Traction boundary conditions for molecular static simulations

DOI10.1016/j.cma.2016.05.002zbMath1439.82012arXiv1503.03555OpenAlexW1808985114MaRDI QIDQ2308596

Xiantao Li, Jian-feng Lu

Publication date: 3 April 2020

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1503.03555

zbMATH Keywords

boundary conditionsatomistic modelsdislocation dipole

Mathematics Subject Classification ID

Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (3)

Existence and convergence of solutions of the boundary value problem in atomistic and continuum nonlinear elasticity theory ⋮ Accurate boundary treatment for Riesz space fractional diffusion equations ⋮ Numerical boundary treatment for shock propagation in the fractional KdV-Burgers equation

Uses Software

• L-BFGS
• OVITO

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Multiscale plasticity modeling: Coupled atomistics and discrete dislocation mechanics
• An adaptive strategy for the control of modeling error in two-dimensional atomic-to-continuum coupling simulations
• An atomistic-based boundary element method for the reduction of molecular statics models
• Molecular dynamics boundary conditions for regular crystal lattices
• Phonon absorbing boundary conditions for molecular dynamics
• Domain reduction method for atomistic simulations
• Cauchy-Born rule and the stability of crystalline solids: Static problems
• On the limited memory BFGS method for large scale optimization
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• A dynamic atomistic--continuum method for the simulation of crystalline materials
• On the stability of boundary conditions for molecular dynamics
• Stability Of A Force-Based Hybrid Method With Planar Sharp Interface
• Numerical strategy for unbiased homogenization of random materials
• Ghost forces and spurious effects in atomic‐to‐continuum coupling methods by the Arlequin approach
• Absorbing Boundary Conditions for Difference Approximations to the Multi-Dimensional Wave Equation
• Absorbing Boundary Conditions for the Numerical Simulation of Waves
• Asymptotic expansions of lattice Green's functions
• Convergence of a Force-Based Hybrid Method in Three Dimensions
• Construction and Sharp Consistency Estimates for Atomistic/Continuum Coupling Methods with General Interfaces: A Two-Dimensional Model Problem
• Atomistic-to-continuum coupling
• MultiScale Modeling of Physical Phenomena: Adaptive Control of Models
• A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations
• A unified interpretation of stress in molecular systems

This page was built for publication: Traction boundary conditions for molecular static simulations