we propose an approximation of the energy release rate field associated with a small surface crack of any boundary location, direction, and orientation combination using the topological derivative. Furthermore, this work builds on the work of Silva et al. (“Energy Release Rate Approximation for Small Surface-Breaking Cracks Using the Topological Derivative,” J. Mech. Phys. Solids 59(5), pp. 925–939), in which the authors proposed an approximation of the energy release rate field which was limited to two-dimensional domains. The proposed method is computationally advantageous because it only requires a single analysis. By contrast, current boundary element and finite element-based methods require an analysis for each crack length-location-direction-orientation combination. Furthermore, the proposed method is evaluated on the non-cracked domain, obviating the need for refined meshes in the crack tip region.

42 ENGINEERING↗
DOE OSTI2026

Topology-driven compressive behavior of Inconel 718 lattice structures with Z-strut reinforcement fabricated by laser powder bed fusion

This study investigates the compressive deformation behavior and mechanical performance of Inconel 718 lattice structures fabricated by laser powder bed fusion (LPBF). Four unit-cell topologies—BCC, FCC, BCCZ, and FCCZ—were designed with a unit-cell size of 3 mm and fabricated under identical process conditions to isolate the effect of topology. Measured relative densities ranged from 14.65% to 17.72%. Compressive testing showed that Z-strut-reinforced topologies (BCCZ: 54.6 MPa; FCCZ: 80.2 MPa) exhibited higher strength than their unreinforced counterparts, which may be associated with mixed-mode deformation behavior enabled by the vertically aligned Z-struts. Finite element simulations and Digital Image Correlation (DIC) analysis support the observation of a transition from node-dominated deformation in BCC/FCC to mixed-mode deformation in BCCZ/FCCZ. These findings suggest that unit-cell topology is a key design variable for tailoring deformation mechanisms in LPBF lattice structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analysis and Mitigation of Cascading Failures Using a Stochastic Interaction Graph with Eigen-analysis

In studies on complex network systems using graph theory, eigen-analysis is typically performed on an undirected graph model of the network. However, when analyzing cascading failures in a power system, the interactions among failures suggest the need for a directed graph beyond the topology of the power system to model directions of failure propagation. To accurately quantify failure interactions for effective mitigation strategies, this paper proposes a stochastic interaction graph model and associated eigen-analysis. Different types of modes on failure propagations are defined and characterized by the eigenvalues of a stochastic interaction matrix, whose absolute values are unity, zero, or in between. Finding and interpreting these modes helps identify the probable patterns of failure propagation, either local or widespread, and the participating components based on eigenvectors. Then, by lowering the failure probabilities of critical components highly participating in a mode of widespread failures, cascading can be mitigated. Here, the validity of the proposed stochastic interaction graph model, eigen-analysis and the resulting mitigation strategies is demonstrated using simulated cascading failure data on an NPCC 140-bus system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Magnetism and topological Hall effect in antiferromagnetic Ru 2 MnSn-based Heusler compounds

Heusler compounds and alloys based on them are of great recent interest because they exhibit a wide variety of spin structures, magnetic properties, and electron-transport phenomena. Their properties are tunable by alloying and we have investigated L2 1 -orderd compound Ru 2 MnSn and its alloys by varying the atomic Mn:Sn composition. While antiferromagnetic ordering with a Néel temperature of 361 K was observed in Ru 2 MnSn, the Mn-poor Ru 2 Mn 0.8 Sn 1.2 alloy exhibits properties of a diluted antiferromagnet in which there are localized regions of uncompensated Mn spins. Furthermore, a noncoplanar spin structure, evident from a topological Hall-effect contribution to the room-temperature Hall resistivity, is realized in Ru 2 Mn 0.8 Sn 1.2 . Finally, our combined experimental and theoretical analysis shows that in the Ru 2 Mn 0.8 Sn 1.2 alloy, the magnetic properties can be explained in terms of a noncoplanar antiferromagnetic scissor mode, which creates a small net magnetization in a magnetic field and subsequently yields a Berry curvature with a strong topological Hall effect.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ligand‐Mediated Quantum Yield Enhancement in 1‐D Silver Organothiolate Metal–Organic Chalcogenolates

X-ray free electron laser (XFEL) microcrystallography and synchrotron single-crystal crystallography are used to evaluate the role of organic substituent position on the optoelectronic properties of metal–organic chalcogenolates (MOChas). MOChas are crystalline 1D and 2D semiconducting hybrid materials that have varying optoelectronic properties depending on composition, topology, and structure. While MOChas have attracted much interest, small crystal sizes impede routine crystal structure determination. A series of constitutional isomers where the aryl thiol is functionalized by either methoxy or methyl ester are solved by small molecule serial femtosecond X-ray crystallography (smSFX) and single crystal rotational crystallography. While all the methoxy examples have a low quantum yield (0-1%), the methyl ester in the ortho position yields a high quantum yield of 22%. Here, the proximity of the oxygen atoms to the silver inorganic core correlates to a considerable enhancement of quantum yield. Four crystal structures are solved at a resolution range of 0.8–1.0 Å revealing a collapse of the 2D topology for functional groups in the 2- and 3- positions, resulting in needle-like crystals. Further analysis using density functional theory (DFT) and many-body perturbation theory (MBPT) enables the exploration of complex excitonic phenomena within easily prepared material systems.

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

Pore space partition of metal-organic frameworks for gas storage and separation

Pore space partition (PSP) concept is a synthetic design concept and can also serve as a structure analysis method useful for next-step synthetic planning and execution. PSP provides an integrated chemistry-topology-focused tool to design new materials platforms. While PSP is no less effective for making large-pore materials, the growing importance of small-molecule gas storage and separation for green-energy applications provides impetus for developing small-pore materials for which the PSP strategy is uniquely suited. Currently, the best embodiment of the PSP concept is the partitioned-acs (pacs) platform in which both fine or coarse adjustments to the building blocks have sparked a transformation of a prototype framework into a huge and continuously expanding family of chemically robust materials with controllable pore metrics and functionalities suitable for tailored applications. The pacs compositional diversity results from the platform’s intrinsic multi-module nature, geometric flexibility and tolerance towards individual module variations, and mutual structure-directing effects among various modules, all of which combine to enable the molecular-level uniform co-assemblies of chemical components rarely seen together elsewhere. Here, in this contribution, we present an overview of different pore space engineering methods and how different MOF materials have contributed to important advances in chemical stability, industrial gas storage and gas separation. In particular, we will focus on synthetic assembly of the pacs system, highlighting the differences of pacs materials from other MOF platforms and advantages of pacs materials in enhancing various MOF properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Search for dark matter produced in association with a Higgs boson decaying to bottom quarks in proton-proton collisions at $\sqrt{s}=13$ TeV

A search for dark matter particles produced in association with a Higgs boson decaying to a bottom quark-antiquark pair in proton-proton collisions at $\sqrt{s}=13$ TeV is presented. The data, collected with the CMS detector at the LHC, correspond to an integrated luminosity of 101 fb −1 . The analysis is performed in exclusive categories targeting both Lorentz-boosted (merged) and resolved 𝑏 jet pair topologies, covering a wide range of Higgs boson transverse momentum. A statistical combination is made with a previous search using data collected in 2016 and corresponding to an integrated luminosity of 35.9 fb −1 . The observed data agree with the standard model background predictions. Constraints are placed on models predicting new particles or interactions, such as those in the simplified frameworks of baryonic-𝑍′ and 2⁢HDM + 𝑎, where the latter is a type-II two-Higgs-doublet model featuring a heavy pseudoscalar with an additional light pseudoscalar. Upper limits at 95% confidence level are set on the production cross section for these models. For the baryonic-𝑍′ model, 𝑍′ boson masses below 2.25 TeV are excluded for a dark matter particle candidate mass of 1 GeV. In the 2⁢HDM + 𝑎 model, heavy pseudoscalar masses between 850 and 1300 GeV are excluded for a light pseudoscalar mass of 350 GeV.

Hayrapetyan, A. [Yerevan Physics Institute]↗
DOE OSTI2025

Search for triple Higgs boson production in the 6⁢𝑏 final state using 𝑝⁢𝑝 collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the production of three Higgs bosons (𝐻⁡𝐻⁡𝐻) in the $b\bar{b}b\bar{b}b\bar{b}$ final state is presented. The search uses 126 fb −1 of proton-proton collision data at $\sqrt{s}$ =13 TeV collected with the ATLAS detector at the Large Hadron Collider. The analysis targets both nonresonant and resonant production of 𝐻⁡𝐻⁡𝐻. The resonant interpretations primarily consider a cascade decay topology of 𝑋 →𝑆⁢𝐻 → 𝐻⁡𝐻⁡𝐻 with masses of the new scalars 𝑋 and 𝑆 up to 1.5 and 1 TeV, respectively. In addition to scenarios where 𝑆 is off-shell, the nonresonant interpretation includes a search for Standard Model 𝐻⁡𝐻⁡𝐻 production, with limits on the trilinear and quartic Higgs self-coupling set. No evidence for 𝐻⁡𝐻⁡𝐻 production is observed. An upper limit of 59 fb is set, at the 95% confidence level, on the cross section for Standard Model 𝐻⁡𝐻⁡𝐻 production.

Artificial neural networks↗
DOE OSTI2022

Structural Chirality of Polar Skyrmions Probed by Resonant Elastic X-Ray Scattering

An escalating challenge in condensed-matter research is the characterization of emergent orderparameter nanostructures such as ferroelectric and ferromagnetic skyrmions. Their small length scales coupled with complex, three-dimensional polarization or spin structures makes them demanding to trace out fully. Resonant elastic x-ray scattering (REXS) has emerged as a technique to study chirality in spin textures such as skyrmions and domain walls. It has, however, been used to a considerably lesser extent to study analogous features in ferroelectrics. Here, in this study, we present a framework for modeling REXS from an arbitrary arrangement of charge quadrupole moments, which can be applied to nanostructures in materials such as ferroelectrics. With this, we demonstrate how extended reciprocal space scans using REXS with circularly polarized x rays can probe the three-dimensional structure and chirality of polar skyrmions. Measurements, bolstered by quantitative scattering calculations, show that polar skyrmions of mixed chirality coexist, and that REXS allows valuation of relative fractions of right- and left-handed skyrmions. Our quantitative analysis of the structure and chirality of polar skyrmions highlights the capability of REXS for establishing complex topological structures toward future application exploits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Risk-Informed Applications and Science – Past, Present, & Future

This is a presentation to be made at the University of Tokyo. The Idaho National Laboratory is creating the next-generation reliability- and risk-assessment methods and tools that support risk-informed decision-making by combining physics-based models with probabilistic quantification approaches. Integrating these two worlds of physics and probability using a simulation framework leads us to predictions based upon an approach called “computational risk assessment” which will serve as the technical basis for the future of reliability and risk approaches. The driving factors for this new approach includes: temporal (timing issues), spatial (location issues), mechanistic (physics issues), and topological (complexity issues). By combining phenomenology directly with stochastic quantification, we are able to perform advanced uncertainty analysis directly on both parameters and models. In addition, new tools allow for the creation of reduced order models that mimic high-fidelity engineering models while still permitting the realization of thousands of simulation iterations in short run-times on current workstation-class computers. While these advanced methods and tools can provide increased realism in our engineering safety and risk approaches, their greater benefit is to provide a risk-informed engineering framework for design and operation. This talk will briefly review the history of risk assessment and risk-informed applications, describe some of the current research and development found at the Idaho National Laboratory, and discuss potential future applications and approaches for advanced methods and tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Unveiling mesoscopic structures in distorted lamellar phases through deep learning-based small angle neutron scattering analysis

Hypothesis: The formation of distorted lamellar phases, distinguished by their arrangement of crumpled, stacked layers, is frequently accompanied by the disruption of long-range order, leading to the formation of interconnected network structures commonly observed in the sponge phase. Nevertheless, traditional scattering functions grounded in deterministic modeling fall short of fully representing these intricate structural characteristics. Our hypothesis posits that a deep learning method, in conjunction with the generalized leveled wave approach used for describing structural features of distorted lamellar phases, can quantitatively unveil the inherent spatial correlations within these phases. Experiments and Simulations: This report outlines a novel strategy that integrates convolutional neural networks and variational autoencoders, supported by stochastically generated density fluctuations, into a regression analysis framework for extracting structural features of distorted lamellar phases from small angle neutron scattering data. To evaluate the efficacy of our proposed approach, we conducted computational accuracy assessments and applied it to the analysis of experimentally measured small angle neutron scattering spectra of AOT surfactant solutions, a frequently studied lamellar system. Findings: The findings unambiguously demonstrate that deep learning provides a dependable and quantitative approach for investigating the morphology of wide variations of distorted lamellar phases. It is adaptable for deciphering structures from the lamellar to sponge phase including intermediate structures exhibiting fused topological features. In conclusion, this research highlights the effectiveness of deep learning methods in tackling complex issues in the field of soft matter structural analysis and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Evidence for strong electronic correlations in the bulk state of grey arsenic

Here, we investigate the electron band structure of grey arsenic, whose (111) face hosts the topological Shockley state. Interestingly, the bulk band close to the touching point with the surface state exhibits the characteristics of inelastic scattering. Moreover, the band structure analysis reveals linearity in the imaginary part of electron self-energy. These features are analogous to those observed in high-temperature superconductors and marginal Fermi liquid systems, respectively, where strong electronic correlations exist. Our results suggest that correlated many-body states can be connected by non-interacting topological states, providing a viable playground to explore the coupling between topological and correlated states via grey arsenic surface.

ARPES↗
DOE OSTI2024

Local probe of bulk and edge states in a fractional Chern insulator

The fractional quantum Hall effect is a key example of topological quantum many-body phenomena, arising from the interplay between strong electron correlation, topological order and time-reversal symmetry breaking. Recently, a lattice analogue of the fractional quantum Hall effect at zero magnetic field has been observed, confirming the existence of a zero-field fractional Chern insulator (FCI). Despite this, the bulk–edge correspondence—a hallmark of a FCI featuring an insulating bulk with conductive edges—has not been directly observed. In fact, this correspondence has not been visualized in any system for fractional states owing to experimental challenges. Here we report the imaging of FCI edge states in twisted MoTe 2 (t-MoTe 2 ) using microwave impedance microscopy. By tuning the carrier density, we observe the system evolving between metallic and FCI states, the latter of which exhibits insulating bulk and conductive edges, as expected from the bulk–boundary correspondence. Further analysis suggests the composite nature of the FCI edge states. We also observe the evolution of edge states across the topological phase transition as a function of interlayer electric field and reveal exciting prospects of neighbouring domains with different fractional orders. Furthermore, these findings pave the way for research into topologically protected one-dimensional interfaces between various anyonic states at zero magnetic field, such as gapped one-dimensional symmetry-protected phases with non-zero topological entanglement entropy, Halperin–Laughlin interfaces and the creation of non-abelian anyons.

Imaging techniques↗
DOE OSTI2022

Classification of Orbits in Poincare Maps Using Machine Learning

Poincare plots, also called Poincare maps, are used by plasma physicists to understand the behavior of magnetically confined plasma in numerical simulations of a tokamak. These plots are created by the intersection of field lines with a two-dimensional poloidal plane that is perpendicular to the axis of the torus representing the tokamak. A plot is composed of multiple orbits, each created by a different field line as it goes around the torus. Each orbit can have one of four distinct shapes, or classes, that indicate changes in the topology of the magnetic fields confining the plasma. Given the (x, y) coordinates of the points that form an orbit, the analysis task is to assign a class to the orbit, a task that appears ideally suited for a machine learning approach. In this paper, we describe how we overcame two major challenges in solving this problem - creating a high-quality training set, with few mislabeled orbits, and converting the coordinates of the points into features that are discriminating, despite the variation within the orbits of a class and the apparent similarities between orbits of different classes. Our automated approach is not only more objective and accurate than visual classification, but is also less tedious, making it easier for plasma physicists to analyze the topology of magnetic fields from numerical simulations of the tokamak.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Analysis of Double-Output CLL Resonant Converter for All-Electric UAV Applications

This paper presents a double-output resonant converter with high-frequency isolation for unmanned aerial vehicle (UAV) applications. The proposed topology is developed by using a full-bridge resonant inverter and double-output half-bridge active rectifiers. For the control system, a phase-shifted pulse width modulation (PS-PWM) method is utilized to adjusts the power flow among the output rectifiers in a wide voltage range regulation with a central control. The theoretical analysis of the converter is explored using the system model under different load conditions with constant frequency. The proposed system is validated with experimental results using 60 V input source and generating 0 - 100 V in each output at a full power of 500 W with 96% maximum efficiency in the laboratory experimental setup.

Asa, Erdem↗