相关论文: Revised Periodic Boundary Conditions: Fundamentals…

Periodic Boundary Conditions (PBC) introduce well-known lattice artifacts. We present a novel Pseudoperiodic Spherical Boundary Condition (SBC) that is perfectly isotropic. Through detailed comparative simulations, we demonstrate that SBC…

A theoretical framework is developped leading to a sound derivation of Periodic Boundary Conditions (PBCs) for the analysis of domains smaller then the Unit Cells (UCs), named reduced Unit Cells (rUCs), by exploiting non-orthogonal…

We develop an algorithm for bosonic path integral molecular dynamics (PIMD) simulations with periodic boundary conditions (PBC) that scales quadratically with the number of particles. Path integral methods are a powerful tool to simulate…

Periodic boundary conditions (PBCs) for computing magnetic fields in repeating magnetic structures, e.g. in micromagnetic simulations, are typically imposed using the quasi periodic macrogeometry approach, where many copies of the simulated…

A Waveguide Port Boundary Condition (WPBC) based on the restriction of the approximation space is presented in the context of Finite Element Analysis. As well as reducing the computational domain in the same manner as the traditional WPBC,…

Artificial boundary conditions (BCs) play a ubiquitous role in numerical simulations of transport phenomena in several diverse fields, such as fluid dynamics, electromagnetism, acoustics, geophysics, and many more. They are essential for…

We present rotating periodic boundary conditions (PBCs) for the simulation of nonequilibrium molecular dynamics (NEMD) under uniaxial stretching flow (USF) or biaxial stretching flow (BSF). Such nonequilibrium flows need specialized PBCs…

We derive equations for evaluating differential operators in transparent boundary conditions (TBCs) for a certain class of hyperbolic systems of second-order equations. This local part of TBCs can be used as approximate nonreflecting…

We provide a framework to build periodic boundary conditions on the pseudosphere (or hyperbolic plane), the infinite two-dimensional Riemannian space of constant negative curvature. Starting from the common case of periodic boundary…

Periodic boundary conditions are commonly applied in molecular dynamics simulations in the microcanonical (NVE), canonical (NVT) and isothermal-isobaric (NpT) ensembles. In their simplest application, a biological system of interest is…

Projected Entangled Pair States (PEPS) are recognized as a potent tool for exploring two-dimensional quantum many-body systems. However, a significant challenge emerges when applying conventional PEPS methodologies to systems with periodic…

We present a novel efficient implementation of the flexible boundary condition (FBC) method, initially proposed by Sinclair et al., for large single-periodic problems. Efficiency is primarily achieved by constructing a hierarchical matrix…

In this paper, we propose a new type of bulk-boundary correspondence as a generic approach to theoretically and experimentally detect fragile topological states. When the fragile phase can be written as a difference of a trivial atomic…

This paper reviews the state of the art of periodic boundary conditions (PBCs) in Finite-Difference Time-Domain (FDTD) simulations. The mathematical principles and 3D FDTD implementation details are systematically outlined. Techniques for…

In recent decades, considerable research has been devoted to partial differential equations (PDEs) with dynamic boundary conditions. However, the physical interpretation of the parameters involved often remains unclear, which in turn limits…

We present a new recipe for relativistic quantum simulation using the first quantisation approach, under periodic (PBC) and Dirichlet (DBC) boundary conditions. The wavefunction is discretised across a finite grid represented by system…

We introduce spiral boundary conditions (SBCs) as a useful tool for handling the shape of finite-size periodic clusters. Using SBCs, a lattice model for more than two dimensions can be exactly projected onto a one-dimensional (1D) periodic…

Real physical systems are only understood, experimentally or theoretically, to a finite resolution so in their analysis there is generally an ignorance of possible short-range phenomena. It is also well-known that the boundary conditions of…

It is well understood that boundary conditions (BCs) may cause global radial basis function (RBF) methods to become unstable for hyperbolic conservation laws (CLs). Here we investigate this phenomenon and identify the strong enforcement of…

This paper is concerned with fast and accurate computation of exterior wave equations truncated via exact circular or spherical nonreflecting boundary conditions (NRBCs, which are known to be nonlocal in both time and space). We first…