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At least 217 records · Page 12

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Evidence for charge delocalization crossover in the quantum critical superconductor CeRhIn5

Abstract The nature of charge degrees-of-freedom distinguishes scenarios for interpreting the character of a second order magnetic transition at zero temperature, that is, a magnetic quantum critical point (QCP). Heavy-fermion systems are prototypes of this paradigm, and in those, the relevant question is where, relative to a magnetic QCP, does the Kondo effect delocalize their f -electron degrees-of-freedom. Herein, we use pressure-dependent Hall measurements to identify a finite-temperature scale E loc that signals a crossover from f -localized to f -delocalized character. As a function of pressure, E loc ( P ) extrapolates smoothly to zero temperature at the antiferromagnetic QCP of CeRhIn 5 where its Fermi surface reconstructs, hallmarks of Kondo-breakdown criticality that generates critical magnetic and charge fluctuations. In 4.4% Sn-doped CeRhIn 5 , however, E loc ( P ) extrapolates into its magnetically ordered phase and is decoupled from the pressure-induced magnetic QCP, which implies a spin-density-wave (SDW) type of criticality that produces only critical fluctuations of the SDW order parameter. Our results demonstrate the importance of experimentally determining E loc to characterize quantum criticality and the associated consequences for understanding the pairing mechanism of superconductivity that reaches a maximum T c in both materials at their respective magnetic QCP.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Programmable catalysis by support polarization: elucidating and breaking scaling relations

The Sabatier principle and the scaling relations have been widely used to search for and screen new catalysts in the field of catalysis. However, these powerful tools can also serve as limitations of catalyst control and breakthrough. To overcome this challenge, this work proposes an efficient method of studying catalyst control by support polarization from first-principles. The results demonstrate that the properties of catalysts are determined by support polarization, irrespective of the magnitude of spontaneous polarization of support. The approach enables elucidating the scaling relations between binding energies at various polarization values of support. Moreover, we observe the breakdown of scaling relations for the surface controlled by support polarization. By studying the surface electronic structure and decomposing the induced charge into contributions from different atoms and orbitals, we identify the inherent structural property of the interface that leads to the breaking of the scaling relations. Specifically, the displacements of the underlying oxide support impose its symmetry on the catalyst, causing the scaling relations between different adsorption sites to break.

Chemical engineering↗

DOE OSTI2015

Frequency-dependent local field factors in dielectric liquids by a polarizable force field and molecular dynamics simulations

A force field model for calculating local field factors, i.e. the linear response of the local electric field for example at a nucleus in a molecule with respect to an applied electric field, is discussed. It is based on a combined charge-transfer and point-dipole interaction model for the polarizability, and thereby it includes two physically distinct terms for describing electronic polarization: changes in atomic charges arising from transfer of charge between the atoms and atomic induced dipole moments. A time dependence is included both for the atomic charges and the atomic dipole moments and if they are assumed to oscillate with the same frequency as the applied electric field, a model for frequency-dependent properties are obtained. Furthermore, if a life-time of excited states are included, a model for the complex frequency-dependent polariability is obtained including also information about excited states and the absorption spectrum. We thus present a model for the frequency-dependent local field factors through the first molecular excitation energy. It is combined with molecular dynamics simulations of liquids where a large set of configurations are sampled and for which local field factors are calculated. We are normally not interested in the average of the local field factor but rather in configurations where it is as high as possible. In electrical insulation, we would like to avoid high local field factors to reduce the risk for electrical breakdown, whereas for example in surface-enhanced Raman spectroscopy, high local field factors are desired to give dramatically increased intensities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Revealing a 3D Fermi Surface Pocket and Electron-Hole Tunneling in UTe 2 with Quantum Oscillations

Spin triplet superconductor UTe 2 is widely believed to host a quasi-two-dimensional Fermi surface, revealed by first-principles calculations, photoemission and quantum oscillation measurements. An outstanding question still remains as to the existence of a three-dimensional Fermi surface pocket, which is crucial for our understanding of the exotic superconducting and topological properties of UTe 2 . This 3D Fermi surface pocket appears in various theoretical models with different physics origins, but has not been unambiguously detected in experiment. Here, in this study, for the first time we provide concrete evidence for a relatively isotropic, small Fermi surface pocket of UTe 2 via quantum oscillation measurements. In addition, we observed high frequency quantum oscillations corresponding to electron-hole tunneling between adjacent electron and hole pockets. The coexistence of 2D and 3D Fermi surface pockets, as well as the breakdown orbits, provides a test bed for theoretical models and aid the realization of a unified understanding of superconducting state of UTe 2 from the first-principles approach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1974

Laser-induced electric breakdown in solids

A review is given of recent experimental results on laser-induced electric breakdown in transparent optical solid materials. A fundamental breakdown threshold exists characteristic for each material. The threshold is determined by the same physical process as dc breakdown, namely, avalanche ionization. The dependence of the threshold on laser pulse duration and frequency is consistent with this process. The implication of this breakdown mechanism for laser bulk and surface damage to optical components is discussed. It also determines physical properties of self-focused filaments.

Bloembergen, N.↗

NASA NTRS1977

Catalytic oxidation of waste materials

Aqueous stream of human waste is mixed with soluble ruthenium salts and is introduced into reactor at temperature where ruthenium black catalyst forms on internal surfaces of reactor. This provides catalytically active surface to convert oxidizable wastes into breakdown products such as water and carbon dioxide.

Jagow, R. B.↗

NASA NTRS1985

A vortex-lattice method for general, unsteady aerodynamics

A general method of calculating unsteady, incompressible, inviscid, three-dimensional flows around arbitrary planforms has been developed. The method is an extension of the vortex-lattice technique. It is not limited by aspect ratio, camber, or angle of attack, as long as vortex breakdown does not occur above the surface of the wing and separation occurs only along sharp edges. As the wing performs arbitrary maneuvers, the position of the wake and the distribution of circulation on the wing and in the wake are obtained as functions of time. One desirable feature of the present method is its ability to treat steady lifting flows very efficiently. Several examples of steady and unsteady flows are presented. These include rectangular wings, with and without flaps, delta, and cropped delta wings.

Konstadinopoulos, P.↗

NASA NTRS1999

Subsonic Aerodynamic Assessment of Vortex Flow Management Devices on a High-Speed Civil Transport Configuration

An experimental investigation of the effects of leading-edge vortex management devices on the subsonic performance of a high-speed civil transport (HSCT) configuration was conducted in the Langley 14- by 22-Foot Subsonic Tunnel. Data were obtained over a Mach number range of 0.14 to 0.27, with corresponding chord Reynolds numbers of 3.08 x 10 (sup 6) to 5.47 x 10 (sup 6). The test model was designed for a cruise Mach number of 2.7. During the subsonic high-lift phase of flight, vortical flow dominates the upper surface flow structure, and during vortex breakdown, this flow causes adverse pitch-up and a reduction of usable lift. The experimental results showed that the beneficial effects of small leading-edge vortex management devices located near the model reference center were insufficient to substantially affect the resulting aerodynamic forces and moments. However, devices located at or near the wiring apex region demonstrated potential for pitch control with little effect on overall lift.

Campbell, Bryan A.↗

NASA NTRSDate not supplied

Heating and Sampling Efficiency Evaluation for the Nephele Venus Cloud Sampling Mission Concept

Nephele [1] is a descent probe concept with a unique combination of entry (3D-CC+HEEET), sampling (flow-through passive impactors), and optics (laser-induced breakdown spectroscopy, or LIBS, and surface-enhanced Raman spectroscopy, or SERS), technologies with two key innovations (Figure 1). The first is the integration of the aerosol sampling inlet into the aeroshell body, allowing the possibility of sampling during passive descent without separation. The second is the use of the aerosol capture surface as an optical analysis substrate, allowing fast-cadence aerosol analysis via a dual optical spectrometer instead of mass spectrometry. Although this concept shares some features with other efforts such as Cupid’s Arrow [1] (single-body sample capture system), DAVINCI [2] and Venera-D [3] (use of an optical spectrometer), Nephele is unique in its physical integration of the sonde body, aerosol and gas sampler, and analysis instrumentation. This innovation is designed to eliminate the need for a controlled descent to achieve a detailed atmospheric aerosol transect, which offers in situ planetary science in a small spacecraft envelope. Aeroshell designs with inlets for free-falling sondes are well-understood, though not yet assessed for aerosol capture efficiency. A HEEET aeroshell with a specialized nose inlet material comprised of Carbon-Carbon is proposed for this mission concept.

Venus↗

NASA NTRSDate not supplied

Heating and Sampling Efficiency Evaluation for the Nephele Venus Cloud Sampling Mission Concept

Nephele is a descent probe concept with a unique combination of entry (3D-CC+HEEET), sampling (flow-through passive impactors), and optics (laser-induced breakdown spectroscopy, or LIBS, and surface-enhanced Raman spectroscopy, or SERS), technologies with two key innovations. The first is the integration of the aerosol sampling inlet into the aeroshell body, allowing the possibility of sampling during passive descent without separation. The second is the use of the aerosol capture surface as an optical analysis substrate, allowing fast-cadence aerosol analysis via a dual optical spectrometer instead of mass spectrometry. Although this concept shares some features with other efforts such as Cupid’s Arrow (single-body sample capture system), DAVINCI and Venera-D (use of an optical spectrometer), Nephele is unique in its physical integration of the sonde body, aerosol and gas sampler, and analysis instrumentation. This innovation is designed to eliminate the need for a controlled descent to achieve a detailed atmospheric aerosol transect, which offers in situ planetary science in a small spacecraft envelope. Aeroshell designs with inlets for free-falling sondes are well-understood, though not yet assessed for aerosol capture efficiency. A HEEET aeroshell with a specialized nose inlet material comprised of Carbon-Carbon is proposed for this mission concept.

Venus↗

DOE OSTI2015

Nitrogen doping study in ingot niobium cavities

Thermal diffusion of nitrogen in niobium superconducting radio frequency cavities at temperature ~800 °C has resulted in the increase in quality factor with a low-field Q-rise extending to B p > 90 mT. However, the maximum accelerating gradient of these doped cavities often deteriorates below the values achieved by standard treatments prior to doping. Here, we present the results of the measurements on ingot niobium cavities doped with nitrogen at 800 °C. The rf measurements were carried out after the successive electropolishing to remove small amount of material from the inner surface layer. The result showed higher breakdown field with lower quality factor as material removal increases.

43 PARTICLE ACCELERATORS↗

DOE OSTI2018

Development of a LIBS system for in situ surface measurements during plasma exposure in PISCES-A

A laser-induced breakdown spectroscopy (LIBS) system has been developed with a Q-switched Nd:YAG laser (wavelength = 1064 nm and pulse width ~5 ns) to conduct in situ surface measurements during plasma exposure in the PISCES-A linear divertor plasma simulator. The LIBS signal enhancement is obtained with both the magnetic field normal to the surface of a target and steady-state background plasma. Migration of sputtered Ta impurities onto the neighboring Cr surface is identified during He plasma exposure, only when cone structures are formed on the Cr surface. D retention in W during D plasma exposure is observed to decrease with increasing the sample temperature. The temporal evolution of D outgassing from W is measured in a time range of ~10-420 s right after D plasma exposure. A power law fit, t - α , yields α ~ 0.34 ± 0.09, which is nearly consistent with calculated and measured values.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Spatial Heterogeneities and Onset of Passivation Breakdown at Lithium Anode Interfaces

Effective passivation of lithium metal surfaces, and prevention of battery-shorting lithium dendrite growth, are critical for implementing lithium metal anodes for batteries with increased power densities. Nanoscale surface heterogeneities can be “hot spots” where anode passivation breaks down. Motivated by the observation of lithium dendrites in pores and grain boundaries in all-solid batteries, we examine lithium metal surfaces covered with Li 2 O and/or LiF thin films with grain boundaries in them. Electronic structure calculations show that at >0.25 V computed equilibrium overpotential Li 2 O grain boundaries with sufficiently large pores can accommodate Li0 atoms which aid e– leakage and passivation breakdown. Strain often accompanies Li insertion; applying an ~1.7% strain already lowers the computed overpotential to 0.1 V. Lithium metal nanostructures as thin as 12 Å are thermodynamically favored inside cracks in Li 2 O films, becoming “incipient lithium filaments”. LiF films are more resistant to lithium metal growth. Finally, the models used herein should in turn inform passivating strategies in all-solid-state batteries.

25 ENERGY STORAGE↗

DOE OSTI2020

AMPPED LDRD: Advanced Models of the Physics & Phenomena of Electrical Discharge.

This Laboratory Directed Research and Development (LDRD) project aimed at addressing an unmet need for physics-based models that enable prediction of electrical breakdown in the presence of high voltage gradients and real-world environments. This project focused on understanding coupled plasma-surface feedback phenomena critical to electrical discharge processes and design of breakdown voltages, breakdown times, and breakdown paths. New secondary electron emission and coupled plasma-surface measurement methods and models were developed. Highly reproducible discharge experiments were developed to provide current-voltage data as a function of time, and methods were developed to condition electrodes for predictable discharge. To assess plasma-surface feedback mechanisms, new surface physics capabilities, including measurement systems for local and global photoemission yield and ion-induced secondary electron emission yield were developed. Discharge models were developed to incorporate these yields for predicting discharge behavior to understand influence of surface physics on discharge current and time evolution, and methods to accelerate these simulations were demonstrated. A key finding was that the initiation process of a non-vacuum discharge appears highly dependent on photoemission at the cathode. Advanced diagnostics were developed, including spatial electrical field imaging, spectroscopy of plasmas, and high-speed imaging of discharge event s in metal and dielectric environments. These diagnostics and improved electrical models are a step toward enabling quantitative design margins, assurance of safety architectures, and implementation of novel materials and technologies for wide ranging energy and electronics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Role of secondary emission on discharge dynamics in an atmospheric pressure dielectric barrier discharge

The discharge dynamics in an atmospheric pressure dielectric barrier discharge (DBD) is studied in a DBD reactor consisting of a pair of stainless steel parallel plate electrodes. The DBD discharge has been generated by a 50 Hz ac high voltage power source. The high-speed intensified charge coupled device camera is used to capture the images of filaments occurring in the discharge gap. It is observed that frequent synchronous breakdown of micro discharges occurs across the discharge gap in the case of negative current pulse. The experimental results reveal that secondary emissions from the dielectric surface play a key role in the synchronous breakdown of plasma filaments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1972

Effect of contact angle hysteresis on moving liquid film integrity

A study was made of the formation and breakdown of a water film moving over solid surfaces (teflon, lucite, stainless steel, and copper). The flow rate associated with film formation was found to be higher than the flow rate at which film breakdown occurred. The difference in the flow rates for film formation and film breakdown was attributed to contact angle hysteresis. Analysis and experiment, which are in good agreement, indicated that film formation and film breakdown are functions of the advancing and receding angles, respectively.

Simon, F. F.↗

NASA NTRS1972

Effect of contact angle hysteresis on moving liquid film integrity.

Simon, F. F.↗

DOE OSTI2023

Quantifying Site Effects and Their Influence on Earthquake Source Parameter Estimations Using a Dense Array in Oklahoma

We investigate the effects of site response on source parameter estimates using earthquakes recorded by the LArge-n Seismic Survey in Oklahoma (LASSO). While it is well known that near-surface unconsolidated sediments can cause an apparent breakdown of earthquake self-similarity, the influence of laterally varying site conditions remains unclear. We analyze site conditions across the 1825-station array on a river plain within an area of 40 km by 23 km using vertical ground motions from 14 regional earthquakes. While the source radiation pattern controls P-wave ground motions below 8 Hz, the surface geology correlates with P-wave ground motions above 8 Hz and S-wave ground motions at 2–21 Hz. Stations installed in alluvial sediments have vertical ground motions that can exceed three times the array median. We use the variation of ground motion of regional earthquakes across the array as a proxy for site effects. The corner frequencies and stress drops of local earthquakes ( M L = 0.01–3) estimated using a standard single-spectra approach show negative correlations with the site-effect proxy, while the seismic moments show positive correlations. In contrast, the spectral-ratio approach effectively shows no correlation. The overall bias is small as expected for this relatively homogeneous structure; accurate estimation of site-related biases requires at least 30 stations. Correcting for site-related biases reduces the standard deviations of the source parameters by less than 13% of the total variations. Remaining variations are partially associated with source directivity and model misfits— as small earthquakes can have complex ruptures.

58 GEOSCIENCES↗