Remote Imaging by Nanosecond Terahertz Spectrometer with Standoff Detector

Russian Physics Journal - Creation and application of the remote imaging spectrometer based on high power nanosecond terahertz source with standoff detector is reported. 2D transmission images of...     

Convection in a Horizontal Layer in a Rotating Heat Field

An asymptotic laminar-convection pattern in a plane horizontal liquid layer with a radially nonuniform temperature gradient on its boundaries is investigated. The problem arises in applications connected with modified Czochralski crystal growth technology using the heat field rotation method. An analytical model of the flow is compared with the results of experiments, specially carried out using model fluids and a technological melt. The conditions of adequacy of the model are analyzed and the restrictions on the parameter values and fluid thermophysical properties that ensure the validity of the model are found. The range of variation of the heat field rotation velocity for which the mixing of the melt in the crucible is maximum is determined.     

Qualitative and Numerical Analysis of a Cosmological Model Based on an Asymmetric Scalar Doublet with Minimal Connections. IV. Numerical Modeling and Types of Behavior of the Model

Russian Physics Journal - On the basis of a qualitative and numerical analysis of a cosmological model based on an asymmetric scalar doublet of nonlinear, minimally interacting scalar fields...     

Electronic Structure of Magnetic Topological Insulators Mn(Bi1 – xSbx)2Te4 with Various Concentration of Sb Atoms

JETP Letters - Intrinsic magnetic topological insulator MnBi2Te4 provides a promising platform to implement the quantum anomalous Hall effect at increased temperatures and other unique topological...     

Synthesis and crystal structure of new layered BaNaSc(BO3)2 and BaNaY(BO3)2 orthoborates

Crystals of two new layered BaNaSc(BO₃)₂ (I) and BaNaY(BO₃)₂ (II) orthoborates are grown from the melt-solution by the spontaneous crystallization onto the platinum loop. Single crystal X-ray analysis showed that the compounds are isostructural with the space group R3¯, a=5.23944(12) and 5.3338(2) Å, and c=34.5919(11) and 35.8303(19) Å for I and II, respectively, Z=6. The distinctive feature of the structure is the close-packed composite anion-cation (Ba,Na)(BO₃) layers. The layers are combined into the base building packages of two types: {M³⁺[Ba²⁺(BO₃)³⁻]₂}⁺ and {M³⁺[Na⁺(BO₃)³⁻]₂}⁻, where M is Sc or Y. Neutral-charge two-package (four-layer) blocks are stacked by the rhombohedral principle into twelve layers of the cubic packing.     

Electrical properties of crystalline borates

Anisotropy of electrical and dielectric properties of α- and β-BaB₂O₄, Ba₂Na₃(B₃O₆)₂F, LiB₃O₅, and CsLi(B₃O₅)₂ single crystals is reported and discussed. In these crystals, alkali ions are dominant charge carriers; pre-heating to 300°C eliminates the humidity, preheating to 500 or 600°C, stabilizes the structure and electrical properties of crystals. Then, both ionic conductivity and dielectric response are determined by movement of alkali ions, and temperature dependences of the ionic conductivity and static permittivity are well reproducible.     

Role of anisotropy and spin-orbit interaction in the optical and dielectric properties of BiTeI and BiTeCl compounds

JETP Letters - The dielectric and optical properties of semiconductor compounds BiTeI and BiTeCl have been studied theoretically within time dependent density functional theory and experimentally...     

Influence of mechanical activation on the properties of the charge for growing NaBi(WO<Subscript>4</Subscript>)<Subscript>2</Subscript> and ScBaNa(BO<Subscript>3</Subscript>)<Subscript>2</Subscript> single crystals

A comparative study was performed on the influence of “pollution-free” mechanical activation (without abrasive-reactive wear of the milling tools of mechanochemical reactors) in oxide-carbonate-acid systems on synthesis and the properties of the charge for growing of bulk crystals.     

SDA 7: A modular and parallel implementation of the simulation of diffusional association software

The simulation of diffusional association (SDA) Brownian dynamics software package has been widely used in the study of biomacromolecular association. Initially developed to calculate bimolecular protein–protein association rate constants, it has since been extended to study electron transfer rates, to predict the structures of biomacromolecular complexes, to investigate the adsorption of proteins to inorganic surfaces, and to simulate the dynamics of large systems containing many biomacromolecular solutes, allowing the study of concentration‐dependent effects. These extensions have led to a number of divergent versions of the software. In this article, we report the development of the latest version of the software (SDA 7). This release was developed to consolidate the existing codes into a single framework, while improving the parallelization of the code to better exploit modern multicore shared memory computer architectures. It is built using a modular object‐oriented programming scheme, to allow for easy maintenance and extension of the software, and includes new features, such as adding flexible solute representations. We discuss a number of application examples, which describe some of the methods available in the release, and provide benchmarking data to demonstrate the parallel performance. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.     

Mixed Type of the Magnetic Order in Intrinsic Magnetic Topological Insulators Mn(Bi,Sb)2Te4

JETP Letters - It is known that Mn(Bi1 – xSbx)2Te4 is an intrinsic magnetic topological insulator, where the Dirac point can be localized at the Fermi level by substituting Bi atoms for Sb...