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We numerically investigate, and improve upon, a computational approach originally introduced in [Cottereau, IJNME 2013] which aims at evaluating the effective coefficient of a medium modelled by a highly oscillatory coefficient. This…
We present the mathematical study of a computational approach originally introduced by R. Cottereau in [R. Cottereau, IJNME 2013]. The approach aims at evaluating the effective (a.k.a. homogenized) coefficient of a medium with some…
The electron temperature dependent electron density of states, Fermi-Dirac distribution, and electron-phonon spectral function are computed as prerequisites before achieving effective electron-phonon coupling factor. The obtained coupling…
This paper presents a simple yet novel two-dimensional modelling approach for approximating the coupling coefficient between neighbouring inductors as a function of co-planar separation and relative angular displacement. The approach…
An overview of quantum-mechanical methods to generate cross-section data for electron collisions with atoms and molecules is presented. Particular emphasis is placed on the time-independent close-coupling approach, since it is particularly…
We present the short description of the methods for calculation of the coupling coefficients in the Coupling Cavity Model of arbitrary chain of resonators. In the first part the procedure that is based on the Mode Matching Method is given.…
We calculate the pair correlation function and the order parameter correlation function, which probe, respectively, the intra-pair and inter-pair correlations of a Fermi gas with attractive inter-particle interaction, in terms of a…
Metasurfaces have provided a novel and promising platform for the realization of compact and large-scale optical devices. The conventional metasurface design approach assumes periodic boundary conditions for each element, which is…
In this paper, a parallel overlapping domain decomposition preconditioner is proposed to solve the linear system of equations arising from the extended finite element discretization of elastic crack problems. The algorithm partitions the…
A procedure is presented to estimate the diffusion coefficient of a uniform patch of argon gas in a uniform background of helium gas. Molecular Dynamics (MD) simulations of the two gases interacting through the Lennard-Jones potential are…
We show an efficient way to compute the electron-phonon coupling constant, $\lambda$, and the superconducting transition temperature, Tc from first-principles calculations. This approach gives rapid convergence of Tc with respect to the…
We consider the well-posedness and a priori error estimates of a 3d FEM-BEM coupling method for fluid-structure interaction in the time domain. For an elastic body immersed in a fluid, the exterior linear wave equation for the fluid is…
Local-nonlocal coupling approaches combine the computational efficiency of local models and the accuracy of nonlocal models. However, the coupling process is challenging, requiring expertise to identify the interface between local and…
The chromium dimer (Cr2) presents an outstanding challenge for many-body electronic structure methods. Its complicated nature of binding, with a formal sextuple bond and an unusual potential energy curve, is emblematic of the competing…
The paper is concerned with the derivation and analysis of nonoverlapping domain decomposition for heterogeneous, anisotropic diffusion problems discretized by the finite element cell-centered (FECC) scheme. Differently from the standard…
We develop and analyze an optimization-based method for the coupling of a static peri-dynamic (PD) model and a static classical elasticity model. The approach formulates the coupling as a control problem in which the states are the…
In this work, a new partition-collocation strategy for the parallel execution of CFD--DEM couplings is investigated. Having a good parallel performance is a key issue for an Eulerian-Lagrangian software that aims to be applied to solve…
The massive quantities of genomic data being made available through gene sequencing techniques are enabling breakthroughs in genomic science in many areas such as medical advances in the diagnosis and treatment of diseases. Analyzing this…
We study a puzzle raised recently regarding the running coupling prescription used in the calculation of forward particle production in proton-nucleus collisions at next-to-leading order: using a coordinate space prescription which is…
Objective: We propose a novel approach for modelling the inter-dependence of electrical and mechanical phenomena in nervous cells, by using electro-thermal equivalences in finite element (FE) analysis so that existing thermo-mechanical…