• 제목/요약/키워드: Action-derived molecular dynamics

검색결과 2건 처리시간 0.019초

공간적 멀티스케일 모델의 동적 해석 (Dynamic Analysis of Spatial Multiscale Models)

  • 김성엽;박종연;조영삼;전석기;임세영
    • 대한기계학회:학술대회논문집
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    • 대한기계학회 2004년도 춘계학술대회
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    • pp.547-550
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    • 2004
  • We present a multiscale scheme which describes the dynamic pictures of atoms in the multiple length-scale systems. Large-scale atomic systems are reduced to coarse grained system by the quasicontinuum, of which the dynamic pathways are rendered by the action-derived molecular dynamics proved effective for multiple time-scale problems such as rare events. Adatom diffusions on the metal (001) surface are selected for our numerical examples. The energy barriers of the diffusions and the real dynamic trajectories of the adatoms are calculated.

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