한국전산구조공학회:학술대회논문집 (Proceedings of the Computational Structural Engineering Institute Conference)

한국전산구조공학회 (Computational Structural Engineering Institute of Korea)
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분자동역학을 이용한 나노 와이어의 역학적 거동 해석

Analysis of Mechanical Behavior of Nanowire by Molecular Dynamics Simulation

  • 이병용 (서울대학교 기계항공공학부) ;
  • 조맹효 (서울대학교 기계항공공학부)
  • 발행 : 2007.04.12
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초록

Mechanical behavior of copper Nanowire is investigated, An FCC Nanowire model composed of 1,408 atoms is used for NID simulation, Simulations are performed within NVT ensemble setting without periodic boundary conditions, Nose-Poincare MD algorithm is employed to guarantee preservation of Hamiltonian. Numerical tensile tests are carried out with constant strain rate, Stress-strain curve is constructed from the calculated Cauchy stresses and specified strain values, Non-linear behavior appears around $\varepsilon$=0.064, At this instance, starting of structural reorientations are observed.

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