CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2010, Vol. 27 ›› Issue (2): 195-202.

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Constructing Dislocation Atom Distribution withContinuous Dislocation Theory

LU Guo1, FANG Buqing2, ZHANG Guangcai1,3   

  1. 1. Graduate School, Chinese Academy of Engineering Physics, Beijing 100088, China;
    2. China University of Mining and Technology (Beijing), Beijing 100083, China;
    3. Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
  • Received:2008-11-20 Revised:2009-06-18 Online:2010-03-25 Published:2010-03-25

Abstract: A method constructing atom distribution of dislocation configurations based on dislocation theory of continuous medium is presented. Theoretically, this method can be used to construct dislocations with any shape and any Burgers vector. For verification purpose, we construct a linear edge perfect dislocation with Burgers vector b=[110]/2 and a partial dislocation ring with b=[112]/6 in FCC copper. Decomposition process of a edge perfect dislocation and contraction of a partial dislocation ring driven by self-force is simulated. Simulation results agree well with theoretical analysis. The method shows significant superiority in constructing glissile dislocation loops which are generally difficult in other schemes.

Key words: FCC-Cu, dislocation loop, molecular dynamics, continuous dislocation theory

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