ATOMISTIC SIMULATIONS OF BAUSCHINGER EFFECT IN NANOCRYSTALLINE ALUMINUM THIN FILMS

doi:10.3724/SP.J.1037.2013.00737

Acta Metall Sin

2014, Vol. 50

Issue (2): 219-225 DOI: 10.3724/SP.J.1037.2013.00737

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ATOMISTIC SIMULATIONS OF BAUSCHINGER EFFECT IN NANOCRYSTALLINE ALUMINUM THIN FILMS

LI Xiaoyan^1,²(

)

1 School of Engineering, Brown University, Providence, RI 02912, USA
2 Centre for Advanced Mechanics and Materials, AML, Department of Engineering Mechanics, Tsinghua University, Beijing 100084

Cite this article:

LI Xiaoyan. ATOMISTIC SIMULATIONS OF BAUSCHINGER EFFECT IN NANOCRYSTALLINE ALUMINUM THIN FILMS. Acta Metall Sin, 2014, 50(2): 219-225.

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Abstract

The early Bauschinger effect in nanocrystalline Al thin films with different thicknesses and microstructural orientations was investigated using large-scale atomistic simulations. The simulation results indicate that the microstructural orientation heterogeneity has a significant influence on the early Bauschinger effect and the associated plastic deformation mechanisms. The (110)-textured thin films show less Bauschinger effect compared to non-textured films despite having the same grain size, shape and thickness. The atomistic simulations reveal that the early Bauschinger effect originates from the reverse motion of dislocations and the reduction in dislocation density due to dislocation reactions during unloading, which are driven by the internal residual stress caused by the inhomogeneous deformation during loading.

Key words: nanocrystalline aluminum thin film Bauschinger effect dislocation plastic deformation atomistic simulation

Received: 15 November 2013

ZTFLH:

TG146.1

Fund: Supported by National Science Foundation (Nos.DMR-0520651, CMMI-0758535 and MSS090046)

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https://www.ams.org.cn/EN/10.3724/SP.J.1037.2013.00737 OR https://www.ams.org.cn/EN/Y2014/V50/I2/219

Fig.1

分子动力学模拟中所采用的试样的初始构型

Fig.2

分子动力学模拟得到的应力-应变曲线

Fig.3

具有不同晶粒取向的试样的塑性变形机制

Fig.4

在卸载过程中某晶粒内部位错线的反向运动

Fig.5

在卸载过程中某晶粒内部由于位错反应造成位错密度的降低

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