Simulation of crack propagation with (molecular dynamics + micromechanics) model (3rd report, evaluation of fracture toughness and comparison with experimental results)

Yoshiyuki Furuya, Hirosi Noguchi

Research output: Contribution to journalArticle

Abstract

In this report the combined model of molecular dynamics with micromechanics was applied to a tungsten single crystal, and a crack propagation process was simulated till the material was fractured. In the simulation a pre-crack was introduced on a (110) plane and the direction was <001>. Cleavage, then, occurred along (121) plane which was in an inclined direction with respect to the pre-crack. The cleavage along (121) plane was also observed in an experiment. Three sizes of molecular dynamics regions were tested to investigate dependence of a simulation result on a size of a molecular dynamics region. It was found that the differences in the three simulation results were quite small. Fracture toughnesses in simulations, however, were about twice as large as that in an experiment.

Original languageEnglish
Pages (from-to)830-836
Number of pages7
JournalNihon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A
Volume66
Issue number644
DOIs
Publication statusPublished - Jan 1 2000

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Micromechanics
Molecular dynamics
Fracture toughness
Crack propagation
Cracks
Tungsten
Experiments
Single crystals
Direction compound

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

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abstract = "In this report the combined model of molecular dynamics with micromechanics was applied to a tungsten single crystal, and a crack propagation process was simulated till the material was fractured. In the simulation a pre-crack was introduced on a (110) plane and the direction was <001>. Cleavage, then, occurred along (121) plane which was in an inclined direction with respect to the pre-crack. The cleavage along (121) plane was also observed in an experiment. Three sizes of molecular dynamics regions were tested to investigate dependence of a simulation result on a size of a molecular dynamics region. It was found that the differences in the three simulation results were quite small. Fracture toughnesses in simulations, however, were about twice as large as that in an experiment.",
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