Nanoindentation of polysilicon and single crystal silicon: Molecular dynamics simulation and experimental validation

Saurav Goel, Nadimul Haque Faisal, Xichun Luo, Jiwang Yan, Anupam Agrawal

研究成果: Article査読

69 被引用数 (Scopus)

抄録

This paper presents novel advances in the deformation behaviour of polycrystalline and single crystal silicon using molecular dynamics (MD) simulation and validation of the same via nanoindentation experiments. In order to unravel the mechanism of deformation, four simulations were performed: indentation of a polycrystalline silicon substrate with a (i) Berkovich pyramidal and a (ii) spherical (arc) indenter, and (iii and iv) indentation of a single crystal silicon substrate with these two indenters. The simulation results reveal that high pressure phase transformation (HPPT) in silicon (Si-I to Si-II phase transformation) occurred in all cases; however, its extent and the manner in which it occurred differed significantly between polycrystalline silicon and single crystal silicon, and was the main driver of differences in the nanoindentation deformation behaviour between these two types of silicon. Interestingly, in polycrystalline silicon, the HPPT was observed to occur more preferentially along the grain boundaries than across the grain boundaries. An automated dislocation extraction algorithm (DXA) revealed no dislocations in the deformation zone, suggesting that HPPT is the primary mechanism in inducing plasticity in silicon.

本文言語English
論文番号275304
ジャーナルJournal of Physics D: Applied Physics
47
27
DOI
出版ステータスPublished - 2014 7 9

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学
  • 音響学および超音波学
  • 表面、皮膜および薄膜

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