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At least 955 records · Page 53

Gold-tantalum alloy films deposited by high-density-plasma magnetron sputtering

Gold-tantalum alloy films are of interest for biomedical and magnetically-assisted inertial confinement fusion applications. Here, we systematically study the effects of substrate tilt (0°–80°) and negative substrate bias (0–100 V) on properties of ≲3-μm-thick films deposited by high-power impulse magnetron sputtering (HiPIMS) from a Au–Ta alloy target (with 80 at. % of Ta). Results reveal that, for all the substrate bias values studied, an increase in substrate tilt leads to a monotonic decrease in film thickness, density, residual compressive stress, and electrical conductivity. Larger substrate bias favors the formation of a body-centered cubic phase, with films exhibiting lower column tilt and higher density, electrical conductivity, and residual compressive stress. Furthermore, these changes are attributed to metal atom ionization effects, based on the lack of correlation with distributions of landing energies and incident angles of depositing species as calculated by Monte Carlo simulations of ballistic collisions and gas phase atomic transport. By varying substrate tilt and bias in HiPIMS deposition, properties of Au–Ta alloy films can be controlled in a very wide range, including residual stress from –2 to +0.5 GPa, density from 12 to 17 g/cm 3 , and the electrical resistivity from 50 to 4500 μΩ cm, enabling optimum deposition conditions to be selected for specific applications.

36 MATERIALS SCIENCE↗

Thermal-mechanical properties of epoxy-impregnated Bi-2212/Ag composite

In this study, knowledge of the thermal-mechanical properties of epoxy/superconductor/insulation composite is important for designing, fabricating, and operating epoxy impregnated high field superconducting magnets near their ultimate potentials. We report measurements of the modulus of elasticity, Poisson's ratio, and the coefficient of thermal contraction of epoxy-impregnated composite made from the state-of-the-art powder-in-tube multifilamentary Ag/Bi 2 Sr 2 CaCu 2 O x round wire at room temperature and cryogenic temperatures. Stress-strain curves of samples made from single-strand and Rutherford cables were tested under both monotonic and cyclic compressive loads, with single strands insulated using a thin TiO 2 insulation coating and the Rutherford cable insulated with a braided ceramic sleeve.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory

Zero-field splitting (ZFS) is a fundamental molecular property that is especially relevant for single-molecule magnets (SMMs), electron paramagnetic resonance spectra, and quantum computing. Developing a method that can accurately predict ZFS parameters can be very powerful for designing new SMMs. One of the challenges is to include external correlation in an inherently multiconfigurational open-shell species for the accurate prediction of magnetic properties. Previously available methods depend on expensive multireference perturbation theory calculations to include external correlation. In this paper, we present spin-orbit-inclusive multiconfiguration and multistate pair-density functional theory (MC-PDFT) calculations of ZFSs; these calculations have a cost comparable to complete-active-space self-consistent field (CASSCF) theory, but they include correlation external to the active space. We found that combining a multistate formulation of MC-PDFT, namely, compressed-state multistate pair-density functional theory, with orbitals optimized by weighted-state-averaged CASSCF, yields reasonably accurate ZFS results

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Linear and nonlinear dust acoustic waves in an inhomogeneous magnetized dusty plasma with nonextensive electrons

The propagation of both linear and nonlinear dust acoustic waves (DAWs) in an inhomogeneous magnetized collisional and warm dusty plasma (DP) consisting of Boltzmann ions, nonextensive electrons, and inertial dust particles is investigated. The number density gradients of all DP components besides the inhomogeneities of electrostatic potential and the initial dust fluid velocity are taken into account. The linear dispersion relation and a nonlinear modified Zakharov-Kusnetsov (MZK) equation governing the propagation of the three-dimensional DAWs are derived. The analytical solution of the MZK reveals the creation of both compressive and rarefactive DAW solitons in the proposed model. It is found that the inhomogeneity dimension parameter and the electron nonextensive parameter affect significantly the nonlinear DAW's amplitude, width, and Mach number. The relations of our findings with some astrophysical situations have been given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hard x-ray imaging and characterization of staged z-pinch plasmas in order to exclude ion beams as cause of fusion

Prior to the start of the INFUSE project, a 1-D x-ray device had been developed to detect > 5 keV x-rays and, by using the device as a pinhole camera, determine the location of the source of these x-rays. The system was also used in a non-camera mode to measure the energy of the X-rays by having different thicknesses of attenuating material on different pixels. This dual-purpose had been used in three plasma experiments: the laboratory magnetized plasma jet at Caltech, the laboratory solar nanoflare at Caltech, and at the 500 kA staged Z-pinch (CESZAR) at UCSD. Preliminary measurements at the UCSD facility indicated that hard x-rays with energies ranging from ~27 to over 100 keV were created and that these x-rays likely originated at the Z-pinch’s anode. These preliminary data also indicated that the x-rays’ origin was coincident with the moment of peak compression. The major goal of the INFUSE proposal was to confirm these preliminary results. This confirmation was to be made by improving the imaging capability to two dimensions, increasing the time resolution of the camera, and using the x-ray diagnostic alongside time-resolved neutron detectors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experiment-theory comparison for low frequency BAE modes in the strongly shaped H-1NF stellarator

Here, recent advances in the modeling, analysis, and measurement of fluctuations have significantly improved the diagnosis and understanding of Alfvén eigenmodes in the strongly shaped H-1NF helical axis stellarator. Experimental measurements, including 3D tomographic inversions of high resolution visible light images, are in close agreement with beta-induced Alfvén eigenmodes (BAEs) calculated using the compressible ideal MHD code, CAS3D. This is despite the low β in H-1NF, providing experimental evidence that these modes can exist due to compression that is induced by the strong shaping in stellarators, in addition to high β, as is the case in tokamaks. This is confirmed using the CONTI and CAS3D codes, which show significant gap structures at lower frequencies which contain BAE and beta-acoustic Alfvén eigenmodes (BAAEs). The BAEs are excited in the absence of a well confined energetic particle source, further confirming previous studies that thermal particles, electrons, or even radiation fluctuations can drive these modes. Datamining of magnetic probe data shows the experimentally measured frequency of these modes has a clear dependence on the rotational transform profile, which is consistent with a frequency dependency due to postulated confinement related temperature variations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Finite temperature properties of uranium mononitride

Uranium mononitride (UN) is a promising nuclear fuel that combines the advantageous properties of readily used UO 2 and uranium alloys, such as high melting temperature and high uranium density, and thermal conductivity, respectively. A better understanding of UN behavior at operating temperatures can be obtained from finite temperature data, such as elastic properties. To get this information, ab initio molecular dynamics (AIMD) simulations were performed at five different temperatures using constant volume (NVT) and constant pressure (NPT) ensembles. Initially, the performance of PBE functional in reproducing experimental crystallographic properties and magnetic ordering is assessed. The finite temperature phonon dispersions are calculated using NVT simulation results, which show a softening of the phonon modes with increasing temperature. The NPT results are used to obtain the thermal expansion of UN and finite temperature electronic properties. The calculated thermal expansion is compared with our measurements using neutron diffraction. Additionally, the temperature dependent elastic properties of UN are evaluated using the strain-stress method in AIMD simulations, indicating that UN becomes softer and more compressible with increasing temperature. Also, the calculated Young’s modulus slope is in very good agreement with the experiment. The finite temperature heat capacity and electronic thermal conductivity are calculated from AIMD simulations, which are in better agreement with the experiment than the heat capacity and thermal conductivity calculated using the structures relaxed at 0K. Finally, the thermal diffusivity from AIMD has opposite temperature dependence compared to experimental results, which we argued comes from the underestimated electronic thermal conductivity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Mott vs Kondo: Influence of various density functional based methods on the Ce isostructural phase transition mechanism

The cerium iso-structural phase transition (γ–α) is dominated by f-electron localization changes that results in a magnetic ordering change and a volume collapse. Generally, these physics are difficult to capture with ab initio and first principles methods. However, previous works have shown various methods to be successful in predicting at least some of the physics of the γ to α phase transition. Therefore, here, we perform a broad survey of density functional based methods across three levels of theory and types of functions [GGA (generalized gradient approximation), MetaGGA, and hybrid functionals] and compare the results, focusing on hydrostatic compression across the phase boundary at zero kelvin. For the methods that best reproduce experimental results, we directly probe the predicted mechanisms and frame the results in the Mott/Kondo debate, assessing how the underlying methods and assumptions of different functionals can assess the physical drivers in the phase transition, providing insight into the governing processes of this unique phase transition.

36 MATERIALS SCIENCE↗

Kohn Anomaly and Phase Stability in Group VB Transition Metals

In the periodic table, only a few pure metals exhibit lattice or magnetic instabilities associated with Fermi surface nesting, the classical examples being α-U and Cr. Whereas α-U displays a strong Kohn anomaly in the phonon spectrum that ultimately leads to the formation of charge density waves (CDWs), Cr is known for its nesting-induced spin density waves (SDWs). Recently, it has become clear that a pronounced Kohn anomaly and the corresponding softening in the elastic constants is also the key factor that controls structural transformations and mechanical properties in compressed group VB metals—materials with relatively high superconducting critical temperatures. This article reviews the current understanding of the structural and mechanical behavior of these metals under pressure with an introduction to the concept of the Kohn anomaly and how it is related to the important concept of Peierls instability. We review both experimental and theoretical results showing different manifestations of the Kohn anomaly in the transverse acoustic phonon mode TA (ξ00) in V, Nb, and Ta. Specifically, in V the anomaly triggers a structural transition to a rhombohedral phase, whereas in Nb and Ta it leads to an anomalous reduction in yield strength.

36 MATERIALS SCIENCE↗

Exchange bias induced by the fully strained La{sub 2/3}Ca{sub 1/3}MnO{sub 3} dead layers

A pure compressively strained La{sub 2/3}Ca{sub 1/3}MnO{sub 3} (LCMO) dead layer grown on (001)-oriented LaAlO{sub 3} substrate can show all the rich phenomenon of large bias field shift, coercive field enhancement, and high blocking temperature. The obtained exchange bias field (∼350 Oe) and the enhanced coercivity of about 1160 Oe at 5 K under 500 Oe cooling field are superior to that have been reported in LCMO-based ferromagnetic/antiferromagnetic superlattices or nanoscale systems. Our results clearly demonstrate that the inhomogeneous magnetic dead layer of LCMO can induce a strong exchange bias effect, which may be exploited as a very simple structure for spin-valve device application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of anisotropic dust pressure and superthermal electrons on propagation and stability of dust acoustic solitary waves

Employing the reductive perturbation technique, Zakharov–Kuznetzov (ZK) equation is derived for dust acoustic (DA) solitary waves in a magnetized plasma which consists the effects of dust anisotropic pressure, arbitrary charged dust particles, Boltzmann distributed ions, and Kappa distributed superthermal electrons. The ZK solitary wave solution is obtained. Using the small-k expansion method, the stability analysis for DA solitary waves is also discussed. The effects of the dust pressure anisotropy and the electron superthermality on the basic characteristics of DA waves as well as on the three-dimensional instability criterion are highlighted. It is found that the DA solitary wave is rarefactive (compressive) for negative (positive) dust. In addition, the growth rate of instability increases rapidly as the superthermal spectral index of electrons increases with either positive or negative dust grains. A brief discussion for possible applications is included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Divertor turbulent transport in the single null and snowflake in the TCV tokamak

The relative importance of divertor radial turbulent particle fluxes is considered by comparing it against the fluxes in the main-chamber outer midplane (OMP) in a variety of conditions and divertor geometries in the tokamak à configuration variable. Within the first power falloff length, the radial turbulent fluxes in the leg of the outer divertor are consistently found to be small, and about 1/5th the magnitude measured at the OMP. In a low-density single null divertor, magnetic shear is found to play a strong role in isolating the main-chamber turbulence from the divertor. The snowflake divertor is purported to have turbulence-enhancing properties in the volume between the two X-points but was instead found to further reduce the divertor turbulent fluxes compared to the single null. Depending on the collisionality, the electric field fluctuations and radial turbulent fluxes were higher near the X-point than at the outer midplane, which is likely due to the binormal compression of the flux bundles consistent with analytical models of the resistive X-point mode. Density and potential fluctuation amplitudes decrease monotonically with distance from the OMP with a slope that depends on collisionality.

Physics↗

EFFECTS OF PENETRATIVE CONVECTION ON SOLAR DYNAMO

Spherical solar dynamo simulations are performed. A self-consistent, fully compressible magnetohydrodynamic system with a stably stratified layer below the convective envelope is numerically solved with a newly developed simulation code based on the Yin-Yang grid. The effects of penetrative convection are studied by comparing two models with and without the stable layer. The differential rotation profile in both models is reasonably solar-like with equatorial acceleration. When considering the penetrative convection, a tachocline-like shear layer is developed and maintained beneath the convection zone without assuming any forcing. While the turbulent magnetic field becomes predominant in the region where the convective motion is vigorous, mean-field components are preferentially organized in the region where the convective motion is less vigorous. Particularly in the stable layer, the strong, large-scale field with a dipole symmetry is spontaneously built up. The polarity reversal of the mean-field component takes place globally and synchronously throughout the system regardless of the presence of the stable layer. Our results suggest that the stably stratified layer is a key component for organizing the large-scale strong magnetic field, but is not essential for the polarity reversal.

79 ASTRONOMY AND ASTROPHYSICS↗

Correlated States of Two-dimensional Electron Systems in AlAs Quantum Wells

Two-dimensional (2D) carrier systems confined to modulation-doped semiconductor hetero-structures provide a nearly ideal testing ground for exploring new physical phenomena. At low temperatures and in the presence of a strong magnetic field, these systems exhibit fascinating, often unexpected, many-body states, arising from the strong electron-electron interaction. In our work, we studied various many-body states of different 2D systems. These included 2D electron and hole systems confined to GaAs and also to AlAs quantum wells, including wide quantum wells where the charge distribution is bilayer like. We observed and reported new phenomena in these systems, including new (even-denominator) fractional quantum Hall states, Wigner crystal solid phases, and composite fermion compressible states.

36 MATERIALS SCIENCE↗

Compatibility of LaFe13−x−yMnxSiyH1.6 and Eutectic Liquid GaInSn Alloy

The heat transfer rate of magnetocaloric regenerators is a topic of extensive research and the cyclability of these regenerators is critical to the operation of systems with a high coefficient of performance (e.g., potentially >22, significantly higher than typical vapor compression cooling technologies). To enable a high operating frequency that will result in a high specific cooling power, the heat transfer fluid should have high thermal conductivity and lower specific heat, i.e., higher thermal diffusivity. Eutectic metal alloys possess these qualities, such as gallium–indium–tin (Galinstan), whose thermal diffusivity has been found to be approximately an order of magnitude higher than water. For this study, the effects of eutectic liquid Galinstan exposure on the phase stability of LaFe13−x−yMnxSiyH1.6 magnetocaloric powders in an active magnetic regenerator device were investigated. The powders were characterized before and after exposure to Galinstan using X-ray diffraction, in which the phases were determined using the Rietveld refinement technique and X-ray fluorescence. It was found that after Galinstan exposure, hydrogen containing phases were present in the powder, suggesting that the hydrogen was lost from the magnetocaloric phase. The magnetocaloric phase degradation indicates that the powder was incompatible with the Galinstan metal in an environment with moisture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Digital quantum simulation of NMR experiments

Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large molecules such as proteins and for protocols such as zero-field NMR. We demonstrate the first quantum simulation of an NMR spectrum, computing the zero-field spectrum of the methyl group of acetonitrile using four qubits of a trapped-ion quantum computer. We reduce the sampling cost of the quantum simulation by an order of magnitude using compressed sensing techniques. We show how the intrinsic decoherence of NMR systems may enable the zero-field simulation of classically hard molecules on relatively near-term quantum hardware and discuss how the experimentally demonstrated quantum algorithm can be used to efficiently simulate scientifically and technologically relevant solid-state NMR experiments on more mature devices. Our work opens a practical application for quantum computation.

74 ATOMIC AND MOLECULAR PHYSICS↗