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At least 721 records · Page 40

DIRECT NUMERICAL SIMULATIONS OF REFLECTION-DRIVEN, REDUCED MAGNETOHYDRODYNAMIC TURBULENCE FROM THE SUN TO THE ALFVÉN CRITICAL POINT

We present direct numerical simulations of inhomogeneous reduced magnetohydrodynamic (RMHD) turbulence between the Sun and the Alfvén critical point. These are the first such simulations that take into account the solar-wind outflow velocity and the radial inhomogeneity of the background solar wind without approximating the nonlinear terms in the governing equations. RMHD turbulence is driven by outward-propagating Alfvén waves (z {sup +} fluctuations) launched from the Sun, which undergo partial non-WKB reflection to produce sunward-propagating Alfvén waves (z {sup –} fluctuations). We present 10 simulations with different values of the correlation time τ{sub c{sub sun}{sup +}} and perpendicular correlation length L{sub ☉} of outward-propagating Alfvén waves at the coronal base. We find that between 15% and 33% of the z {sup +} energy launched into the corona dissipates between the coronal base and Alfvén critical point. Between 33% and 40% of this input energy goes into work on the solar-wind outflow, and between 22% and 36% escapes as z {sup +} fluctuations through the simulation boundary at r = r{sub A}. The z {sup ±} power spectra scale like k{sub perpendicular}{sup -α{sup ±}}, where k is the wavenumber in the plane perpendicular to B{sub 0}. In our simulation with the smallest value of τ{sub c{sub sun}{sup +}} (∼2 minutes) and largest value of L{sub ☉} (2 × 10{sup 4} km), we find that α{sup +} decreases approximately linearly with increasing ln (r), reaching a value of 1.3 at r = 11.1 R{sub ☉}. Our simulations with larger values of τ{sub c{sub sun}{sup +}} exhibit alignment between the contours of constant φ{sup +}, φ{sup –}, Ω{sub 0}{sup +}, and Ω{sub 0}{sup -}, where φ{sup ±} are the Elsässer potentials and Ω{sub 0}{sup ±} are the outer-scale parallel Elsässer vorticities.

79 ASTRONOMY AND ASTROPHYSICS↗

ON THE CONSERVATION OF CROSS HELICITY AND WAVE ACTION IN SOLAR-WIND MODELS WITH NON-WKB ALFVÉN WAVE REFLECTION

The interaction between Alfvén-wave turbulence and the background solar wind affects the cross helicity (∫d{sup 3}x v⋅B) in two ways. Non-WKB reflection converts outward-propagating Alfvén waves into inward-propagating Alfvén waves and vice versa, and the turbulence transfers momentum to the background flow. When both effects are accounted for, the total cross helicity is conserved. In the special case that the background density and flow speed are independent of time, the equations of cross-helicity conservation and total-energy conservation can be combined to recover a well-known equation derived by Heinemann and Olbert that has been interpreted as a non-WKB generalization of wave-action conservation. This latter equation (in contrast to cross-helicity and energy conservation) does not hold when the background varies in time.

79 ASTRONOMY AND ASTROPHYSICS↗

Mechanistic aspects of plasma-enhanced catalytic methane decomposition by time-resolved operando diffuse reflectance infrared Fourier transform spectroscopy

To study mechanistic aspects of plasma-enhanced catalysis, methane is decomposed by a supported Ni catalyst assisted by an Ar/O 2 atmospheric pressure plasma jet (APPJ). Here, the time-resolved surface response of the Ni catalyst is investigated by operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) using various experimental settings. Catalyst temperatures of room temperature (RT) and 500 °C and nozzle-catalyst surface distances of 3, 5 and 8 mm were examined, and the amount of O 2 of the Ar/O 2 gas mixture flowing through the APPJ was either 0 or 0.5%. A synergistic effect of surface bonded C-O was observed during the exposure of the Ni catalyst to the APPJ for low oxygen operating conditions (pure Ar jet). Surface bonded C-O formed only when there was plasma present and the C-O signal was enhanced for higher catalyst temperature. When the supported Ni catalyst was subjected to the plasma-generated particle fluxes using highly oxidizing conditions, the presence of surface bonded C-O was suppressed. The plasma-catalytic CO and CO 2 production in the gas phase measured downstream mirrored the surface behavior of C-O bonds when the plasma source operating condition was changed from a low oxygen portion to a high oxygen portion at high catalyst temperature (500 °C). CH n (n =1, 2, ) species on the catalyst surface were also studied by DRIFTS, and CHn destruction was found to correlate with C-O formation. In particular, the time-resolved CH n response showed a possible conversion process of CH n to C-O when the Ni catalyst was exposed to the plasma source. This finding may indicate a plasma-mediated regeneration of the catalyst by plasma-catalyst surface interactions.

42 ENGINEERING↗

A tunneling current measurement scheme to observe Majorana-zero-mode-induced crossed Andreev reflection

We propose a scheme to observe the Majorana-zero-mode-induced crossed Andreev reflection by measuring tunneling current directly. In this scheme a metallic ring structure is utilized to separate electron and hole signals. Since tunneling electrons and holes have different propagating wave vectors, the conditions for them to be constructively coherent in the ring differ. We find that when the magnetic flux threading the ring varies, it is possible to observe adjacent positive and negative tunneling current peaks of about equal amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

On the vacuum Einstein equations along curves with a discrete local rotation and reflection symmetry

We discuss the possibility of a dimensional reduction of the Einstein equations in S{sup 3} black-hole lattices. It was reported in previous literature that the evolution of spaces containing curves of local, discrete rotation and reflection symmetry (LDRRS) can be carried out via a system of ODEs along these curves. However, 3+1 Numerical Relativity computations demonstrate that this is not the case, and we show analytically that this is due to the presence of a tensorial quantity which is not suppressed by the symmetry. We calculate the term analytically, and verify numerically for an 8-black-hole lattice that it fully accounts for the anomalous results, and thus quantify its magnitude in this specific case. The presence of this term prevents the exact evolution of these spaces via previously-reported methods which do not involve a full 3+1 integration of Einstein's equation.

79 ASTRONOMY AND ASTROPHYSICS↗

PARTIAL REFLECTION AND TRAPPING OF A FAST-MODE WAVE IN SOLAR CORONAL ARCADE LOOPS

We report on the first direct observation of a fast-mode wave propagating along and perpendicular to cool (171 Å) arcade loops observed by the Solar Dynamics Observatory/Atmospheric Imaging Assembly (AIA). The wave was associated with an impulsive/compact flare near the edge of a sunspot. The EUV wavefront expanded radially outward from the flare center and decelerated in the corona from 1060 to 760 km s{sup −1} within ∼3–4 minutes. Part of the EUV wave propagated along a large-scale arcade of cool loops and was partially reflected back to the flare site. The phase speed of the wave was about 1450 km s{sup −1}, which is interpreted as a fast-mode wave. A second overlying loop arcade, orientated perpendicular to the cool arcade, is heated and becomes visible in the AIA hot channels. These hot loops sway in time with the EUV wave, as it propagated to and fro along the lower loop arcade. We suggest that an impulsive energy release at one of the footpoints of the arcade loops causes the onset of an EUV shock wave that propagates along and perpendicular to the magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗

Learning continuous scattering length density profiles from neutron reflectivities using convolutional neural networks

Interpreting neutron reflectivity (NR) data using ad hoc multi-layer models and physics-based models provides information about spatially resolved neutron scattering length density (NSLD) profiles. Recent improvements in data acquisition systems have allowed acquiring thousands of NR curves in a couple of hours, which has led to a need for automated data analysis tools to interpret NR measurements in real-time. Here, we present a machine learning analysis workflow that uses a series of models, based on a convolutional neural network (CNN), to learn the relation between the NSLDs and the NRs, and subsequently produce continuous NSLD profiles directly from NRs. The usefulness of our CNN-based models is demonstrated by constructing NSLDs from NRs of several films containing homopolymer polyzwitterions and diblock copolymers mixed with different types of salts. Comparisons of the NSLDs with those constructed using ad hoc multi-layer models reveal a very good agreement, suggesting the potential of CNN-based models for real-time automated data analysis of NRs.

36 MATERIALS SCIENCE↗

Enhanced and switchable spin Hall effect of light near the Brewster angle on reflection

We theorize an enhanced and switchable spin Hall effect (SHE) of light near the Brewster angle on reflection and demonstrate it experimentally. The obtained spin-dependent splitting reaches 3200 nm near the Brewster angle, which is 50 times larger than the previously reported values in refraction. We find that the amplifying factor in weak measurement is not a constant, which is significantly different from that in refraction. As an analogy of SHE in an electronic system, a switchable spin accumulation in SHE of light is detected. We were able to switch the direction of the spin accumulations by slightly adjusting the incident angle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reflective ghost imaging through turbulence

Recent work has indicated that ghost imaging may have applications in standoff sensing. However, most theoretical work has addressed transmission-based ghost imaging. To be a viable remote-sensing system, the ghost imager needs to image rough-surfaced targets in reflection through long, turbulent optical paths. We develop, within a Gaussian-state framework, expressions for the spatial resolution, image contrast, and signal-to-noise ratio of such a system. We consider rough-surfaced targets that create fully developed speckle in their returns and Kolmogorov-spectrum turbulence that is uniformly distributed along all propagation paths. We address both classical and nonclassical optical sources, as well as a computational ghost imager.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Low-energy electronic structure of perovskite and Ruddlesden-Popper semiconductors in the Ba-Zr-S system probed by bond-selective polarized x-ray absorption spectroscopy, infrared reflectivity, and Raman scattering

Chalcogenides in perovskite and the related layered Ruddlesden-Popper crystal structures ( chalcogenide perovskites for brevity) are an exciting family of semiconductors but remain experimentally little studied. Chalcogenide perovskites share crystal structures and some physical properties with ionic compounds such as oxide and halide perovskites, but the metal-chalcogen bonds responsible for semiconducting behavior are substantially more covalent than in these more-studied perovskites. In this study, we use complementary experimental and theoretical methods to study how the mixed ionic-covalent Zr-S bonds support the electronic structure and physical properties of perovskite BaZrS 3 and Ruddlesden-Popper Ba 3 Zr 2 S 7 . We apply theoretical methods to assign features of experimentally measured x-ray absorption spectroscopy (XAS) to particular orbital transitions, enabling a clear physical interpretation of angle-dependent, polarized XAS data measured on single-crystal samples, and an atomistic view of the covalent bonding network that facilitates charge transport. Polarized Raman measurements identify signatures of crystalline anisotropy in Ba 3 Zr 2 S 7 and enable the first assignments of mode symmetry in this material. Infrared reflectivity reveals electronic transport properties that augur well for the use of chalcogenide perovskites in optoelectronic and energy-conversion technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Andreev reflection at the altermagnet-superconductor interface

Altermagnets are a new class of magnetic materials, which exhibit large spin splitting, but due to the combined spin and real space group symmetry protection maintain zero net macroscopic magnetization. Such a characteristic may prove them to be superior in applications in superconducting heterostructures and thus here we investigate the Andreev reflection at the altermagnet/superconductor interface. We compare and contrast altermagnets to other magnetic materials, revealing qualitative differences in the behavior of altermagnetic junction depending on the Fermi surface orientation. We study the resonant states arising in setups with strong tunneling barriers and show that sensitivity to nonmagnetic disorder is also dependent on the orientation. In conclusion, our results provide a building block for altermagnetic superconducting heterostructures such as Josephson π junctions with superior properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tracking defect type and strain relaxation in patterned Ge/Si(001) islands by x-ray forbidden reflection analysis

Plastic relaxation and formation of defects are crucial issues in the epitaxial growth of nanoparticles and thin films. Indeed, defects generate local stress in the crystalline lattice, which affects their surroundings and may lead to undesired effects such as reduced charge-carrier lifetime or nonradiative recombinations. Here, we use a nondestructive method based on x-ray diffuse scattering close to forbidden reflections to identify the defect types with a high sensitivity and quantify their average size and strain field. Combined with transmission electron microscopy, it offers opportunities to track both ensemble average and single defects inside three-dimensional structures. These techniques have been applied to partially embedded and high-Ge-content (x{sub Ge}=0.87{+-}0.06) dots selectively grown in 20-nm-sized pits on Si(001) surfaces through openings in a SiO{sub 2} template. The stress in the 20-nm-wide Ge islands is relaxed not only by interfacial dislocations but also by microtwins and/or stacking faults located at the interface, proving the importance of {l_brace}111{r_brace} planes and twinning in the relaxation process of nanometer-size Ge dots.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data

Metal oxide/water interfaces play a crucial role in many electrochemical and photocatalytic processes, such as photoelectrochemical water splitting, the creation of fuel from sunlight, and electrochemical CO 2 reduction. First-principles electronic structure calculations can reveal unique insights into these processes, such as the role of the alignment of the oxide electronic energy levels with those of liquid water. An essential prerequisite for the success of such calculations is the ability to predict accurate structural models of these interfaces, which in turn requires careful experimental validation. Here we report a general, quantitative validation protocol for first-principles molecular dynamics simulations of oxide/aqueous interfaces. The approach makes direct comparisons of interfacial x-ray reflectivity (XR) signals from experimental measurements and those obtained from ab initio simulations with semilocal and van der Waals functionals. The protocol is demonstrated here for the case of the Al 2 O 3 (001)/water interface, one of the simplest oxide/water interfaces. We discuss the technical requirements needed for validation, including the choice of the density functional, the simulation cell size, and the optimal choice of the thermodynamic ensemble. Our results establish a general paradigm for the validation of structural models and interactions at solid/water interfaces derived from first-principles simulations. Furthermore, while there is qualitative agreement between the simulated structures and the experimental best-fit structure, direct comparisons of simulated and measured XR intensities show quantitative discrepancies that derive from both bulk regions (i.e., alumina and water) as well as the interfacial region, highlighting the need for accurate density functionals to properly describe interfacial interactions. Our results show that XR data are sensitive not only to the atomic structure (i.e., the atom locations) but also to the electron-density distributions in both the substrate and at the interface.

36 MATERIALS SCIENCE↗

Generalized skew-symmetric interfacial probability distribution in reflectivity and small-angle scattering analysis

Generalized skew-symmetric probability density functions are proposed to model asymmetric interfacial density distributions for the parameterization of any arbitrary density profiles in the `effective-density model'. The penetration of the densities into adjacent layers can be selectively controlled and parameterized. A continuous density profile is generated and discretized into many independent slices of very thin thickness with constant density values and sharp interfaces. The discretized profile can be used to calculate reflectivities via Parratt's recursive formula, or small-angle scattering via the concentric onion model that is also developed in this work.

36 MATERIALS SCIENCE↗

Determination of copper nanoparticle size distributions with total reflection X-ray fluorescence spectroscopy

Total reflection X-ray fluorescence (TXRF) analysis is extensively used by the semiconductor industry for measuring trace metal contamination on silicon surfaces. In addition to determining the quantity of impurities on a surface, TXRF can reveal information about the vertical distribution of contaminants by measuring the fluorescence signal as a function of the angle of incidence. In this study, two samples were intentionally contaminated with copper in non-deoxygenated and deoxygenated ultrapure water (UPW) resulting in impurity profiles that were either atomically dispersed in a thin film or particle-like, respectively. The concentration profile of the samples immersed into deoxygenated UPW was calculated using a theoretical concentration profile representative of particles, yielding a mean particle height of 16.1 nm. However, the resulting theoretical profile suggested that a distribution of particle heights exists on the surface. The fit of the angular distribution data was further refined by minimizing the residual error of a least-squares fit employing a model with a Gaussian distribution of particle heights about the mean height. The presence of a height distribution was also confirmed with atomic force microscopy measurements.

36 MATERIALS SCIENCE↗

Reflection high-energy electron diffraction evaluation of thermal deoxidation of chemically cleaned Si, SiGe, and Ge layers for solid-source molecular beam epitaxy

The authors present a study on the thermal evolution of the reflection high-energy electron diffraction pattern of chemically cleaned (001)-oriented Si, Ge, and SiGe surfaces, associating observed changes in the reconstructions with the desorption of known residual contaminants for Si and Ge surfaces. The implications of residual oxides prior to epitaxy on stacking fault densities in the grown films are presented. Further evidence for the two-phase nature of oxides on SiGe surfaces is provided, demonstrating that it is necessary to heat a SiGe surface up to the thermal deoxidation temperature of a Si surface to obtain stacking fault-free growth.

36 MATERIALS SCIENCE↗

Portable total reflection x-ray fluorescence analysis in the identification of unknown laboratory hazards

In this study, a portable total reflection x-ray fluorescence (TXRF) spectrometer was used to analyze unknown laboratory hazards that precipitated on exterior surfaces of cooling pipes and fume hood pipes in chemical laboratories. With the aim to examine the accuracy of TXRF analysis for the determination of elemental composition, analytical results were compared with those of wavelength-dispersive x-ray fluorescence spectrometry, scanning electron microscope and energy-dispersive x-ray spectrometry, energy-dispersive x-ray fluorescence spectrometry, inductively coupled plasma atomic emission spectrometry, x-ray diffraction spectrometry (XRD), and x-ray photoelectron spectroscopy (XPS). Detailed comparison of data confirmed that the TXRF method itself was not sufficient to determine all the elements (Z > 11) contained in the samples. In addition, results suggest that XRD should be combined with XPS in order to accurately determine compound composition. This study demonstrates that at least two analytical methods should be used in order to analyze the composition of unknown real samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

How reduced vacuum pumping capability in a coating chamber affects the laser damage resistance of HfO 2 /SiO 2 antireflection and high-reflection coatings

Here, optical coatings with the highest laser damage thresholds rely on clean conditions in the vacuum chamber during the coating deposition process. A low-base pressure in the coating chamber, as well as the ability of the vacuum system to maintain the required pressure during deposition, are important aspects of limiting the amount of defects in an optical coating that could induce laser damage. Our large optics coating chamber at Sandia National Laboratories normally relies on three cryo pumps to maintain low pressures for e-beam coating processes. However, on occasion, one or more of the cryo pumps have been out of commission. In light of this circumstance, we explored how deposition under compromised vacuum conditions resulting from the use of only one or two cryo pumps affects the laser-induced damage thresholds of optical coatings. The coatings of this study consist of HfO 2 and SiO 2 layer materials and include antireflection coatings for 527 nm at normal incidence and high-reflection coatings for 527 nm at 45-deg angle of incidence in P-polarization.

36 MATERIALS SCIENCE↗