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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Electrically Controlled All-Antiferromagnetic Tunnel Junctions on Silicon with Large Room-Temperature Magnetoresistance

Antiferromagnetic (AFM) materials are a pathway to spintronic memory and computing devices with unprecedented speed, energy efficiency, and bit density. Realizing this potential requires AFM devices with simultaneous electrical writing and reading of information, which are also compatible with established silicon-based manufacturing. Recent experiments have shown tunneling magnetoresistance (TMR) readout in epitaxial AFM tunnel junctions. However, these TMR structures are not grown using a silicon-compatible deposition process, and controlling their AFM order required external magnetic fields. Here are shown three-terminal AFM tunnel junctions based on the noncollinear antiferromagnet PtMn 3 , sputter-deposited on silicon. The devices simultaneously exhibit electrical switching using electric currents, and electrical readout by a large room-temperature TMR effect. First-principles calculations explain the TMR in terms of the momentum-resolved spin-dependent tunneling conduction in tunnel junctions with noncollinear AFM electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unusual Quasiparticles and Tunneling Conductance in Quantum Point Contacts in 𝜈 = 2/3 Fractional Quantum Hall Systems

Understanding topological matter in the fractional quantum Hall (FQH) effect requires identifying the nature of edge state quasiparticles. FQH edge state at the filling factor 𝜈 = 2/3 in the spin-polarized and unpolarized phases is represented by the two modes of composite fermions (CF) with the parallel or opposite spins described by the chiral Luttinger liquids. Tunneling through a quantum point contact (QPC) between different or similar spin phases is solved exactly. With the increase of the applied voltage, the QPC conductance grows from zero and saturates at 𝑒 2 /2⁢ℎ while a weak electron tunneling between the edge modes with the same spin transforms into a backscattering carried by the charge 𝑞 = 𝑒/2 quasiparticles. These unusual quasiparticles and conductance plateau emerge when one or two CF spin-polarized modes in the QPC tunnel into a single mode. Here, we propose experiments on the applied voltage and temperature dependence of the QPC conductance and noise that can shed light on the nature of edge states and FQH transport.

Anyons↗
DOE OSTI2025

Mapping the three-dimensional fermiology of the triangular lattice magnet EuAg 4 Sb 2

In this paper, we report the temperature-field phase diagram as well as present a comprehensive study of the electronic structure and three-dimensional fermiology of the triangular-lattice magnet EuAg 4 ⁢Sb 2 , utilizing quantum oscillation measurements, angle-resolved photoemission spectroscopy, and first-principles calculations. The complex magnetic phase diagram of EuAg 4 ⁢Sb 2 highlights many transitions through nontrivial AFM states. Shubnikov-de Haas and de Haas-van Alphen oscillations were observed in the polarized ferromagnetic state of EuAg 4 ⁢Sb 2 , revealing three pairs of distinct spin-split frequency branches with small effective masses. A comparison of the angle-dependent oscillation data with first-principles calculations in the ferromagnetic state and angle-resolved photoemission spectra shows good agreement, identifying tubular hole pockets and hourglass-shaped hole pockets at the Brillouin zone center, as well as diamond-shaped electron pockets at the zone boundary. As the temperature increases, the frequency branches of the tiny hourglass pockets evolve into a more cylindrical shape, while the larger pockets remain unchanged. This highlights that variations in exchange splitting, driven by changes in the magnetic moment, primarily impact the small Fermi pockets without significantly altering the overall band structure. As a result, this is consistent with first-principles calculations, which show minimal changes near the Fermi level across ferromagnetic and simple antiferromagnetic states or under varying on-site Coulomb repulsion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels

We report artificial neural networks (ANNs) have become important in quantum chemistry. Herein, applications to nuclear quantum effects, such as zero-point energy, vibrationally excited states, and hydrogen tunneling, are explored. ANNs are used to solve the time-independent Schrödinger equation for single- and double-well potentials representing hydrogen-bonded molecular systems capable of proton transfer. ANN mappings are trained to predict the lowest five proton vibrational energies, wave functions, and densities from the proton potentials and to predict the excited state proton vibrational energies and densities from the proton ground state density. For the inverse problem, ANN mappings are trained to predict the proton potential from the proton vibrational energy levels or the proton ground state density. This latter mapping is theoretically justified by the first Hohenberg-Kohn theorem establishing a one-to-one correspondence between the external potential and the ground state density. ANNs for two- and three-dimensional systems are also presented to illustrate the straightforward extension to higher dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Twist-angle dependence of moiré excitons in WS 2 /MoSe 2 heterobilayers

Moiré lattices formed in twisted van der Waals bilayers provide a unique, tunable platform to realize coupled electron or exciton lattices unavailable before. While twist angle between the bilayer has been shown to be a critical parameter in engineering the moiré potential and enabling novel phenomena in electronic moiré systems, a systematic experimental study as a function of twist angle is still missing. Here we show that not only are moiré excitons robust in bilayers of even large twist angles, but also properties of the moiré excitons are dependant on, and controllable by, the moiré reciprocal lattice period via twist-angle tuning. From the twist-angle dependence, we furthermore obtain the effective mass of the interlayer excitons and the electron inter-layer tunneling strength, which are difficult to measure experimentally otherwise. These findings pave the way for understanding and engineering rich moiré-lattice induced phenomena in angle-twisted semiconductor van der Waals heterostructures.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Majorana modes with side features in magnet-superconductor hybrid systems

Magnet-superconductor hybrid (MSH) systems represent promising platforms to host Majorana zero modes (MZMs), the elemental building blocks for fault-tolerant quantum computers. Theoretical description of such MSH structures is mostly based on simplified models, not accounting for the complexity of real materials. Here, based on density functional theory, we derive a superconducting 80-band model to study an MSH system consisting of a magnetic manganese chain on the s wave superconductor niobium. For a wide range of values of the superconducting order parameter, the system is a topological superconductor, with MZMs exhibiting non-universal spatial patterns and a drastic accumulation of spectral weight on both sides along the magnetic chain. These side feature states can be explained by an effective model which is guided by the ab initio results. Performing scanning tunneling spectroscopy experiments on the same system, we observe a spatial structure in the low-energy local density of states that is consistent with the theoretical findings. Our results open a first-principle approach to the discovery of topological superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Targeted synthesis and reaction mechanism discussion of Mo 2 C based insertion-type electrodes for advanced pseudocapacitors

Mo 2 C is one of the few compounds that possess good electronic conductivity. Meanwhile, it possesses a natural 1D zigzag tunnel structure that is ideally suited for fast ion diffusion. Here, an effective approach is demonstrated for fabrication of structurally stable N-doped Mo 2 C/C nanobelts. They demonstrate high and fast energy storage ability with initial capacitances of 1139 C g -1 at 1 mV s-1, 151 C g -1 at an extremely high scan rate of 2000 mV s -1 and 208 C g -1 at a discharge current density of 200 A g -1 . After electrochemical activation of cycling, the capacity is continuously enhanced and much higher capacitances of 2523 C g -1 at 1 mV s -1 and 1403 C g -1 at 50 A g -1 are achieved after 15,000 cycles at 50 mV s -1 . Using the power law, it is evaluated that a surface-controlled capacitive process makes the main contribution to the capacity, which is over 90% when the scan rates are higher than 10 mV s -1 and still high as 73% at 1 mV s -1 . From in situ synchrotron XRD, it is found that there is a negligible change in the crystal structure and volume during charging/discharging, reflecting an insertion-type charge storage mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Pathways to excitation of atoms with bicircular laser pulses

We study the excitation of the hydrogen atom by bichromatic circularly polarized laser pulses using numerical solutions of the time-dependent Schrödinger equation. The results are in agreement with the selection rules for multiphoton processes in such fields, namely, excited states are populated in which orbital angular momentum and magnetic quantum numbers are either both odd or both even, independent of the relative helicity, peak intensity, and pulse duration of the pulses. For co-rotating pulses the results show that excitation predominantly proceeds to states with magnetic quantum number of the same helicity as the laser pulses. Besides pathways via direct photon absorption from the ground state our results indicate that a transfer of population among the Rydberg states occurs via Λ-type transitions. In the case of counter-rotating pulses the largest excitation probability is found for Rydberg states that differ in magnetic quantum number by Δm=±3. This pattern allows us to estimate how many photons from each of the two bichromatic fields have been absorbed. Finally, we confirm that a population in Rydberg states beyond a maximum orbital angular quantum number is unlikely.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Strong-field ionization of the triplet ground state of O 2

Using strong-field ionization as a probe, we observe highly nonperiodic evolution of the spin-rotation wave packet launched by a nonionizing femtosecond pulse in oxygen. The nonperiodicity is readily apparent only in rotationally cold molecules that are pumped with a weak alignment pulse. We show that this behavior is a consequence of the spin-rotation and the spin-spin couplings in the triplet ground state of the neutral molecule. A model that includes these couplings in the field-free Hamiltonian but in neither the alignment nor the ionization step explains most of the observed dynamics, suggesting that neither process depends explicitly on the electronic spin. We also show that the angle dependence of strong-field ionization can be retrieved from the delay-dependent signal even when coupling to spin complicates the rotational dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Photoelectron spectra in circularly and elliptically polarized laser pulses

We present results of numerical simulations of the time-dependent Schrödinger equation and theoretical analysis concerning the interaction of a rare gas atom with circularly and elliptically polarized laser pulses. In agreement with recent observation in circularly polarized fields, the photoelectron energy spectra for counterrotating electrons are peaked at lower kinetic energy than those for corotating electrons. We show that this difference can be interpreted as being due to the additional pathways to ionization that are available for the counterrotating electrons only. Furthermore, our results show, in agreement with earlier work, that the offset angle by which the emission of electrons is rotated in an elliptically polarized field increases with each successive above-threshold ionization (ATI) order and is larger for the emission from counterrotating states as compared to that from corotating states. As a result, a simple model based on the interference and relative phase difference between just three continuum states provides remarkable agreement and once again emphasizes the importance of the additional ionization pathways available for the counterrotating electrons.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Observation and origin of multi-THz quantum beats in superfluorescent emission from argon

We report observation of multi-THz quantum beats in the amplitude of superfluorescence in pure argon gas, using a time delayed 780-nm probe beam that interrogates the relevant population densities. The superfluorescence is induced by three-photon absorption of an ultrashort 260.5-nm laser pulse that creates coherent and coupled populations in multiple closely spaced 3⁢d and 5⁢s Ar levels. Argon pressure and pump laser focusing parameters are seen to modify the frequency of the quantum beats, which is attributed to the absorption of the self-generated, nonresonant third harmonic of the pump from Ar near the zero of the real part of the overlapping linear susceptibilities of the closely spaced 3⁢d and 5⁢s excited states. The self-absorption of the phase-matched THG photons creates a coherent population of atoms which acts like an atomic excited state (3⁢ω-induced state). Furthermore, we have also observed a new two-step superfluorescent cascade that results from the population redistribution enabled by the 780-nm probe pulse between the 3⁢d'[5/2] 3 and the 3⁢ω-induced state and gives rise to a previously unknown transition that emits on 1587 nm.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Topologically Protected Flatness in Chiral Moiré Heterostructures

The observation of delicate correlated phases in twisted heterostructures of graphene and transition metal dichalcogenides suggests that moiré flat bands are intrinsically resilient against certain types of disorder. Here, we investigate the robustness of moiré flat bands in the chiral limit of the Bistritzer-MacDonald model—applicable to both platforms in certain limits—and demonstrate drastic differences between the first magic angle and higher magic angles in response to chiral symmetric disorder that arise, for instance, from lattice relaxation. We understand these differences using a hidden constant of motion that permits the decomposition of the non-Abelian gauge field induced by interlayer tunnelings into two decoupled Abelian ones. At all magic angles, the resulting effective magnetic field splits into an anomalous contribution and a fluctuating part. The anomalous field maps the moiré flat bands onto a zeroth Dirac Landau level, whose flatness withstands any chiral symmetric perturbation such as nonuniform magnetic fields due to a topological index theorem—thereby underscoring a topological mechanism for band flatness. Only the first magic angle can fully harness this topological protection due to its weak fluctuating magnetic field. In higher magic angles, the amplitude of fluctuations largely exceeds the anomalous contribution, which we find results in a physically meaningless chiral operator and an extremely large sensitivity to microscopic details and an exponential collapse of the single-particle gap. Through numerical simulations, we further study various types of disorder and identify the scattering processes that are enhanced or suppressed in the chiral limit. Interestingly, we find that the topological suppression of disorder broadening persists away from the chiral limit and is further accentuated by isolating a single sublattice polarized flat band in energy. Our analysis suggests the Berry curvature hot spot at the top of the K and K ′ valence band in the transition metal dichalcogenide monolayers is essential for the stability of its moiré flat bands and their correlated states. Published by the American Physical Society 2025

Crépel, Valentin (ORCID:0000000302403412)↗
DOE OSTI2024

Measurement of Wind Loading on Heliostats at the Crescent Dunes Power Plant: An Overview

The cost of solar collectors constitutes almost one third of the total cost of a CSP plant. One of the ongoing challenges in the design of these collectors is wind loading on mirrors, support structures, and drives. A particular challenge is dynamic wind loading, caused by the turbulent wind flow. To date, the design of solar collector structures has relied on wind tunnel experiments and numerical simulations that do not entirely capture the dynamic effects observed at scale. The CSP industry has shown increased interest in validating the idealized assumptions with measurements obtained in operational settings to improve wind load assumptions and increase reliability and cost-efficiency of the collector design. Further, performance models need realistic assumptions about wind loading and its impact on optical performance. In a parabolic trough field campaign, NREL successfully collected a wealth of long-term, high-resolution wind and loads data [2], that are publicly available and that can be used for the above-mentioned purposes. Heliostats are impacted differently by wind than parabolic troughs, due to their different shape, size, and field layout. To study the impact of wind and turbulence on heliostats, we initiated another field campaign in an operational power- tower plant, Crescent Dunes, in Nevada, USA. In this work, we present an overview of the measurements, first results, and potential implications of wind driven loads on Heliostats.

concentrated solar power↗
DOE OSTI2025

Bismuthene Under Cover: Graphene Intercalation of a Large Gap Quantum Spin Hall Insulator

Abstract The quantum spin Hall insulator bismuthene, a two‐third monolayer of bismuth on SiC(0001), is distinguished by helical metallic edge states that are protected by a groundbreaking 800 meV topological gap, making it ideal for room temperature applications. This massive gap inversion arises from a unique synergy between flat honeycomb structure, strong spin orbit coupling, and an orbital filtering effect that is mediated by the substrate. However, the rapid oxidation of bismuthene in air has severely hindered the development of applications, so far confining experiments to ultra‐high vacuum conditions. Intercalating bismuthene between SiC and a protective sheet of graphene, this barrier is successfully overcome. As demonstrated by scanning tunneling microscopy and photoemission spectroscopy, graphene intercalation preserves the structural and topological integrity of bismuthene, while effectively shielding it from oxidation in air. Hereby, hydrogen is identified as the critical process gas that was missing in previous bismuth intercalation attempts. These findings facilitate ex‐situ experiments and pave the way for the development of bismuthene based devices, signaling a significant step forward in the development of next‐generation technologies.

Chemistry↗
DOE OSTI2020

A Historic Context and Mitigation Documentation for a Portion of the U12n Tunnel Ventilation and Containment Systems, Area 12, Nevada National Security Site, Nye County, Nevada

The National Nuclear Security Administration Nevada Field Office (NNSA/NFO) has proposed repurposing the U12n Vent Hole #2 (SHPO Resource S2488) and the U12n.10 Vent Hole (S2489) for water sampling in the U12n Tunnel. The vent holes are part of the historic ventilation system for the tunnel and are contributing elements to the U12n Tunnel Historic District (D84). In consultation with the SHPO, NNSA/NFO determined the undertaking will have an adverse effect on the vent holes. The NNSA/NFO and the SHPO negotiated a memorandum of (MOA) with stipulations to mitigate adverse effects. This submission is to comply with the stipulations in the executed Memorandum of Agreement Between the National Nuclear Security Administration Nevada Field Office, Environmental Management Nevada Program Office, and the Nevada State Historic Preservation Officer Regarding Repurposing of Portions of the Ventilation System of the U12n Tunnel Complex Located in Area 12 at the Nevada National Security Site. In accordance with the MOA, the manuscript provides a historic context that describes the development and functioning of the historic U12n Tunnel ventilation system for underground nuclear tests (Stipulation III.C). High resolution digital color images of the vent hole containment doors, nearby elements, and overviews were obtained and keyed to a map and a photo index (Stipulation III.A) (Appendix A). Lastly, Architectural Resource Assessment (ARA) forms were completed for each of the vent holes and Historic District D84 (Stipulation III.B) (Appendix B). The documentation including the historic context report, photographs, image files, and resource forms produced to fulfill the terms of the MOA will be archived with the Nuclear Testing Archive in Las Vegas (Stipulation III.D).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Characterization of dot-specific and tunable effective g factors in a GaAs/AlGaAs double quantum dot single-hole device

Difference in g factors in multidot structures can form the basis of dot-selective spin manipulation under global microwave irradiation. Here employing electric dipole spin resonance facilitated by strong spin-orbit interaction (SOI), we observe differences in the extracted values of the single-hole effective g factors of the constituent quantum dots of a GaAs/AlGaAs double quantum dot device at the level of ~ 5 %–10%. We examine the continuous change in the hole g factor with electrical detuning over a wide range of interdot tunnel couplings and for different out-of-plane magnetic fields. The observed tendency of the quantum dot effective g factors to steadily increase on decreasing the interdot coupling or on increasing the magnetic field is attributed to the impact on the SOI of changing the dot confinement potential and heavy-hole light-hole mixing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

The nontrivial effects of annealing on superconducting properties of Nb single crystals

The effect of annealing on the superconducting properties of niobium single crystals was studied using optical, magnetic, and scanning tunneling microscopy (STM) methods. Pieces of the same crystal boule were studied before and after the annealing at 800 ${^\circ}\textrm{C}$, 1400 ${^\circ}\textrm{C}$, and near the melting point of niobium (2477 ${^\circ}\textrm{C}$). The initial samples had a high hydrogen content and low-temperature imaging revealed large hydrides (hundreds of micrometers) appearing below 190 K. The formation of these large precipitates is already completely suppressed by annealing at 800 ${^\circ}\textrm{C}$. However, the overall superconducting properties of the annealed samples did not improve and, in fact, worsened. In particular, the superconducting transition temperature decreased, the upper critical field increased, and the pinning strength increased. In the STM study, the sample was annealed initially at 400 ${^\circ}\textrm{C}$, measured, annealed at 1700 ${^\circ}\textrm{C}$, and measured again. The STM revealed a ‘dirty’ superconducting gap with a significant spatial variation in tunneling conductance after annealing at 400 ${^\circ}\textrm{C}$. The clean gap was recovered after annealing at 1700 ${^\circ}\textrm{C}$. This is likely due to oxygen redistribution near the surface, which is always covered by oxide layers in as-grown crystals. Our results indicate that vacuum annealing at least up to 1400 ${^\circ}\textrm{C}$, while removing a large percentage of hydrogen, introduces additional nanosized defects, likely hydride precipitates, that act as efficient pair-breaking and pinning centers. The dimensionless scattering rate is estimated to have increased from $\Gamma = 0.2$ to about $\Gamma = 0.4$ after annealing at 1400 ${^\circ}\textrm{C}$. These results on single crystals differ drastically from those obtained in polycrystalline bulk niobium (i.e. cut from superconducting radio-frequency cavities), where annealing is known to have a significant positive effect that is attributed to the improvement of the crystalline structure masking the more subtle influence of the hydrides.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Product-promoted acetylene cyclotrimerization to benzene on Ag(111)

Acetylene cyclotrimerization to benzene on Ag(111) has recently been found to be 100% selective. However, it requires monolayer coverages, limiting its practical application due to the high pressure required to attain this surface coverage of acetylene near room temperature. Here, we show that co-adsorbed benzene, the reaction product, promotes cyclotrimerization at submonolayer acetylene coverages without compromising the 100% selectivity of Ag(111) via temperature-programmed desorption experiments. Scanning tunneling microscopy and density functional theory (DFT) calculations elucidate the origin of this effect whereby attractive acetylene–benzene interactions locally compress acetylene domains. DFT calculations further illustrate how co-adsorbed benzene reduces the transition-state energy for formation of the key C 4 intermediate, making cyclotrimerization competitive with desorption. Together, these findings reveal how product-reactant interactions can enhance C–C coupling.

Acetylene cyclotrimerization↗