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Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…

Computational Physics · Physics 2018-05-09 Jason A. Wagoner , Vijay S. Pande

We introduce a new type of boundary conditions, {\it smooth boundary conditions}, for numerical studies of quantum lattice systems. In a number of circumstances, these boundary conditions have substantially smaller finite-size effects than…

Condensed Matter · Physics 2009-10-22 M. Vekic , S. R. White

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…

Computational Physics · Physics 2022-10-03 Max Hodapp

The classical lattice dynamics of honeycomb lattices is studied in the harmonic approximation. Interactions between nearest neighbors are represented by springs connecting them. A short and necessary introduction of the lattice structure is…

Mesoscale and Nanoscale Physics · Physics 2016-08-16 József Cserti , Géza Tichy

We present a set of well-posed constraint-preserving boundary conditions for a first-order in time, second-order in space, harmonic formulation of the Einstein equations. The boundary conditions are tested using robust stability, linear and…

General Relativity and Quantum Cosmology · Physics 2008-11-26 Jennifer Seiler , Bela Szilagyi , Denis Pollney , Luciano Rezzolla

We present Monte Carlo simulation results for a two-dimensional Ising model with ferromagnetic nearest-neighbor couplings and a competing long-range dipolar interaction on a honeycomb lattice. Both structural and thermodynamic properties…

Statistical Mechanics · Physics 2012-07-26 Robert Rüger , Roser Valentí

We study and implement a simple method, based on the Perfectly Matched Layer approach, to treat non reflecting boundary conditions with the Smoothed Particles Hydrodynamics numerical algorithm. The method is based on the concept of physical…

Computational Physics · Physics 2012-02-28 Molteni Diego , Rosario Grammauta , Enrico Vitanza

Two-particle lattice states are important for physics of magnetism, superconducting oxides, and cold quantum gases. The quantum-mechanical lattice problem is exactly solvable for finite-range interaction potentials. A two-body Schroedinder…

Superconductivity · Physics 2023-12-25 Pavel E. Kornilovitch

Layered materials tend to exhibit intriguing crystalline symmetries and topological characteristics based on their two dimensional (2D) geometries and defects. We consider the diffusion dynamics of positively charged ions (cations)…

Materials Science · Physics 2022-04-21 Godwill Mbiti Kanyolo , Titus Masese

We apply boundary integral equations for the first time to the two-dimensional scattering of time-harmonic waves from a smooth obstacle embedded in a continuously-graded unbounded medium. In the case we solve the square of the wavenumber…

Numerical Analysis · Mathematics 2016-05-04 Alex. H. Barnett , Bradley J. Nelson , J. Matthew Mahoney

An optical lattice is a periodic light crystal constructed from the standing-wave interference patterns of laser beams. It can be used to store and manipulate quantum degenerate atoms and is an ideal platform for the quantum simulation of…

Optics · Physics 2026-02-04 Kendall Mehling , Murray Holland , Catie LeDesma

The concept of periodic boundary conditions (PBCs) is immensely significant in treating an ideal lattice of infinite extent as a finite lattice. An explicit usage of PBCs is often found missing in undergraduate texts on analytical treatment…

Physics Education · Physics 2023-09-13 Jeet Shannigrahi , Pragati Ashdhir

We derive and analyse well-posed boundary conditions for the linear shallow water wave equation. The analysis is based on the energy method and it identifies the number, location and form of the boundary conditions so that the initial…

Numerical Analysis · Mathematics 2023-09-29 Rudi Prihandoko , Kenneth Duru , Stephen Roberts , Christopher Zoppou

Consider the scattering of a time-harmonic plane wave by a rigid obstacle embedded in a homogeneous and isotropic elastic medium in two dimensions. In this paper, a novel boundary integral formulation is proposed and its highly accurate…

Numerical Analysis · Mathematics 2020-07-20 Heping Dong , Jun Lai , Peijun Li

An accurate and easily extendable method to deal with lattice dynamics of solids is offered. It is based on first-principles molecular dynamics simulations and provides a consistent way to extract the best possible harmonic - or higher…

Materials Science · Physics 2013-10-14 Olle Hellman , I. A. Abrikosov , S. I. Simak

This paper proposes a new method, in the frequency domain, to define absorbing boundary conditions for general two-dimensional problems. The main feature of the method is that it can obtain boundary conditions from the discretized equations…

Classical Physics · Physics 2015-05-14 Denis Duhamel , Tien-Minh Nguyen

We study the exact solution of the two-body problem on a tight-binding one-dimensional lattice, with pairwise interaction potentials which have an arbitrary but finite range. We show how to obtain the full spectrum, the bound and scattering…

Other Condensed Matter · Physics 2015-05-18 Manuel Valiente

We studied numerically electromagnetic response of the finite periodic structure consisting of the ${\cal{PT}}$ dipoles represented by two infinitely long, parallel cylinders with the opposite sign of the imaginary part of a refractive…

Mesoscale and Nanoscale Physics · Physics 2018-05-23 P. Markos , V. Kuzmiak

We examine the applicability of diffusive lattice Boltzmann methods to simulate the fluid transport through barrier coatings, finding excellent agreement between simulations and analytical predictions for standard parameter choices. To…

Computational Physics · Physics 2017-06-28 Kyle T. Strand , Aaron J. Feickert , Alexander J. Wagner

High order accurate Hermite methods for the wave equation on curvilinear domains are presented. Boundaries are treated using centered compatibility conditions rather than more standard one-sided approximations. Both first-order-in-time…

Numerical Analysis · Mathematics 2024-12-04 Allen Alvarez Loya , Daniel Appelö , William D. Henshaw
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