Nanoindentation of Zr by molecular dynamics simulation

Zizhe Lu, Aleksandr Chernatynskiy, Mark J. Noordhoek, Susan B. Sinnott, Simon R. Phillpot

Research output: Contribution to journalArticlepeer-review

28 Scopus citations


Molecular dynamics simulations of nanoindentation are used to study the deformation behaviors of single crystal Zr for four different surface orientations. The comparison of results for two different potentials, an embedded atom method potential and a charged optimized many body potential, reveals the influence of stable and unstable stacking fault energy on dislocation behaviors under nanoindentation. The load-displacement curve, hardness and deformation behaviors of the various surface orientations Zr are compared and the elastic and plastic deformation behaviors are analyzed.

Original languageEnglish (US)
Pages (from-to)742-757
Number of pages16
JournalJournal of Nuclear Materials
StatePublished - Dec 1 2015

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • General Materials Science
  • Nuclear Energy and Engineering


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