Molecular dynamics simulation of nano-indentation of (111) cubic boron nitride with optimized Tersoff potential

Yinbo Zhao, Xianghe Peng, Tao Fu, Cheng Huang, Chao Feng, Deqiang Yin, Zhongchang Wang

    Research output: Contribution to journalArticlepeer-review

    24 Citations (Scopus)

    Abstract

    We conduct molecular dynamics simulation of nanoindentation on (111) surface of cubic boron nitride and find that shuffle-set dislocations slip along <112> direction on {111} plane at the initial stage of the indentation. The shuffle-set dislocations are then found to meet together, forming surfaces of a tetrahedron. We also find that the surfaces are stacking-fault zones, which intersect with each other, forming edges of stair-rod dislocations along <110> direction. Moreover, we also calculate the generalized stacking fault (GSF) energies along various gliding directions on several planes and find that the GSF energies of the <112>{111} and <110>{111} systems are relatively smaller, indicating that dislocations slip more easily along <110> and <112> directions on the {111} plane.

    Original languageEnglish
    Pages (from-to)309-315
    Number of pages7
    JournalApplied Surface Science
    Volume382
    DOIs
    Publication statusPublished - 2016 Sep 30

    Keywords

    • Cubic boron nitride
    • Dislocation slip
    • Molecular dynamics simulation
    • Nano-indentation
    • Stacking fault energy
    • Tersoff potential

    ASJC Scopus subject areas

    • Chemistry(all)
    • Condensed Matter Physics
    • Physics and Astronomy(all)
    • Surfaces and Interfaces
    • Surfaces, Coatings and Films

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