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 journalArticlepeer-review

19 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 - 1998

All Science Journal Classification (ASJC) codes

  • Computational Mechanics
  • Modelling and Simulation
  • Mechanics of Materials

Fingerprint Dive into the research topics of 'A combined method of molecular dynamics with micromechanics improved by moving the molecular dynamics region successively in the simulation of elastic-plastic crack propagation'. Together they form a unique fingerprint.

Cite this