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《Journal of Materials Science and Engineering》 2005-05
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Molecular Dynamics Simulation of the Effect of Grain Boundary upon Vacancy Growth in Copper Nano-crystal

ZHU Chun-zhang(Department of Material Engineering,Nanjing Institute of Technology,Nanjing 210013,China)  
Molecular dynamics simulation is used to study the tension process of copper nano-bicrystal containing a Σ9 symmetric tilt grain boundary.What in discussion is the effect of grain boundary (GB) on the growth of vacancy in crystal.The results reveal that GB can promote the growth of vacancy along the interface,while obstruct it from growing into another grain through the interface.In addition,more plastic deformation is found when the initial vacancy runs away from the GB.The simulation also shows that the crystal is weakened by the vacancy in it in the way that the nearer the vacancy to the GB,the lower the strength.
【CateGory Index】: TG113
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