Multiple time step molecular dynamics simulation for interaction between dislocations and grain boundaries

DOI10.1007/S10409-005-0050-XzbMath1200.74006OpenAlexW1978401789MaRDI QIDQ608626

Wei Yang, Xiao-Yan Li

Publication date: 25 November 2010

Published in: Acta Mechanica Sinica (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10409-005-0050-x

zbMATH Keywords

dislocationmolecular dynamicsgrain boundarymultiple time step

Mathematics Subject Classification ID

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

Related Items (2)

Large-scale simulation of graphene and structural superlubricity with improved smoothed molecular dynamics method ⋮ An improved smoothed molecular dynamics method by alternating with molecular dynamics

Cites Work

• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
• Multiple time scales in classical and quantum-classical molecular dynamics
• Interface microcrack nucleation
• The formation of cracks in plastic flow. II
• On the Product of Semi-Groups of Operators
• Long-Time-Step Methods for Oscillatory Differential Equations
• Verlet-I/R-RESPA/Impulse is Limited by Nonlinear Instabilities
• The formation of cracks as a result of plastic flow

This page was built for publication: Multiple time step molecular dynamics simulation for interaction between dislocations and grain boundaries