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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Effective field theory analysis of the first LUX dark matter search

The Large Underground Xenon (LUX) dark matter search was a 250-kg active mass dual-phase time projection chamber that operated by detecting light and ionization signals from particles incident on a xenon target. In December 2015, LUX reported a minimum 90% upper C.L. of 6 x 10 -46 cm 2 on the spin-independent WIMP-nucleon elastic scattering cross section based on a 1.4 x 10 4 kg ∙ day exposure in its first science run. Tension between experiments and the absence of a definitive positive detection suggest it would be prudent to search for WIMPs outside the standard spin-independent/spin-dependent paradigm. Recent theoretical work has identified a complete basis of 14 independent effective field theory (EFT) operators to describe WIMP-nucleon interactions. In addition to spin-independent and spin-dependent nuclear responses, these operators can produce novel responses such as angular-momentum-dependent and spin-orbit couplings. Here we report on a search for all 14 of these EFT couplings with data from LUX's first science run. Limits are placed on each coupling as a function of WIMP mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Two-Dimensional Moiré Polaronic Electron Crystals

Two-dimensional moiré materials have emerged as the most versatile platform for realizing quantum phases of electrons. Here, we explore the stability origins of correlated states in WSe 2 /WS 2 moiré superlattices. We find that ultrafast electronic excitation leads to partial melting of the Mott states on timescales 5 times longer than predictions from the charge hopping integrals and that the melting rates are thermally activated, with activation energies of 1⁢8±3 and 1⁢3±2 meV for the one- and two-hole Mott states, respectively, suggesting significant electron-phonon coupling. A density functional theory calculation of the one-hole Mott state confirms polaron formation and yields a hole-polaron binding energy of 16 meV. These findings reveal a close interplay of electron-electron and electron-phonon interactions in stabilizing the polaronic Mott insulators at transition metal dichalcogenide moiré interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Transition from weak to strong coupling in thermal gauge theories: Lessons from 𝒩 = 4 SYM theory

We investigate the transition between weak and strong coupling in thermal 𝒩 =4 supersymmetric Yang-Mills theory as a function of ’t Hooft coupling 𝜆 for several quantities of phenomenological interest for which next-to-leading order calculations are available in both regimes. We use Padé approximants to interpolate between the weak and strong coupling expansions and determine the location and width of the transition between the asymptotic regimes.

Gauge Theories↗
DOE OSTI2023

Toward Consistent High-Fidelity Quantum Learning on Unstable Devices via Efficient In-Situ Calibration

In the near-term noisy intermediate-scale quantum (NISQ) era, high noise will significantly reduce the fidelity of quantum computing. What's worse, recent works reveal that the noise on quantum devices is not stable, that is, the noise is dynamically changing over time. This leads to an imminent challenging problem: At run-time, is there a way to efficiently achieve a consistent high-fidelity quantum system on unstable devices? To study this problem, we take quantum learning (a.k.a., variational quantum algorithm) as a vehicle, which has a wide range of applications, such as combinatorial optimization and machine learning. A straightforward approach is to optimize a variational quantum circuit (VQC) with a parameter-shift approach on the target quantum device before using it; however, the optimization has an extremely high time cost, which is not practical at run-time. To address the pressing issue, in this paper, we proposed a novel quantum pulse-based noise adaptation framework, namely QuPAD. In the proposed framework, first, we identify that the CNOT gate is the fidelity bottleneck of the conventional VQC, and we employ a more robust parameterized multi-qubit gate (i.e., Rzx gate) to replace CNOT gate. Second, by benchmarking Rzx gate with different parameters, we build a fitting function for each coupling qubit pair, such that the deviation between the theoretic output of Rzx gate and its on-device output under a given pulse amplitude and duration can be efficiently predicted. On top of this, an evolutionary algorithm is devised to identify the pulse amplitude and duration of each Rzx gate (i.e., calibration) and find the quantum circuits with high fidelity. Experiments show that the runtime on quantum devices of QuPAD with 8–10 qubits is less than 15 minutes, which is up to 270 x faster than the parameter-shift approach. In addition, compared to the vanilla VQC as a baseline, QuPAD can achieve 59.33% accuracy gain on a classification task, and average 66.34% closer to ground state energy for molecular simulation.

Hu, Zhirui↗
DOE OSTI2023

Discovering polyelemental nanostructures with redistributed plasmonic modes through combinatorial synthesis

Coupling plasmonic and functional materials provides a promising way to generate multifunctional structures. However, finding plasmonic nanomaterials and elucidating the roles of various geometric and dielectric configurations are tedious. This work describes a combinatorial approach to rapidly exploring and identifying plasmonic heteronanomaterials. Symmetry-broken noble/non-noble metal particle heterojunctions (~100 nanometers) were synthesized on multiwindow silicon chips with silicon nitride membranes. The metal types and the interface locations were controlled to establish a nanoparticle library, where the particle morphology and scattering color can be rapidly screened. By correlating structural data with near- and far-field single-particle spectroscopy data, we found that certain low-energy plasmonic modes could be supported across the heterointerface, while others are localized. Furthermore, we found a series of triangular heteronanoplates stabilized by epitaxial Moiré superlattices, which show strong plasmonic responses despite largely comprising a lossy metal (~70 atomic %). These architectures can become the basis for multifunctional and cost-effective plasmonic devices.

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

Innovations Driven by Advanced Characterization to Strategize Critical Mineral Production and Beneficial Reuse from Fossil Energy Waste

Critical minerals (CM), such as rare earth elements (REE), cobalt, nickel, and lithium, have important uses in modern electronics and advanced manufacturing, yet are vulnerable to potential supply chain disruptions. Relatively abundant and readily available fossil energy (FE) wastes, such as coal combustion ash, acid mine drainage (AMD) and treatment solids (AMD solids), and Oil and Gas (O&G) drilling wastes (drill cuttings and produced waters) are under consideration as CM feedstocks. The National Energy Technology Laboratory (NETL) has studied CM resources for various FE wastes as part of the U.S. Department of Energy’s mission of bolstering the domestic CM supply, and makes the data available to the public on EDX at sites such as the NEWTS group. Advanced characterization utilizing synchrotron x-ray techniques coupled with laboratory extractions has been performed to identify CM hosting phases in these FE wastes to inform CM recoverability mechanisms. Novel methods to selectively recover CMs while co-producing other valuable byproducts have been developed. Successful examples discussed here include: (1) The identification of REE/Co/Ni/Sc binding and hosting phases in select FE waste (coal combustion ash and AMD solids), resulting in the development of a patented CM step-extraction process, (2) coupled production of functional sorbents from these extraction wastes and for CM recovery. A pilot-scale testing to evaluate the patent’s technical feasibility for extracting REE from coal ash on a barrel scale has been successfully performed. Additionally, (3) evaluation and measurements of brine geochemistry from U.S. O&G produced waters has informed a high Li recovery potential from Marcellus Shale produced water. NETL researchers have been developing tailored pre-treatment processes, an innovative and highly durable lithium sorbent, and geochemical model guided precipitation to accelerate Li production from the Marcellus Shale produced waters. These innovations driven by characterization are integral for maximizing and advancing the potential for CM recovery while offsetting the cost and environmental footprint for FE waste management.

critical mineral processing↗
DOE OSTI2026

Influence of Surface Treatment on the Interfacial and Mechanical Performance of Metal-Insert Overmolded Composites

Structural composites with metal inserts are gaining increasing interest enabling light weight design for energy efficiency, provide insulation, corrosion protection without compromising mechanical integrity. Such over molded metal-polymer composites show strong potential in many automotive and aerospace component parts, e.g. car bumper, chassis, door, brackets, fasteners, etc. Despite several advantages, metal-polymer dissimilar interface remains a weak spot in structural design, requiring further investigation to improve interfacial interlocking. The current work focuses on enhancing the metal-polymer adhesion between stainless steel inserts and polymer matrices (e.g. acrylonitrile butadiene styrene resin (ABS), and polyamide 66 (PA66) through surface treatment via chemical etching and mechanical roughening. In the chemical etching process, metal substrates were treated with aqua regia solution for different time intervals to evaluate surface roughness measured by water contact angle and morphology analysis. For mechanical roughening approach, metal inserts were subjected to blasting for surface abrasion. Treated samples were also functionalized with aminosilane coupling agent which showed successful grafting on the surface measured by water contact angle. Metal inserts with micro level surface roughness through etching exhibited significant 21% improvement in adhesion strength compared to untreated inserts; however, the effect of silane treatment on the interfacial strength was found to be highly matrix dependent.

Saha, Subhabrata [ORNL] (ORCID:000000033966064X)↗
DOE OSTI2022

Single-Step Fabrication of Au-Fe-BaTiO3 Nanocomposite Thin Films Embedded with Non-Equilibrium Au-Fe Alloyed Nanostructures

Nanocomposite thin film materials present great opportunities in coupling materials and functionalities in unique nanostructures including nanoparticles-in-matrix, vertically aligned nanocomposites (VANs), and nanolayers. Interestingly the nanocomposites processed through a non-equilibrium processing method, e.g., pulsed laser deposition (PLD), often possess unique metastable phases and microstructures that could not achieve using equilibrium techniques, and thus lead to novel physical properties. In this work, a unique three-phase system composed of BaTiO3 (BTO), with two immiscible metals, Au and Fe, is demonstrated. By adjusting the deposition laser frequency from 2 Hz to 10 Hz, the phase and morphology of Au and Fe nanoparticles in BTO matrix vary from separated Au and Fe nanoparticles to well-mixed Au-Fe alloy pillars. This is attributed to the non-equilibrium process of PLD and the limited diffusion under high laser frequency (e.g., 10 Hz). The magnetic and optical properties are effectively tuned based on the morphology variation. This work demonstrates the stabilization of non-equilibrium alloy structures in the VAN form and allows for the exploration of new non-equilibrium materials systems and their properties that could not be easily achieved through traditional equilibrium methods.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Radiative transitions involving the (2p2)(3 Pe) metastable autodetaching of H(-)

The absorption coefficient for the free-bound transition H (ls) + e(-)+ h omega yields H(-)(2 sq p,(3)P(e)) is calculated (together with the differential emission rate for the inverse process) using ls - 2s - 2p close coupling continuum wave functions and a Hylleraas bound state wave function. A maximum in the absorption and emission spectra is found to occur at a photon wavelength of 1219.5 A, which is 2 A closer to the Lyman alpha line than predicted by the calculations of Drake, and is in closer agreement with the stellar absorption feature identified by Heap and Stecher. The free-bound absorption process appears to be a significant source of continuous ultraviolet opacity.

Jacobs, V. L.↗
NASA NTRS1975

Head-eye tracking in two-dimensional pursuit tasks

The neurological control systems for the eye and head are studied by investigating dynamic eye and head rotations in two degrees of freedom using bandlimited, white noise stimuli, nominally wide field of view stimulus presentations of + or - 10 deg and power spectral analysis of the data to produce input/output transfer and coherence functions. Determined were frequency response characteristics of these systems, the linearity of the transfer functions in both coupled and decoupled vertical and horizontal stimulus/response reference axes and the amount of cross axis coupling present in system responses. A comparative study was also conducted to assess the differences in response characteristics between single axis and dual axis visual stimulation for the same subject.

Shirachi, D. K.↗
NASA NTRS1976

Polyatomic molecule vibrations

Polyatomic molecule vibrations are analyzed as harmonic vibrations along normal coordinates. The energy eigenvalues are found for linear and nonlinear symmetric triatomic molecules for valence bond models of the potential function with arbitrary coupling coefficients; such models can usually be fitted to observed energy levels with reasonably good accuracy. Approximate normal coordinates for the H2O molecule are discussed. Degenerate vibrational modes such as occur in CO2 are analyzed and expressions for Fermi resonance between close-lying states of the same symmetry are developed. The bending modes of linear triatomic molecules are expressed in terms of Laguerre polynomials in cylindrical coordinates as well as in terms of Hermite polynomials in Cartesian coordinates. The effects of large-amplitude bending such as occur in the C3 molecule are analyzed, along with anharmonic effects, which split the usually degenerate bending mode energy levels. Finally, the vibrational frequencies, degeneracies, and symmetry properties of XY3, X2Y2, and XY4 type molecules are discussed.

Source record↗
NASA NTRS1983

Effects of AP particle size on combustion response to crossflow

An analytical model is developed for the linearized velocity-coupled combustion response function. The model treats elements of response to perturbations in pressure, in composition due to the heterogeneity of composite propellants, and in crossflow velocity. The effects of AP particle size are accounted for in terms of effects on controlling ballistics properties and in terms of fluctuations in propellant composition. There are two facets of the crossflow problem: the effect of crossflow velocity on the various response elements, and the response to velocity perturbations. Both are dealt with in this paper. Important trends derived from series of parametric computations are described.

Cohen, N. S.↗
NASA NTRS1985

Deconfining phase transition and the continuum limit of lattice quantum chromodynamics

A large-scale Monte Carlo calculation is presented of the deconfining phase-transition temperature in lattice quantum chromodynamics without fermions. By using the Wilson action, it is found that the transition temperature as a function of the lattice coupling g is consistent with scaling behavior dictated by the perturbative beta function for 6/g-squared greater than 6.15.

Gottlieb, S. A.↗
NASA NTRS1987

Effectiveness of back-to-back testing

Three models of back-to-back testing processes are described. Two models treat the case where there is no intercomponent failure dependence. The third model describes the more realistic case where there is correlation among the failure probabilities of the functionally equivalent components. The theory indicates that back-to-back testing can, under the right conditions, provide a considerable gain in software reliability. The models are used to analyze the data obtained in a fault-tolerant software experiment. It is shown that the expected gain is indeed achieved, and exceeded, provided the intercomponent failure dependence is sufficiently small. However, even with the relatively high correlation the use of several functionally equivalent components coupled with back-to-back testing may provide a considerable reliability gain. Implications of this finding are that the multiversion software development is a feasible and cost effective approach to providing highly reliable software components intended for fault-tolerant software systems, on condition that special attention is directed at early detection and elimination of correlated faults.

Vouk, Mladen A.↗
NASA NTRS1987

Quantum fluctuations of the superconducting cosmic string

Quantum fluctuations of the proposed superconducting string with Bose charge carriers are studied in terms of the vortices on the string world sheet. In the thermodynamical limit, it is found that they appear in the form of free vortices rather than as bound pairs. This fluctuation mode violates the topological conservation law on which superconductivity is based. However, this limit may not be reached. The critical size of the superconducting string is estimated as a function of the coupling constants involved.

Zhang, Shoucheng↗
NASA NTRS1991

A tidal wind model for 85-120 km based on CIRA-86 - A feasibility study

The feasibility of deriving a climatology of the diurnal variations of the wind in the 85-120 km region from the tidal components of density, temperature and composition contained in the new COSPAR CIRA-86 is examined. The CIRA density and temperature model is employed to derive the eastward and northward pressure gradient forces that serve as the forcing functions in the coupled momentum equations. At midlatitudes, the model shows some of the general features observed in the radar tidal data, e.g., the dominant semidiurnal tide with increasing amplitude with height and clockwise (counterclockwise) rotation of the velocity vector seen in the Northern (Southern) Hemisphere.

Fleming, E. L.↗
NASA NTRS1993

Open-shell coupled-cluster theory

An efficient formulation of a recently proposed open-shell singles and doubles coupled-cluster (OCCSD) method is presented. This formulation is in terms of spatial orbital one- and two-electron integrals. Our new OCCSD method is based on 'symmetric spin orbitals' and is thus symmetric (or antisymmetric) in the spin indices. It therefore contains about half the number of independent parameters in the coupled-cluster wave function compared to other open-shell CCSD methods. It is shown that the formulation presented here contains less than half the number of n exp 6 steps (where n is the number of molecular orbitals) of other recently proposed open-shell CCSD methods. A new approach by which amplitudes in our method may be compared with amplitudes in a previous OCCSD method is examined.

Jayatilaka, Dylan↗