A combined method of molecular dynamics with micromechanics improved by moving the molecular dynamics region successively in the simulation of elastic-plastic crack propagation

Y. Furuya, H. Noguchi

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Molecular dynamics is applicable only for a small region of simulation. To simulate a large region it is necessary to combine molecular dynamics with continuum mechanics. Previously we proposed a new model in which molecular dynamics was combined with micromechanics. A molecular dynamics model was applied to the crack tip region and a micromechanics model to the surrounding region. In that model, however, crack propagation simulation must be stopped when the crack tip reaches the boundary of the two regions. In this paper the previous model is improved by moving the molecular dynamics region successively with crack propagation. The improved model may be applied to simulate limitless crack propagation. In order to examine the validity of the improved model, we simulate α-iron. The calculation cost with the improved model is less than a tenth of that of the previous model although the results are equal to each other. The crack tip opening displacement calculated with this model is almost equal to the analytical solution derived by Rice.

Original languageEnglish
Pages (from-to)17-31
Number of pages15
JournalInternational Journal of Fracture
Volume94
Issue number1
DOIs
Publication statusPublished - Jan 1 1998

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Micromechanics
Combined Method
Crack Propagation
Molecular Dynamics
Molecular dynamics
Plastics
Crack propagation
Simulation
Crack Tip
Crack tips
Model
Continuum mechanics
Continuum Mechanics
Iron
Dynamic models
Dynamic Model
Analytical Solution
Necessary

All Science Journal Classification (ASJC) codes

  • Computational Mechanics
  • Modelling and Simulation
  • Mechanics of Materials

Cite this

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