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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Decision-tree structures utilizing a phase-transition material

The rich internal physics due to competing electronic phases present in phase-transition materials such as VO2 offer the potential for compact building block design for emerging non-von Neumann computing technologies. Here, based on the relaxation dynamics of an insulator-metal phase transition, we demonstrate experimentally a decision-tree classifier embedded within a single volatile resistive switching device. The tree is constructed by the combination of the voltage pulse and relaxation time and can adapt to different tasks. We use machine learning to analyze the relaxation process, enabling a predictive voltage-relaxation time phase diagram for the electrical resistance state. Classification of the etiology of the chronic cough is presented as a proof-of-principle use case. Further, our approach can be generalized to broader classes of solid-state and solid-liquid interfacial systems that demonstrate a variety of phase relaxations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Orbital magnetization of Floquet topological systems

A general expression for the orbital magnetization of a Floquet system is derived. The expression holds for a clean system, and is valid for any driving protocol, and arbitrary occupation of the bands. The orbital magnetization is shown to be large not only for Chern insulators, but also for anomalous phases where the Chern number does not fully account for the topology. In addition, the orbital magnetization is shown to take significant values both for a thermal equilibrium occupation of the Floquet bands, and for occupations determined by a quantum quench from an initial state with zero orbital magnetization. For the latter case, the orbital magnetization is shown to be highly sensitive to van Hove singularities of the Floquet bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Influence of local symmetry on lattice dynamics coupled to topological surface states

Herein we investigate coupled electron-lattice dynamics in the topological insulator Bi 2 Te 3 with time-resolved photoemission and time-resolved x-ray diffraction. It is well established that coherent phonons can be launched by optical excitation, but selection rules generally restrict these modes to zone-center wave vectors and Raman-active branches. We find that the topological surface state couples to additional modes, including a continuum of surface-projected bulk modes from both Raman and infrared branches, with possible contributions from surface-localized modes when they exist. Our calculations show that this surface vibrational spectrum occurs naturally as a consequence of the translational and inversion symmetries broken at the surface, without requiring the splitting-off of surface-localized phonon modes. The generality of this result suggests that coherent phonon spectra are useful by providing unique fingerprints for identifying surface states in more controversial materials. These effects may also expand the phase space for tailoring surface state wave functions via ultrafast optical excitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Some aspects of the behavior of materials used in mechanical vibration insulating techniques

The inadequacy is considered of characterizing a vibration insulating material by its dynamic modulus of elasticity as determined by the resonance method. It is shown that the dynamic modulus of elasticity actually depends on the material's loading speed as well as on the volume of the load, so that it is necessary to determine its variation as a function of the two parameters. The needed values are to be derived for actual conditions of use.

Pupazen, C.↗
DOE OSTI2026

Electronic correlations and topology in Kondo insulator PuB 6

Utilizing a combination of dynamical mean field theory (DMFT) and density functional theory, it has been theoretically proposed that PuB 6 is a strongly correlated topological insulator characterized by nontrivial 𝐙 2 topological invariants and metallic surface states [X. Deng et al., Phys. Rev. Lett. 111, 176404 (2013)]. Here, we demonstrate through low-temperature magnetotransport measurements and first-principles calculations that PuB 6 exhibits characteristics of a topological Kondo insulating state. These features include a transition in electrical resistivity from high-temperature, thermally activated behavior with a narrow gap at the Fermi level (Δ⁢𝜌 ∼ 20 meV) to a distinctive low-temperature plateau, as well as a surface-to-volume dependence of electrical resistivity at low temperatures. The topological nature of PuB 6 is further supported by the theoretical calculations, which show that GGA + 𝑈 is capable of capturing electronic, topological, and lattice properties of PuB 6 with much lower computational cost than DMFT.

36 - MATERIALS SCIENCE↗
DOE OSTI2021

Energy performance analysis of smart wall system with switchable insulation and thermal storage capacity

The ever-increasing global energy demand and the issues caused by population growth and unsustainable energy resource usages have several environmental and economic impacts. The on-demand capability of dynamic wall systems with switchable insulation systems can contribute toward energy efficiency and reduced electric cost using "building-as-a-battery." In this paper, the performance of an exterior envelope system that employs a switchable insulation system is investigated. A COMSOL simulation was used to study the envelope performance under three switchable insulation locations in the wall system. The on and off switching cycle included insulating or conducting the exterior, interior, or both sides of the mass wall system. To validate the simulation work, an experimental test was conducted in climate chamber on a 4 × 8 in. wall system with identical wall components used in the COMSOL simulation. Results show a good agreement between the experiment and simulation results. The wall system with switchable insulation placed on the exterior side provided the highest interior inward heat flux when compared with the interior or split insulation. Also, an exterior switchable insulation system in addition to a thermal mass maintained a positive heat flow for more hours when the outdoor temperature was lower than the interior temperature.

Iffa, Emishaw↗
DOE OSTI2022

Ultrafast optical control of surface and bulk magnetism in magnetic topological insulator/antiferromagnet heterostructure

Abstract Optical control of the magnetic properties in topological insulator systems is an important step in applying these materials in ultrafast optoelectronic and spintronic schemes. In this work, we report the experimental observation of photo-induced magnetization dynamics in the magnetically doped topological insulator (MTI)/antiferromagnet (AFM) heterostructure composed of Cr-(Bi,Sb) 2 Te 3 /CrSb. Through proximity coupling to the AFM layer, the MTI displays a dramatically enhanced magnetism, with robust perpendicular magnetic anisotropy. When subjected to intense laser irradiation, both surface and bulk magnetism of the MTI are weakened by laser-induced heating of the lattice, however, at the surface, the deleterious heat effect is compensated by the strengthening of Dirac-hole-mediated exchange coupling as demonstrated by an unconventional pump-fluence-dependent exchange-bias effect. Through theoretical analyses, the sizes of exchange coupling energies are estimated in the MTI/AFM bilayer structure. The fundamentally different mechanisms supporting the surface and bulk magnetic order in MTIs allow a novel and distinctive photo-induced transient magnetic state with antiparallel spin configuration, which broadens the understanding of the magnetization dynamics of MTIs under ultrashort and intense optical excitation.

42 ENGINEERING↗
DOE OSTI2023

Ultrafast lattice disordering can be accelerated by electronic collisional forces

In the prevalent picture of ultrafast structural phase transitions, the atomic motion occurs in a slowly varying potential energy surface determined adiabatically by the fast electrons. However, this ignores non-conservative forces caused by electron-lattice collisions, which can significantly influence atomic motion. Most ultrafast techniques only probe the average structure and are less sensitive to random displacements, and therefore do not detect the role played by non-conservative forces in phase transitions. Here we show that the lattice dynamics of the prototypical insulator-to-metal transition of VO 2 cannot be described by a potential energy alone. We use the sample temperature to control the preexisting lattice disorder before ultrafast photoexcitation across the phase transition and our ultrafast diffuse scattering experiments show that the fluctuations characteristic of the rutile metal develop equally fast (120 fs) at initial temperatures of 100 K and 300 K. This indicates that additional non-conservative forces are responsible for the increased lattice disorder. In conclusion, these results highlight the need for more sophisticated descriptions of ultrafast phenomena beyond the Born-Oppenheimer approximation as well as ultrafast probes of spatial fluctuations beyond the average unit cell measured by diffraction.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Electrical Endurance to Extrinsic Aging of Polyphenylsulfone-Boron Nitride Composite Insulation for Aeronautical Power Systems

Various insulating materials which can be potentially used in energy application, especially in electrified transportation, are investigated in this paper. They are based on Polyphenylsulfone matrix filled by macro and nano hexagonal Boron-nitride particles. Our study focuses on electrical properties, particularly endurance to partial discharges. Upon developing an original testing procedure and adequate partial discharge inception modeling, it is shown that that the h-BN micron and nano fillers can significantly improve the dielectric strength and resistance of PPSU to extrinsic aging, even in comparison with the insulating material typically used for electrified transportation, i.e., corona resistant polyimide. Also, a new diagnostic marker, extracted from partial discharge monitoring and analytics obtained by an innovative software, i.e., the likelihood surface discharge identification, seems to be very promising for dynamic residual life prediction for an insulation system subjected to surface discharges.

Polyphenylsulfone (PPSU)↗
DOE OSTI2025

Effect of Transverse Compression on the Dielectric Breakdown of Power Cable with Ethylene Propylene Rubber Insulation

Understanding of the failure mechanisms of submarine dynamic power cables (SDPC) is critical for innovative design to meet the 2035 cost reduction target of U.S. DOE Floating Offshore Wind Shot. This is important because the current design suffers a significant failure rate in the field. This project explored a multiphysics approach and conducted systematic electro-thermo-mechanical (ETM) experimental study on the power cores extracted from a 15 kV power cable. The power cable had three cores of copper conductor and ethylene propylene rubber (EPR) insulation. An ETM testing system with transverse compression capability was developed. Mechanical loading induced dielectric breakdown. Increasing temperature from room temperature (RT, 22 degrees Celsius) to 90 degrees Celsius resulted in the 67% decrease in the failure mechanical load as defined by the dielectric breakdown. With the same temperature rise, the creep mechanical load was reduced by 70% at a given dielectric breakdown time. The post-test measurement revealed an impressive recovery of electrical resistance, although the dielectric breakdown occurred in the ETM test that would not be captured without the use of ETM testing.

Wang, Hong [ORNL] (ORCID:0000000201730545)↗
DOE OSTI2022

Experimental realization of linearly polarized x-ray detected ferromagnetic resonance

We present the first theoretical and experimental evidence of time-resolved dynamic x-ray magnetic linear dichroism (XMLD) measurements of GHz magnetic precessions driven by ferromagnetic resonance in both metallic and insulating thin films. Our findings show a dynamic XMLD in both ferromagnetic Ni 80 Fe 20 and ferrimagnetic Ni 0.65 Zn 0.35 Al 0.8 Fe 1.2 O 4 for different measurement geometries and linear polarizations. A detailed analysis of the observed signals reveals the importance of separating different harmonic components in the dynamic signal in order to identify the XMLD response without the influence of competing contributions. In particular, RF magnetic resonance elicits a large dynamic XMLD response at the fundamental frequency under experimental geometries with oblique x-ray polarization. The geometric range and experimental sensitivity can be improved by isolating the 2ω Fourier component of the dynamic response. These results illustrate the potential of dynamic XMLD and represent a milestone accomplishment toward the study of GHz spin dynamics in systems beyond ferromagnetic order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Reinvestigation of crystal symmetry and fluctuations in La 2 CuO 4

New surprises continue to be revealed about La 2 CuO 4 , the parent compound of the original cuprate superconductor. In this study we present neutron scattering evidence that the structural symmetry is lower than commonly assumed. The static distortion results in anisotropic Cu-O bonds within the CuO 2 planes; such anisotropy is relevant to pinning charge stripes in hole-doped samples. Associated with the extra structural modulation is a soft phonon mode. If this phonon were to soften completely, the resulting change in CuO 6 octahedral tilts would lead to weak ferromagnetism. Hence, we suggest that this mode may be the “chiral” phonon inferred from recent studies of the thermal Hall effect. We also note the absence of interaction between the antiferromagnetic spin waves and low-energy optical phonons, in contrast to what is observed in hole-doped samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Floquet-driven indirect exchange interaction mediated by topological insulator surface states

Light drives offer a potential tool for the dynamical control of magnetic interactions in matter. We theoretically investigate the indirect exchange coupling between two parallel chains of magnetic impurities on the surface of a topological insulator, driven by a time-periodic circularly polarized light field in the high-frequency, off-resonant regime. We derive a closed-form analytic expression for the spin susceptibility of the photon-dressed topological insulator surface states and obtain the irradiation dependence of the Ising, Heisenberg, and Dzyaloshinskii-Moriya exchange couplings between the impurity chains. Our results show a two-pronged modification of these exchange couplings by periodic drives. First, the Ruderman-Kittel-Kasuya-Yosida (RKKY) oscillation period of the exchange couplings can be extended by enhancing the driving strength. Second, increasing driving strength enhances the envelope of RKKY oscillations of the Ising type while suppressing those of the Heisenberg type and Dzyaloshinskii-Moriya type. Furthermore, our work provides useful insights for realizing Floquet engineering of collinear and noncollinear indirect exchange interactions in topological insulating systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

An atomic cluster expansion (ACE) potential for water under extreme conditions

We present a machine learning interatomic potential for water designed to capture its complex multiphase behavior, including both molecular and superionic ice phases. The potential is based on the atomic cluster expansion (ACE) formulation and has been parameterized to enable high-fidelity molecular dynamics simulations of water under extreme conditions, for pressures up to 100 GPa and for temperatures between 500 and 6000 K. A diverse range of configurations was generated through ab initio molecular dynamics (AI-MD) simulations, covering insulating and superionic ice phases, liquid water, and dissociated plasma phase. We demonstrate that the H 2 O ACE potential accurately reproduces experimental and DFT predicted isotherms and Hugoniots. Crucially, the potential is able to capture the intricate phase behavior of water, including the transition from molecular fluid to the appropriate solid ice phases, and the superionic ice phases. This work provides a robust interatomic potential that can be used for large-scale, accurate simulations of water under extreme thermodynamic conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Terahertz-Driven Local Dipolar Correlation in a Quantum Paraelectric

Light-induced ferroelectricity in quantum paraelectrics is a new avenue of achieving dynamic stabilization of hidden orders in quantum materials. In this Letter, we explore the possibility of driving a transient ferroelectric phase in the quantum paraelectric KTaO 3 via intense terahertz excitation of the soft mode. We observe a long-lived relaxation in the terahertz-driven second harmonic generation (SHG) signal that lasts up to 20 ps at 10 K, which may be attributed to light-induced ferroelectricity. Through analyzing the terahertz-induced coherent soft-mode oscillation and finding its hardening with fluence well described by a single-well potential, we demonstrate that intense terahertz pulses up to 500 kV=cm cannot drive a global ferroelectric phase in KTaO 3 . Instead, we find the unusual long-lived relaxation of the SHG signal comes from a terahertz-driven moderate dipolar correlation between the defect-induced local polar structures. We discuss the impact of our findings on current investigations of the terahertz-induced ferroelectric phase in quantum paraelectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Effect of Mechanical Deformation on the Dielectric Electric Field in Dynamic Umbilical Cables

Wave energy converter (WEC) systems have unique umbilical cable design requirements compared to conventional marine designs. Due to their dynamic nature, WEC umbilical cables are required to handle increased loads and larger motions over longer deployment scenarios. However, the life expectancy of dynamic umbilical cables is predominantly analyzed for mechanical fatigue, with little consideration given to the effect of mechanical stress on the response of the dielectric as it has been previously assumed that the non-polymeric components will fail prior to the polymeric components. In this work, we explore the effects of mechanical bending on the concentration of the electric field in the insulation of a conceptual three-core dynamic umbilical cable to determine the limiting requirements for life expectancy. A conceptual industrial schematic of a medium voltage dynamic umbilical cable was used as the basis for the WEC system under study. Simulations on the dynamic umbilical cable were performed using COMSOL Multiphysics®. Mechanical loads up to the calculated limit (2.64 m minimum bend radius or 388 kN transverse load) were applied to the dynamic umbilical in a step-wise fashion with one end of the umbilical cable fixed. One-way coupling in three-dimensions was conducted by first determining the engineering strains, then using the engineering strains as the initial condition for determination of the Green-Lagrange strains, and lastly calculating the electric field in the deformed dielectric. Based upon the input load, deformation of the dielectric at the minimum bend radius produced an increase in the electric field of more than 12% when compared to the undeformed umbilical cable, which may lead to dielectric breakdown of the insulation prior to mechanical failure of the umbilical cable.

Spencer, Mychal P.↗
DOE OSTI2024

Quantum fluctuations lead to glassy electron dynamics in the good metal regime of electron doped KTaO 3

One of the central challenges in condensed matter physics is to comprehend systems that have strong disorder and strong interactions. In the strongly localized regime, their subtle competition leads to glassy electron dynamics which ceases to exist well before the insulator-to-metal transition is approached as a function of doping. Here, we report on the discovery of glassy electron dynamics deep inside the good metal regime of an electron-doped quantum paraelectric system: KTaO 3 . We reveal that upon excitation of electrons from defect states to the conduction band, the excess injected carriers in the conduction band relax in a stretched exponential manner with a large relaxation time, and the system evinces simple aging phenomena—a telltale sign of glassy dynamics. Most significantly, we observe a critical slowing down of carrier dynamics below 35 K, concomitant with the onset of quantum paraelectricity in the undoped KTaO 3 . Our combined investigation using second harmonic generation technique, density functional theory and phenomenological modeling demonstrates quantum fluctuation-stabilized soft polar modes as the impetus for the glassy behavior. This study addresses one of the most fundamental questions regarding the potential promotion of glassiness by quantum fluctuations and opens a route for exploring glassy dynamics of electrons in a well-delocalized regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗