A simple theoretical model for evaluating the ability to form a single crystal

doi:10.1088/1674-1056/19/7/076105

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

Received: 10 December 2009
Revised: 06 January 2010
Accepted manuscript online:

PACS:	81.10.-h	(Methods of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation)
	61.66.Bi	(Elemental solids)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10574030) and the Shanghai Leading Academic Discipline Project (Grant No. B107).

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Jin Yun-Fei(金云飞), Ming Chen(明辰), Ye Xiang-Xi(叶祥熙), Wang Wei-Min(王为民), and Ning Xi-Jing(宁西京) A simple theoretical model for evaluating the ability to form a single crystal 2010 Chin. Phys. B 19 076105

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