相关论文: Revised Periodic Boundary Conditions: Fundamentals…

We propose a new binary classification model called Phase Separation Binary Classifier (PSBC). It consists of a discretization of a nonlinear reaction-diffusion equation coupled with an Ordinary Differential Equation, and is inspired by…

In recent years, reduced basis methods (RBMs) have been adapted to the many-body eigenvalue problem and they have been used, largely in nuclear physics, as fast emulators able to bypass expensive direct computations while still providing…

Numerical simulations of crystal defects are necessarily restricted to finite computational domains, supplying artificial boundary conditions that emulate the effect of embedding the defect in an effectively infinite crystalline…

In this work we introduce the concept of characteristic boundary conditions (CBCs) within the framework of Hybridizable Discontinuous Galerkin (HDG) methods, including both the Navier-Stokes characteristic boundary conditions (NSCBCs) and a…

Continuum solvation methods can provide an accurate and inexpensive embedding of quantum simulations in liquid or complex dielectric environments. Notwithstanding a long history and manifold applications to isolated systems in open boundary…

In this study a new type of non-reflective boundary condition (NRBC) for the Lattice Boltzmann Method (LBM) is proposed; the Non-equilibrium Symmetry Boundary Condition (NSBC). The idea behind this boundary condition is to utilize the…

Implicit solvers present strong limitations when used on supercomputing facilities and in particular for adaptive mesh-refinement codes. We present a new method for implicit adaptive time-stepping on adaptive mesh refinement-grids. We…

A powerful technique is introduced for simulating mechanical and electromechanical properties of one-dimensional nanostructures under arbitrary combinations of bending, twisting, and stretching. The technique is based on a novel control of…

We are dealing with boundary conditions for Dirac-type operators, i.e., first order differential operators with matrix-valued coefficients, including in particular physical many-body Dirac operators. We characterize (what we conjecture is)…

We investigate a projection-based reduced-order model of the steady incompressible Navier-Stokes equations for moderate Reynolds numbers. In particular, we construct an "embedded" reduced basis space, by applying proper orthogonal…

We report the first implementation of the frequency-dependent electric dipole-electric dipole polarizability for 1D periodic systems computed with the coupled cluster with single and double excitations (CCSD) method with periodic boundary…

Nonlocal strain gradient continuum mechanics is a methodology widely employed in literature to assess size effects in nanostructures. Notwithstanding this, improper higher-order boundary conditions (HOBC) are prescribed to close the…

This paper reports the investigations done to adapt the Characteristic Boundary Conditions (CBC) to the Lattice-Boltzmann formalism for high Reynolds number applications. Three CBC formalisms are implemented and tested in an open source LBM…

In this article, we discuss the efficient ways of implementing the transparent boundary condition (TBC) and its various approximations for the free Schr\"{o}dinger equation on a hyperrectangular computational domain in $\field{R}^d$ with…

We report in this paper a fast and accurate algorithm for computing the exact spherical nonreflecting boundary condition (NRBC) for time-dependent Maxwell's equations. It is essentially based on a new formulation of the NRBC, which allows…

In this paper we develop a stochastic boundary conditions (SBC) for event-driven molecular dynamics simulations of a finite volume embedded within an infinite environment. In this method, we first collect the statistics of…

This paper addresses the numerical implementation of the transparent boundary condition (TBC) and its various approximations for the free Schr\"odinger equation on a rectangular computational domain. In particular, we consider the exact TBC…

Multiscale optimization is an attractive research field recently. For the most of optimization tools, design parameters should be updated during a close loop. Therefore, a simple Python code is programmed to obtain effective properties of…

This work presents a new approach to efficiently model the cathode in the moving boundary value problem of electrochemical machining. Until recently, the process simulation with finite elements had the drawback of remeshing required by the…

In goal-oriented requirement engineering, boundary conditions(BC) are used to capture the divergence of goals, i.e., goals cannot be satisfied as a whole in some circumstances. As the goals are formally described by temporal logic, solving…