Structural rearrangement in fcc metals under shear deformation. Molecular dynamics simulation

S. G. Psakhie, K. P. Zolnikov, A. I. Dmitriev, D. S. Kryzhevich, A. Y. Nikonov

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The features of fcc metals atomic lattice structural reorganization under shift deformation are investigated. Mechanisms of deformation both for ideal crystalline and for a crystal containing various structural defects are analyzed. Investigations are carried out on the basis of computer simulations by mean of molecular dynamics method. It is shown that the beginning of structural reorganization of crystalline at plastic deformation is connected with atomic volume redistribution. In fcc lattice of metals it is possible to allocate local formations having hcp configuration and being some kind of precursor of irreversible structural changes in the atomic lattice. It was show also, that a nonuniform distribution of stress fields in the loaded crystal with structural defects may lead to the implementation of complex deformation mechanisms, including the formation of dynamic defects, which lifetimes are comparable with the Debye times. These theoretical studies can help to extend our knowledge about the materials with a crystalline structure behavior under dynamic loading.

Original languageEnglish
Pages (from-to)63-91
Number of pages29
JournalInternational Journal of Terraspace Science and Engineering
Volume3
Issue number1
Publication statusPublished - 1 Dec 2010

Fingerprint

Shear deformation
Molecular dynamics
Crystalline materials
Defects
Computer simulation
Metals
Crystals
Plastic deformation

Keywords

  • Atomic volume
  • Defect formation
  • Dynamic defect
  • Plastic deformation
  • Proto-defect

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Psakhie, S. G., Zolnikov, K. P., Dmitriev, A. I., Kryzhevich, D. S., & Nikonov, A. Y. (2010). Structural rearrangement in fcc metals under shear deformation. Molecular dynamics simulation. International Journal of Terraspace Science and Engineering, 3(1), 63-91.

Structural rearrangement in fcc metals under shear deformation. Molecular dynamics simulation. / Psakhie, S. G.; Zolnikov, K. P.; Dmitriev, A. I.; Kryzhevich, D. S.; Nikonov, A. Y.

In: International Journal of Terraspace Science and Engineering, Vol. 3, No. 1, 01.12.2010, p. 63-91.

Research output: Contribution to journalArticle

Psakhie, SG, Zolnikov, KP, Dmitriev, AI, Kryzhevich, DS & Nikonov, AY 2010, 'Structural rearrangement in fcc metals under shear deformation. Molecular dynamics simulation', International Journal of Terraspace Science and Engineering, vol. 3, no. 1, pp. 63-91.
Psakhie, S. G. ; Zolnikov, K. P. ; Dmitriev, A. I. ; Kryzhevich, D. S. ; Nikonov, A. Y. / Structural rearrangement in fcc metals under shear deformation. Molecular dynamics simulation. In: International Journal of Terraspace Science and Engineering. 2010 ; Vol. 3, No. 1. pp. 63-91.
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