Molecular dynamics simulation of dealloyed layer-enhanced dislocation emission and crack propagation

Q. K. Li, Y. Zhang, San-Qiang Shi, Wu Yang Chu

Research output: Journal article publicationJournal articleAcademic researchpeer-review

6 Citations (Scopus)


Three-dimensions molecular dynamics (MD) method by employing the embedded atom method (EAM) potential is used to simulate the effect of stress corrosion-induced dealloyed layer existed on the surface of a crack of Cu2Au alloy on dislocation emission and crack propagation. The simulations show that the existence of a dealloyed layer enhances dislocation emission and crack propagation, i.e., decreases the critical stress intensity for dislocation emission from KIe= 0.62 MPam1/2to KIe* = 0.556 MPam1/2and that for crack propagating after emitting large amounts of dislocations from KIP= 1.14 MPam1/2to KIP* = 1.06 MPam1/2. This indicates that dealloyed layer-induced tensile stress can help the applied stress to enhance dislocation emission and crack extension.
Original languageEnglish
Pages (from-to)927-932
Number of pages6
JournalMaterials Letters
Issue number6
Publication statusPublished - 1 Nov 2002


  • Crack extension
  • Dealloying layer
  • Dislocation emission
  • Molecular dynamics simulation

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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