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At least 1,081 records · Page 60

The Influence of the Spatial Orientation of ZnO Nanorods on the Luminescence Spectrum

Zinc oxide (ZnO) nanorods were grown on glass substrates coated with a conducting indium tin oxide film using the hydrothermal method. The nanorods are 2–2.5 μm long and 70–200 nm in diameter. Under UV irradiation the nanorods exhibit photoluminescence with a maximum at 382 nm. It is found that changes in angle between the nanorods growth direction and the emission recording direction give rise to an appearance of a violet emission band centered at ∼400 nm. It is possible dependence of the luminescence spectrum on the ZnO nanorods’ spatial orientation is due to localization of the violet emission centers in the surface layer.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Dual nature of the orientational effect of ultrasound on liquid crystals

The new model of thresholdless distortion of the orientational structure in a homeotropic layer of nematic liquid crystal with free ends in ultrasonic field has been experimentally substantiated for the first time. The model is constructed within the concepts of nonequilibrium thermodynamics and statistical hydrodynamics of liquid crystals for the frequency range in which the elastic and viscous wavelengths are, respectively, longer and shorter than the layer thickness. The main regularities of the phenomenon, which relate the conditional effect threshold to the ultrasonic frequency and layer thickness, have been established based on the experimental data for (20–150)-μm-thick layers in the frequency range of 0.1–9 MHz. These data are compared with the results of numerical calculations, performed taking into account two mechanisms of liquid crystal structure distortion (convective and nonlinear relaxation ones).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Orientational Ordering of a Liquid-Crystal Suspension of Carbon Nanotubes in a Magnetic Field

A statistical theory is proposed to describe a suspension of carbon nanotubes in a nematic liquid crystal. The mean-field approach is used, and dispersion attraction, the excluded volume effects, the diamagnetism of liquid crystal molecules, and the strong diamagnetism of nanotubes are taken into account. The influence of the volume fraction of impurity, temperature, and magnetic field on the orientational ordering of a liquid crystal matrix and carbon nanotubes is studied. The concentration and temperature phase transitions in the suspension are investigated for various magnetic fields. The concentration and field shifts of the point of the phase transition between nematic and isotropic or paranematic phases are studied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Tensoresistance of n-Ge with different crystallographic orientations in the presence of a classically high magnetic field and without it

Variations in the tensoresistance, tensomagnetoresistance, and magnetotensoresistance are experimentally and theoretically studied in wide ranges of magnetic-field strengths, 0 kOe ≤ H ≤ 100 kOe, and mechanical stresses, 0 GPa ≤ X ≤ 0.7 GPa, at 77 K under conditions of nondegenerate statistics of the electron gas in n-Ge crystals with different crystallographic orientations.

36 MATERIALS SCIENCE↗

Structure of bismuth films obtained using an array of identically oriented single-crystal bismuth islands preliminarily grown on a substrate

An array of identically oriented single-crystal bismuth islands formed on mica plates is used as a substrate to improve the structure of bismuth thin films grown by vacuum thermal evaporation. The array of islands is formed by the chemical etching of a single-crystal bismuth film 1 μm thick grown by floating-zone recrystallization under a coating. The structure of the obtained films is studied by X-ray diffraction, atomicforce microscopy, and electron backscatter diffraction scanning electron microscopy.

36 MATERIALS SCIENCE↗

Photoluminescence Studies of Si-Doped Epitaxial GaAs Films Grown on (100)- and (111)A-Oriented GaAs Substrates at Lowered Temperatures

The electrical properties and photoluminescence features of uniformly Si-doped GaAs layers grown on GaAs substrates with the (100) and (111)A crystallographic orientations of the surface are studied. The samples are grown at the same As{sub 4} pressure in the growth temperature range from 350 to 510°C. The samples grown on GaAs(100) substrates possess n-type conductivity in the entire growth temperature range, and the samples grown on GaAs(111)A substrates possess p-type conductivity in the growth temperature range from 430 to 510°C. The photoluminescence spectra of the samples exhibit an edge band and an impurity band. The edge photoluminescence band corresponds to the photoluminescence of degenerate GaAs with n- and p-type conductivity. The impurity photoluminescence band for samples on GaAs(100) substrates in the range 1.30–1.45 eV is attributed to V{sub As} defects and Si{sub As}–V{sub As} defect complexes, whose concentration varies with sample growth temperature. Transformation of the impurity photoluminescence spectra of the samples on GaAs(111)A substrates is interpreted as being a result of changes in the V{sub As} and V{sub Ga} defect concentrations under variations in the growth temperature of the samples.

36 MATERIALS SCIENCE↗

Orientational Order in Liquid Crystal Complexes Based on Lanthanides

In this study, we have for the first time determined the degree of an orientational order S for a series of liquid-crystal complexes based on lanthanides (Eu{sup +3}, Gd{sup +3}, Tb{sup +3}, Dy{sup +3}) with the same ligand composition in the temperature range of existence of the nematic phase by using experimental refractometry results. We have also found an even-odd alternative S as number of protons in the ions complexing agent has consecutively increased. The obtained values of S have been compared with the corresponding degrees of order of the calamite organic liquid crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hydrodynamic Flows in Microsized Liquid Crystal Cells with Orientational Defects

The effect of the orientational defect (OD) on the formation process of a vortical flow v(t, r), emerging in a microsized liquid crystal (LC) cell under the action of a focused laser radiation, was studied within the nonlinear generalization of the classical Ericksen–Leslie theory by numerical methods, considering the thermomechanical contributions to both the stress tensor and viscous torque, that acts on the unit volume of the liquid crystal phase (LC phase). The analysis of the obtained results showed that the vortical flow, rotating clockwise, is generated in a “defect” LC cell close to the OD, with the OD, placed on the lower bounding surface, on which the laser radiation was focused. The rotational velocity of this flow is two orders of magnitude greater than the rotational velocity of the vortex, which is generated in a “pure” LC cell at the same conditions and rotates anticlockwise.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Unoccupied Electronic States of the Ultrathin Diphenylphthalide Films on the Surface of the Highly Oriented Pyrolytic Graphite

The results of diagnostics of the atomic composition of a diphenylphthalide (DPP) film thermally precipitated in vacuum by the of X-ray photoelectric spectroscopy (XPS) method are presented. The results of examination of the unoccupied electronic states of the ultrathin DPP films with the thickness up to 10 nm on the surface of the highly oriented pyrolytic graphite (HOPG) by the total current spectroscopy (TCS) method in the energy range from 5 to 20 eV above E{sub F} are presented. In this range, the main maxima in the total current spectra are identified. The analysis of the TCS results with consideration of the theoretical calculation results has shown that the low-energy maxima observed at the energies from 6 to 7.5 eV are induced predominately by π* electron orbitals of DPP films. The values of the energy E{sub vac} in relation to E{sub F}, i.e., of the electron work function in the DPP films at the film thickness of 5–10 nm, are found experimentally at a level of 4.3 ± 0.1 eV. The negative charge transfer from an organic film to the substrate corresponds to the formation of the HOPG/DPP boundary potential barrier during the thermal deposition of the DPP film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure of the Wall Sheath in a Gas-Discharge Plasma for an Arbitrary Orientation of a Flat Probe Relative to the Electric Field in the Plasma

We investigate the structure of the wall sheath of a gas discharge near a flat surface at a negative potential for high mean electron energy. It is shown that in the conditions where the mean energy of ions in the plasma is much lower than the mean electron energy, the parameters of the wall sheath weakly depend on the mutual orientation of the normal to the surface and the electric field in the plasma for an arbitrary ratio of the Debye radius to the ion mean free path relative to the resonant charge exchange process. It is found that for inert gases (He, Ar) for ratio E/P of the electric field to pressure exceeding 10 V/(cm Torr) in the plasma, the disregard of ionization in the perturbed wall sheath can lead to substantial errors in the calculation of its parameters. It is shown that the ionization leads to an increase in the electric field in the wall sheath and, as a consequence, to an increase in the mean velocity of ions at the boundary between the quasi-neutral presheath and the part of the perturbed wall sheath in which quasi-neutrality is substantially violated. The parameters of the wall sheath where quasi-neutrality is significantly violated depend on the ionization rate much less strongly than the corresponding parameters of the quasi-neutral presheath. We have determined the relation for concentration of charged particles in the unperturbed plasma from the ion saturation current considering the actual ion energy distribution function in the plasma as well as ionization in the presheath and the part of the perturbed wall sheath in which quasi-neutrality is violated significantly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Structure, Dielectric, and Optical Properties of c-Oriented SBN-50 Films Grown on Pt/Al{sub 2}O{sub 3} Substrate

Studies of the structure, dielectric and optical properties of thin films of a relaxor ferroelectric Ba{sub 0.5}Sr{sub 0.5}Nb{sub 2}O{sub 6} grown on Pt(111)/Al{sub 2}O{sub 3} (c-cut) substrate by high-frequency RF-sputtering in oxygen atmosphere, were performed. X-ray diffraction studies showed that Ba{sub 0.5}Sr{sub 0.5}Nb{sub 2}O{sub 6} films are c-oriented. The unit cell parameters in the tetragonal approximation were c = 3.949(1) Å and a = 12.38(1) Å. It was established that the ferroelectric–paraelectric phase-transition temperature rises and optical anisotropy increases in the object in comparison with the bulk material. Reasons for the elucidated regularities are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthesis of Highly Oriented Zinc-Oxide Films on Amorphous Substrates by the Method of Direct-Current Magnetron Sputtering

We describe the technology of obtaining highly oriented zinc-oxide (ZnO) films on amorphous substrates at high growth rates (up to 7 nm/s) by means of direct-current magnetron sputtering. It is suggested to optimize the substrate position with respect to magnetron and consider the floating potential to which the substrate is charged in magnetron discharge plasma as one of the main technological parameters. Electrondiffraction study of the structural characteristics of the obtained ZnO films showed that increase in the substrate temperature was accompanied by transformation of the crystallite shape from platelike to columnar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

HamPerf: A Hamiltonian-Oriented Approach to Quantum Benchmarking

Quantum computing technologies are undergoing rapid development. The different qubit modalities being considered for quantum computing each have their strengths and weaknesses, making it challenging to compare their performance relative to each other and the state-of-the-art in classical high-performance computing. To better understand the utility of a given quantum processor and to assess when and how it will be able to advance the frontiers of computational science, researchers need a robust approach to quantum benchmarking. A variety of approaches have been proposed, many of which characterize the presence of noise in current quantum devices. These efforts include component-level performance metrics, such as randomized benchmarking and gate set tomography; high-level application-dependent metrics; and devicelevel metrics, such as the Quantum Volume. However, it remains unclear how low-level metrics, such as fidelities and decoherence times, and global device metrics, such as Quantum Volume, relate to the computational utility and practical limitations of quantum processors to solve useful problems. In this paper, we describe our Hamiltonian-oriented approach to quantum benchmarking called HamPerf. Where previous application-dependent approaches specify a suite of benchmarking circuits inspired by applications, we place the problem Hamiltonian at the center. Our strategy allows us to probe the computational performance of a quantum processor on standardized and relevant problem sets, agnostic of the algorithms and hardware used to solve them; it also provides fundamental insights into how device characteristics correlate with computational utility.

Butko, Anastasiia↗

Goated: goal-oriented tensor decompositions in python

SAND2026-20464O Goated performs goal-oriented tensor decompositions in Python, enabling efficient compression of multi-dimensional simulation data. It extends common tensor decomposition methods by incorporating domain-specific knowledge, such as conservation laws in physics, through a penalty term in the optimization process. This approach improves data compression and modeling accuracy across various applications, including physics simulations, by using specialized algorithms and structure-aware subroutines to accelerate solver performance. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

The ARM Data-oriented Metrics and Diagnostics Package for Climate Models - A New Tool for Evaluating Climate Models with Field Data

The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program User Facility produces ground-based long-term continuous unique measurements for atmospheric state, precipitation, turbulent fluxes, radiation, aerosol, cloud and the land surface, which are collected at multiple sites. These comprehensive datasets have been widely used to calibrate climate models and are proven to be invaluable for climate model development and improvement. This article introduces an evaluation package to facilitate the use of ground-based ARM measurements in climate model evaluation. The ARM data-oriented metrics and diagnostics package (ARM-DIAGS) includes both ARM observational datasets and a Python-based analysis toolkit for computation and visualization. The observational datasets are compiled from multiple ARM data products and specifically tailored for use in climate model evaluation. In addition, ARM-DIAGS also includes simulation data from models participating the Coupled Model Inter-comparison Project (CMIP), which will allow climate-modeling groups to compare a new, candidate version of their model to existing CMIP models. The analysis toolkit is designed to make the metrics and diagnostics quickly available to the model developers.

54 ENVIRONMENTAL SCIENCES↗

Process-Oriented Diagnostics: Principles, Practice, Community Development, and Common Standards

Process-oriented diagnostics (PODs) aim to provide feedback for model developers through model analysis based on physical hypotheses. However, the step from a diagnostic based on relationships among variables, even when hypothesis driven, to specific guidance for revising model formulation or parameterizations can be substantial. The POD may provide more information than a purely performance-based metric, but a gap between POD principles and providing actionable information for specific model revisions can remain. Furthermore, in coordinating diagnostics development, there is a trade-off between freedom for the developer, aiming to capture innovation, and near-term utility to the modeling center. Best practices that allow for the former, while conforming to specifications that aid the latter, are important for community diagnostics development that leads to tangible model improvements. Promising directions to close the gap between principles and practice include the interaction of PODs with perturbed physics experiments and with more quantitative process models as well as the inclusion of personnel from modeling centers in diagnostics development groups for immediate feedback during climate model revisions. Examples are provided, along with best-practice recommendations, based on practical experience from the NOAA Model Diagnostics Task Force (MDTF). Common standards for metrics and diagnostics that have arisen from a collaboration between the MDTF and the Department of Energy’s Coordinated Model Evaluation Capability are advocated as a means of uniting community diagnostics efforts.

58 GEOSCIENCES↗

Exploratory Precipitation Metrics: Spatiotemporal Characteristics, Process-Oriented, and Phenomena-Based

Abstract Precipitation sustains life and supports human activities, making its prediction one of the most societally relevant challenges in weather and climate modeling. Limitations in modeling precipitation underscore the need for diagnostics and metrics to evaluate precipitation in simulations and predictions. While routine use of basic metrics is important for documenting model skill, more sophisticated diagnostics and metrics aimed at connecting model biases to their sources and revealing precipitation characteristics relevant to how model precipitation is used are critical for improving models and their uses. This paper illustrates examples of exploratory diagnostics and metrics including 1) spatiotemporal characteristics metrics such as diurnal variability, probability of extremes, duration of dry spells, spectral characteristics, and spatiotemporal coherence of precipitation; 2) process-oriented metrics based on the rainfall–moisture coupling and temperature–water vapor environments of precipitation; and 3) phenomena-based metrics focusing on precipitation associated with weather phenomena including low pressure systems, mesoscale convective systems, frontal systems, and atmospheric rivers. Together, these diagnostics and metrics delineate the multifaceted and multiscale nature of precipitation, its relations with the environments, and its generation mechanisms. The metrics are applied to historical simulations from phases 5 and 6 of the Coupled Model Intercomparison Project. Models exhibit diverse skill as measured by the suite of metrics, with very few models consistently ranked as top or bottom performers compared to other models in multiple metrics. Analysis of model skill across metrics and models suggests possible relationships among subsets of metrics, motivating the need for more systematic analysis to understand model biases for informing model development.

54 ENVIRONMENTAL SCIENCES↗

UMap: An application-oriented user level memory mapping library

Exploiting the prominent role of complex memories in exascale node architecture, the UMap page fault handler offers new capabilities to access large memory-mapped data sets directly. UMap provides flexible configuration options to customize page handling to each application, including analysis of massive observational and simulation data sets. The high-performance design features I/O decoupling, dynamic load balancing, and application-level controls. Page faults triggered by application threads and processes accessing data mapped to a UMapp’ed region are handled via the Linux userfaultfd protocol, an asynchronous message-oriented kernel-user communication mechanism that avoids the context switch penalty of traditional signal fault handlers. UMap is fully open source. In this paper, we give an overview of the UMap library architecture, its extensible plugin architecture, and the use/performance of UMap in emerging heterogeneous memory hierarchies such as near-node Non-volatile Memory (NVM) and network attached memories. We highlight new capabilities in two pagefault management plugins, the NetworkStore and SparseStore. We demonstrate the integration between UMap and multiple ECP products including Caliper, Metall, ZFP, Mochi, and Ripples.

97 MATHEMATICS AND COMPUTING↗