Search results for "Computational Mathematic"

Derivation of a Homogenized Two-Temperature Model from the Heat Equation

2014

This work studies the heat equation in a two-phase material with spherical inclusions. Under some appropriate scaling on the size, volume fraction and heat capacity of the inclusions, we derive a coupled system of partial differential equations governing the evolution of the temperature of each phase at a macroscopic level of description. The coupling terms describing the exchange of heat between the phases are obtained by using homogenization techniques originating from [D. Cioranescu, F. Murat: Coll\`ege de France Seminar vol. 2. (Paris 1979-1980) Res. Notes in Math. vol. 60, pp. 98-138. Pitman, Boston, London, 1982.]

Error identities for variational problems with obstacles

2017

Аппроксимации по мере: задача Дирихле, универсальность и гипотеза Римана

2021

Аппроксимации по мере используются для решения асимптотической задачи Дирихле на произвольных открытых множествах, а также для демонстрации того обстоятельства, что многие функции, в том числе дзета-функция Римана, универсальны в смысле сходимости по мере. Выдвигается предположение о связи этих результатов с гипотезой Римана. Библиография: 12 наименований.

Removing the saturation assumption in Bank-Weiser error estimator analysis in dimension three

2020

International audience; We provide a new argument proving the reliability of the Bank-Weiser estimator for Lagrange piecewise linear finite elements in both dimension two and three. The extension to dimension three constitutes the main novelty of our study. In addition, we present a numerical comparison of the Bank-Weiser and residual estimators for a three-dimensional test case.

Structural, optical, and luminescence properties of ZnO:Ga optical scintillation ceramic

2018

This paper discusses the characteristics of ZnO and ZnO:Ga ceramics fabricated by uniaxial hot pressing. The short-wavelength transmission limit of zinc oxide ceramics is in the 370-nm region; the long-wavelength limit is determined by the free-charge-carrier concentration and lies in the interval from 5 to 9 μm. The total transmittance of such ceramics in the visible and near-IR regions is about 70% when the sample is 0.5 mm thick. The luminescence spectrum is represented by a broad emission band with maximum at 580 nm, having a defect nature. The introduction of 0.03–0.1 mass % gallium into the zinc oxide structure inhibits grain growth and increases the free-charge-carrier concentration …

Mathematical modelling of the feed rod shape in floating zone silicon crystal growth

2017

Abstract A three-dimensional (3D) transient multi-physical model of the feed rod melting in the floating zone (FZ) silicon single-crystal growth process is presented. Coupled temperature, electromagnetic (EM), and melt film simulations are performed for a 4 inch FZ system, and the time evolution of the open melting front is studied. The 3D model uses phase boundaries and parameters from a converged solution of a quasi-stationary axisymmetric (2D) model of the FZ system as initial conditions for the time dependent simulations. A parameter study with different feed rod rotation, crystal pull rates and widths of the inductor main slit is carried out to analyse their influence on the evolution …

Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble …

2015

Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles …

Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding.

2019

A novel spherical truncation method, based on fuzzy membership functions, is introduced to truncate interatomic (or interaminoacid) relations according to smoothing values computed from fuzzy membership degrees. In this method, the molecules are circumscribed into a sphere, so that the geometric centers of the molecules are the centers of the spheres. The fuzzy membership degree of each atom (or aminoacid) is computed from its distance with respect to the geometric center of the molecule, by using a fuzzy membership function. So, the smoothing value to be applied in the truncation of a relation (or interaction) is computed by averaging the fuzzy membership degrees of the atoms (or aminoacid…

Stochastic Galerkin method for cloud simulation

2018

AbstractWe develop a stochastic Galerkin method for a coupled Navier-Stokes-cloud system that models dynamics of warm clouds. Our goal is to explicitly describe the evolution of uncertainties that arise due to unknown input data, such as model parameters and initial or boundary conditions. The developed stochastic Galerkin method combines the space-time approximation obtained by a suitable finite volume method with a spectral-type approximation based on the generalized polynomial chaos expansion in the stochastic space. The resulting numerical scheme yields a second-order accurate approximation in both space and time and exponential convergence in the stochastic space. Our numerical results…

Extended two-body problem for rotating rigid bodies

2021

A new technique that utilizes surface integrals to find the force, torque and potential energy between two non-spherical, rigid bodies is presented. The method is relatively fast, and allows us to solve the full rigid two-body problem for pairs of spheroids and ellipsoids with 12 degrees of freedom. We demonstrate the method with two dimensionless test scenarios, one where tumbling motion develops, and one where the motion of the bodies resemble spinning tops. We also test the method on the asteroid binary (66391) 1999 KW4, where both components are modelled either as spheroids or ellipsoids. The two different shape models have negligible effects on the eccentricity and semi-major axis, but…