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On sector magnets or transverse electromagnetic fields in cylindrical coordinatesMar 10 2016The Laplace's equations for the scalar and vector potentials describing electric or magnetic fields in cylindrical coordinates with translational invariance along azimuthal coordinate are considered. The series of special functions which, when expanded ... More

Effect of Interfacial Structural Phase Transitions on the Coupled Motion of Grain Boundaries: A Molecular Dynamics StudyMay 14 2014In this work the coupled motion of two different phases of {\Sigma}5(210)[001] grain boundaries were investigated by molecular dynamics simulations of fcc Cu. The effect of interfacial structural phase transitions is shown to have a profound effect on ... More

The local regularity theory for the Navier-Stokes Equations Near the BoundaryFeb 28 2014This is an expository paper on the theory of local regularity for weak solutions to the non-stationary 3D Navier-Stokes equations near the boundary of a domain.

An analogue of the Perelomov-Popov formula for the Lie superalgebra Q(N)Mar 18 2019Mar 19 2019In this short note we study the center of the universal enveloping algebra of the strange Lie superalgebra Q(N). We obtain an analogue of the well known Perelomov-Popov formula (1968) for central elements of this algebra - an expression of the central ... More

An analogue of the Perelomov-Popov formula for the Lie superalgebra Q(N)Mar 18 2019Apr 01 2019In this short note we study the center of the universal enveloping algebra of the strange Lie superalgebra Q(N). We obtain an analogue of the well known Perelomov-Popov formula (1968) for central elements of this algebra - an expression of the central ... More

Molecular dynamics modeling of self-diffusion along a triple junctionFeb 08 2013We propose a computational procedure for creating a stable equilibrium triple junction (TJ) with controlled grain misorientations. We apply this procedure to construct a TJ between a {\Sigma}5(210) grain boundary (GB) and two general high-angle GBs in ... More

Step Free Energies at Faceted Solid-Liquid Interfaces from Equilibrium Molecular Dynamics SimulationsNov 12 2012In this work a method is proposed for computing step free energies for faceted solid-liquid interfaces based on atomistic simulations. The method is demonstrated in an application to (111) interfaces in elemental Si, modeled with the classical Stillinger-Weber ... More

Algorithms of Fast Search of Center, Radius and Diameter on Weighted GraphsSep 21 2012Two problems in the search of metric characteristics on weighted undirected graphs with non-negative edge weights are being considered. The first problem: a weighted undirected graph with non-negative edge weight is given. The radius, diameter and at ... More

Phases, phase equilibria and phase rules in low-dimensional systemsJun 29 2015We present a unified approach to thermodynamic description of one, two and three dimensional phases and phase transformations among them. The approach is based on a rigorous definition of a phase applicable to thermodynamic systems of any dimensionality. ... More

Estimates of solutions to the perturbed Stokes systemFeb 28 2014In this paper we derive local estimates of solutions of the Perturbed Stokes system. This system arises as a reduction of the Stokes system near a curved part of the boundary of the domain if one applies a diffeomorphism flatting the boundary. The estimates ... More

Discovering Inorganic Electrides from an Automated Computational ScreeningDec 15 2018Feb 11 2019Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique properties which make these materials desirable for many applications in catalysis, nonlinear optics and electron emission. ... More

On the Aizenman exponent in critical percolationJul 25 2002Oct 27 2002The probabilities of clusters spanning a hypercube of dimensions two to seven along one axis of a percolation system under criticality were investigated numerically. We used a modified Hoshen--Kopelman algorithm combined with Grassberger's "go with the ... More

Exceptional collections on some fake quadricsOct 12 2014We construct exceptional collections of maximal length on four families of surfaces of general type with $p_g=q=0$ which are isogenous to a product of curves. From these constructions we obtain new examples of quasiphantom categories as their orthogonal ... More

Numerical estimate of minimal active-sterile neutrino mixing for sterile neutrinos at GeV scaleFeb 13 2018Oct 08 2018Seesaw mechanism constrains from below mixing between active and sterile neutrinos for fixed sterile neutrino masses. Signal events associated with sterile neutrino decays inside a detector at fixed target experiment are suppressed by the mixing angle ... More

Pressure induced Hydrogen-Hydrogen interaction in metallic FeH revealed by NMRFeb 08 2019Knowledge of the behavior of hydrogen in metal hydrides is the key for understanding their electronic properties. So far, no experimental methods exist to access these properties beyond 100 GPa, where high-Tc superconductivity emerges. Here, we present ... More

Spin wave contribution to the nuclear spin-lattice relaxation in triplet superconductorsJun 21 2005We discuss collective spin wave excitations in triplet superconductors with an easy axis anisotropy for the order parameter. Using a microscopic model for interacting electrons we estimate the frequency of such excitations in Bechgaard salts and ruthenate ... More

Segregation-induced phase transformations in grain boundariesJun 29 2015Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that provide direct ... More

Systematic Study of Accuracy of Wall-Modeled Large Eddy Simulation using Uncertainty Quantification TechniquesOct 11 2018Mar 29 2019The predictive accuracy of wall-modeled large eddy simulation is studied by systematic simulation campaigns of turbulent channel flow. The effect of wall model, grid resolution and anisotropy, numerical convective scheme and subgrid-scale modeling is ... More

A Library for Wall-Modelled Large-Eddy Simulation Based on OpenFOAM TechnologyJul 31 2018This work presents a feature-rich open-source library for wall-modelled large-eddy simulation (WMLES), which is a turbulence modelling approach that reduces the computational cost of traditional (wall-resolved) LES by introducing special treatment of ... More

Systematic Study of Accuracy of Wall-Modeled Large Eddy Simulation using Uncertainty Quantification TechniquesOct 11 2018The predictive accuracy of wall-modeled large eddy simulation is studied by systematic simulation campaigns of turbulent channel flow. The effect of wall model, grid resolution and anisotropy, numerical convective scheme and subgrid-scale modeling is ... More

Capillary fluctuations of surface steps: An atomistic simulation study for the model Cu(111) systemJun 09 2017Oct 20 2017Molecular dynamics (MD) simulations are employed to investigate the capillary fluctuations of steps on the surface of a model metal system. The fluctuation spectrum, characterized by the wave number ($k$) dependence of the mean squared capillary-wave ... More

Step free energies at faceted solid surfaces: Theory and atomistic calculations for steps on the Cu(111) surfaceJan 25 2017Apr 27 2017A theory for the thermodynamic properties of steps on faceted crystalline surfaces is presented. The formalism leads to the definition of step excess quantities, including an excess step stress that is the step analogy of surface stress. The approach ... More

MIDV-500: A Dataset for Identity Documents Analysis and Recognition on Mobile Devices in Video StreamJul 16 2018Jan 09 2019A lot of research has been devoted to identity documents analysis and recognition on mobile devices. However, no publicly available datasets designed for this particular problem currently exist. There are a few datasets which are useful for associated ... More

Control of Light Diffusion in a Disordered Photonic WaveguideMay 29 2014We control the diffusion of light in a disordered photonic waveguide by modulating the waveguide geometry. In a single waveguide of varying cross-section, the diffusion coefficient changes spatially in two dimensions due to localization effects. The intensity ... More

Free energy of grain boundary phases: Atomistic calculations for $Σ$5(310)[001] grain boundary in CuJul 09 2018Sep 10 2018Atomistic simulations are employed to demonstrate the existence of a well-defined thermodynamic phase transformation between grain boundary (GB) phases with different atomic structures. The free energy of different interface structures for an embedded-atom-method ... More

Competition between Triplet Superconductivity and Antiferromagnetism in Quasi One-Dimensional Electron SystemsSep 17 2004We investigate the competition between antiferromagnetism and triplet superconductivity in quasi one-dimensional electron systems. We show that the two order parameters can be unified using a SO(4) symmetry and demonstrate the existence of such symmetry ... More

Electron-assisted magnetization tunneling in single spin systemsJun 06 2017Nov 09 2017Magnetic excitations of single atoms on surfaces have been widely studied experimentally in the past decade. Lately, systems with unprecedented magnetic stability started to emerge. Here, we present a general theoretical investigation of the stability ... More

SO(4) Theory of Competition between Triplet Superconductivity and Antiferromagnetism in Bechgaard SaltsMar 16 2004Sep 20 2004Motivated by recent experiments with Bechgaard salts, we investigate the competition between antiferromagnetism and triplet superconductivity in quasi one-dimensional electron systems. We unify the two orders in an SO(4) symmetric framework, and demonstrate ... More

Large Tunneling Anisotropic Magnetoresistance mediated by Surface StatesJan 06 2018We investigated the tunneling anisotropic magnetoresistance (TAMR) in thick hcp Co films at cryogenic temperatures using scanning tunneling microscopy. At around -350 mV, a strong TAMR up to 30\% is found with a characteristic voltage dependence and a ... More

Structural phase transformations in metallic grain boundariesNov 08 2012Mar 29 2013Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural transformations in high-angle ... More

High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re$_{2}$(N$_{2}$)N$_{2}$ stable at ambient conditionsFeb 25 2019Here we report the synthesis of metallic, ultraincompressible (bulk modulus $K_{0}$ = 428(10) GPa) and very hard (nanoindentation hardness 36.7(8) GPa) rhenium (V) nitride pernitride Re$_{2}$(N$_{2}$)N$_{2}$. While the empirical chemical formula of the ... More

Calculation of geometric characteristics of land cover and urban canyon for multi-scale parameterization of megalopolis meteorological modelsMay 26 2013The results of studies on the development of computational techniques for geometric and thematic characteristics of the underlying surface and urban canyon are presented. These characteristics are intended for parameterization of the local model of energy-mass ... More

The charge transport mechanism and electron trap nature in thermal oxide on siliconApr 12 2016Jul 26 2016The charge transport mechanism of electron via traps in amorphous SiO$_2$ has been studied. Electron transport is limited by phonon-assisted tunneling between traps. Thermal and optical trap energies $W_\mathrm{t}=1.6$ eV, $W_\mathrm{opt}=3.2$ eV, respectively, ... More

Predicting phase behavior of grain boundaries with evolutionary search and machine learningJul 31 2017The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that can predict ... More

Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defectsApr 14 2018We use atomistic simulations to investigate grain boundary (GB) phase transitions in el- emental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of grain boundary phase transitions in [100] symmetric tilt boundaries in face-centered ... More

Magnetic adatoms as memory bits: A quantum master equation analysisFeb 09 2015May 08 2015Due to underlying symmetries the ground states of magnetic adatoms may be highly stable, which opens perspectives for application as single-atom memory. A specific example is a single holmium atom (with $J=8$) on a platinum (111) surface for which exceptionally ... More

Stabilizing isolated skyrmions at low magnetic fields exploiting vanishing magnetic anisotropyJul 26 2017Skyrmions are topologically protected non-collinear magnetic structures. Their stability and dynamics, arising from their topological character, have made them ideal information carriers e.g. in racetrack memories. The success of such a memory critically ... More

Computational Design of Flexible Electrides with Non-trivial Band TopologyNov 28 2018Feb 01 2019Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we employ the first-principles crystal structure prediction to identify a ... More

High efficiency laser-assisted H- charge exchange for microsecond duration beamsMay 11 2018Laser-assisted stripping is a novel approach to H- charge exchange that overcomes long-standing limitations associated with the traditional, foil-based method of producing high-intensity, time-structured beams of protons. This paper reports on the first ... More