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A simple theoretical model for evaluating the ability to form a single crystal
Authors:Jin Yun-Fei  Ming Chen  Ye Xiang-Xi  Wang Wei-Min  Ning Xi-Jing
Affiliation:Institute of Modern Physics, Fudan University, Shanghai 200433, China; Applied Ion Beam Physics Laboratory, Key Laboratory of the Ministry of Education, Fudan University, Shanghai 200433, China;Dongfang Steam Turbine Works, Deyang 618000, China
Abstract:
A simple theoretical model proposed recently to evaluate the ability of bulk materials to form single crystals is further tested via vast molecular dynamics simulations of growth for fcc (Ni, Cu, Al, Ar) and hcp (Mg) crystals, especially applied to the growth of bcc (Fe) crystal, showing that the validity of the model is independent of crystal types and the interaction potentials of the constitute atoms.
Keywords:single crystal  crystal growth  molecular dynamics  material design
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