Effect of twin boundary on nanoimprint process of bicrystal Al thin film studied by molecular dynamics simulation

doi:10.1088/1674-1056/24/2/026201

Abstract The effects of a twin boundary (TB) on the mechanical properties of two types of bicrystal Al thin films during the nanoimprint process are investigated by using molecular dynamics simulations. The results indicate that for the TB direction parallel to the imprinting direction, the yield stress reaches the maximum for the initial dislocation nucleation when the mould directly imprints to the TB, and the yield stress first decreases with the increase of the marker interval and then increases. However, for the TB direction perpendicular to the imprinting direction, the effect of the TB location to the imprinting forces is very small, and the yield stress is greater than that with the TB direction parallel to the imprinting direction. The results also demonstrate that the direction of the slip dislocations and the deformation of the thin film caused by spring-back are different due to various positions and directions of the TB.

Keywords: nanoimprint molecular dynamic simulation twin boundary

Received: 16 May 2014
Revised: 14 October 2014
Accepted manuscript online:

PACS:	62.25.-g	(Mechanical properties of nanoscale systems)
	61.46.-w	(Structure of nanoscale materials)
	64.70.Nd	(Structural transitions in nanoscale materials)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10902083), the Program for New Century Excellent Talent in University of Ministry of Education of China (Grant No. NCET-12-1046), the Program for New Scientific and Technological Star of Shaanxi Province, China (Grant No. 2012KJXX-39), and the Program for Natural Science Basic Research Plan in Shaanxi Province, China (Grant No. 2014JQ1036).

Corresponding Authors: Xie Yue-Hong, Song Hai-Yang
E-mail: lengyue204@163.com;gsfshy@sohu.com

Cite this article:

Xie Yue-Hong (谢月红), Xu Jian-Gang (徐建刚), Song Hai-Yang (宋海洋), Zhang Yun-Guang (张云光) Effect of twin boundary on nanoimprint process of bicrystal Al thin film studied by molecular dynamics simulation 2015 Chin. Phys. B 24 026201

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Effect of twin boundary on nanoimprint process of bicrystal Al thin film studied by molecular dynamics simulation

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