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Molecular dynamics simulations of the interaction between 60° dislocation and self-interstitial cluster in silicon

✍ Scribed by Yuhang Jing; Qingyuan Meng; Wei Zhao

Publisher: Elsevier Science
Year: 2009
Tongue: English
Weight: 407 KB
Volume: 404
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2009.04.001

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✦ Synopsis

Molecular dynamics simulations are performed to investigate the interaction between 601 shuffle dislocation and tetrainterstitial (I 4 ) cluster in silicon, using Stillinger-Weber (SW) potential to calculate the interatomic forces. Based on Parrinello-Rahman method, shear stress is exerted on the model to move the dislocation. Simulation results show that the I 4 cluster can bend the dislocation line and delay the dislocation movement. During the course of intersection the dislocation line sections relatively far away from the I 4 cluster accelerate first, and then decelerate. The critical shear stress unpinning the 601 dislocation from the I 4 cluster decreases as the temperature increases in the models.

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