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<p>Dislocation dynamics during vibration-assisted deformation is difficult to trace by traditional experimental methods. In this paper, the molecular dynamics simulations were designed to describe the transient responses of substructures during vibration-assisted tensile deformation. The propagation of vibrational energy and its effect on atomic arrangement inside models were revealed. The annihilation characteristics of dislocations to overcome short-range and long-range obstacles were distinguished. The results show that the proportion of Shockley partial dislocation transformed into stair-rod dislocation is reduced by 14% with superimposed vibration. The vibrational energy activates the atomic rotation near grain boundaries, reduces the order of atoms by 47%, and improves the coordination deformation ability of the grain boundaries. Furthermore, the influence of vibration field on the dislocation annihilation was quantified, and a vibration softening stress prediction model was established.</p>

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Atomic-scale insights into dislocation-induced vibrational softening mechanisms: molecular dynamics simulations and modeling

  • 期刊论文

  • 发表日期：

    2025年10月14日

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  • Han Sun,
  • Wen Zhang,
  • Qi Li,
  • Xincun Zhuang,
  • Zhen Zhao

摘要

Dislocation dynamics during vibration-assisted deformation is difficult to trace by traditional experimental methods. In this paper, the molecular dynamics simulations were designed to describe the transient responses of substructures during vibration-assisted tensile deformation. The propagation of vibrational energy and its effect on atomic arrangement inside models were revealed. The annihilation characteristics of dislocations to overcome short-range and long-range obstacles were distinguished. The results show that the proportion of Shockley partial dislocation transformed into stair-rod dislocation is reduced by 14% with superimposed vibration. The vibrational energy activates the atomic rotation near grain boundaries, reduces the order of atoms by 47%, and improves the coordination deformation ability of the grain boundaries. Furthermore, the influence of vibration field on the dislocation annihilation was quantified, and a vibration softening stress prediction model was established.