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The Korean Society for Composite Materials (한국복합재료학회)
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A molecular dynamics simulation on the defect structure in silicon under indentation

분자동력학 해석을 이용한 인덴테이션시 실리콘 내부의 결함구조에 관한 연구

  • Trandinh, Long (Division of Mechanical and Automotive Engineering, Kongju National University) ;
  • Ryu, Yong-Moon (Korea Automotive Technology Institute) ;
  • Kang, Woo-Jong (School of Mechanical and Automotive Engineering, Kyungil University) ;
  • Cheon, Seong-Sik (Division of Mechanical and Automotive Engineering, Kongju National Universily)
  • Published : 2011.04.30
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Abstract

,In this paper, the symmetric axis parameter method, which was proposed to identify defects, dislocations and stacking fault, with perfect structures in the zinc-blende materials, was introduced as a way to distinguish between elastic and plastic deformation. LAMMPS, a molecular dynamics programme of Sandia National Laboratories, was used to perform nanoindentation simulation on silicon, a zinc-blende material. Defects in silicon (111) under spherical indentation showed the threefold pattern and the slip system in the form of ring crack. Also simulation results show good agreement with experimental results and existing theoretical analyses.

본 논문에서는 zinc blende계열의 결정구조를 갖는 실리콘 내부의 결함을 분석할 수 있는 대칭축 파라메터 (Symmetric axis parameter)방법을 이용하여, 탄성 및 소성 변형을 구별하는 방법을 제시하였다. 분자 동력학 해석프로그램인 LAMMPS를 사용하여, 실리콘에 대한 나노인덴테이션 해석을 수행하였다. 구형 인덴터 아래에 발생한 실리콘내부의 결함은 ring crack에서의 threefold 무늬와 전위발생경로를 보여주였다. 또한, 해석결과는 기존의 이론이나, 실험결과와도 일치하는 것을 확인하였다.

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