Coarse-grained atomistic simulation of dislocations

DOI10.1016/j.jmps.2010.11.005zbMath1270.74008OpenAlexW2060769690MaRDI QIDQ361290

David L. McDowell, Youping Chen, Limning Xiong, Garritt J. Tucker

Publication date: 29 August 2013

Published in: Journal of the Mechanics and Physics of Solids (Search for Journal in Brave)

Full work available at URL: http://www.sciencedirect.com/science/article/pii/S0022509610002395

zbMATH Keywords

molecular dynamicsbalance equationsdislocationscoarse-grainingatomistic formulation

Mathematics Subject Classification ID

Micromechanical theories (74A60) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (10)

A parallel algorithm for the concurrent atomistic-continuum methodology ⋮ A concurrent multiscale study of dynamic fracture ⋮ Coarse-graining molecular dynamics models using an extended Galerkin projection method ⋮ A concurrent multiscale method based on smoothed molecular dynamics for large-scale parallel computation at finite temperature ⋮ Investigating shock wave propagation, evolution, and anisotropy using a moving window concurrent atomistic-continuum framework ⋮ Investigating the deformation of nanocrystalline copper with microscale kinematic metrics and molecular dynamics ⋮ Asymmetry of the atomic-level stress tensor in homogeneous and inhomogeneous materials ⋮ An Effective and Easy-to-Implement Boundary Condition for Molecular Dynamics Simulations ⋮ An atomistic-to-continuum molecular dynamics: theory, algorithm, and applications ⋮ Moving window techniques to model shock wave propagation using the concurrent atomistic-continuum method

Uses Software

• DL_POLY

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Multiscale plasticity modeling: Coupled atomistics and discrete dislocation mechanics
• A bridging domain method for coupling continua with molecular dynamics
• A variational approach to coarse graining of equilibrium and non-equilibrium atomistic description at finite temperature
• Multi-scale plasticity modeling: coupled discrete dislocation and continuum crystal plasticity
• Multiscale modeling of the plasticity in an aluminum single crystal
• On plastic deformation and the dynamics of 3D dislocations
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• A multiscale model of plasticity
• A coupled atomistic/continuum model of defects in solids.
• Connecting molecular dynamics to micromorphic theory. I: Instantaneous and averaged mechanical variables
• Connecting molecular dynamics to micromorphic theory. II: Balance laws
• Reformulation of elasticity theory for discontinuities and long-range forces
• A material frame approach for evaluating continuum variables in atomistic simulations
• Coupled atomistic--continuum simulations using arbitrary overlapping domains
• A Continuum Model for Void Nucleation by Inclusion Debonding
• Dislocation-based approximate solution of the plastic zone of the mode II crack in an elastic perfectly plastic solid
• Concurrently coupled atomistic and XFEM models for dislocations and cracks
• Blending in the extended finite element method by discontinuous Galerkin and assumed strain methods
• An adaptive spacetime discontinuous Galerkin method for cohesive models of elastodynamic fracture
• On the Cauchy—Born Rule
• An analysis of the quasicontinuum method

This page was built for publication: Coarse-grained atomistic simulation of dislocations