Molecular dynamics study on spallation in single-crystal and nanocrystalline tin

YANG Xin; ZHAO Han; GAO Xuejun; CHEN Zhenlin; WANG Fang; ZENG Xiangguo

doi:10.11883/bzycj-2022-0203

Volume 43 Issue 2

Feb. 2023

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YANG Xin, ZHAO Han, GAO Xuejun, CHEN Zhenlin, WANG Fang, ZENG Xiangguo. Molecular dynamics study on spallation in single-crystal and nanocrystalline tin[J]. Explosion And Shock Waves, 2023, 43(2): 023101. doi: 10.11883/bzycj-2022-0203

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YANG Xin, ZHAO Han, GAO Xuejun, CHEN Zhenlin, WANG Fang, ZENG Xiangguo. Molecular dynamics study on spallation in single-crystal and nanocrystalline tin[J]. Explosion And Shock Waves, 2023, 43(2): 023101. doi: 10.11883/bzycj-2022-0203

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Molecular dynamics study on spallation in single-crystal and nanocrystalline tin

doi: 10.11883/bzycj-2022-0203

1.
College of Environment and Civil Engineering, Chengdu University of Technology, Chengdu 610059, Sichuan, China
2.
Loboratory of Deep Underground Science and Engineering of Minitry of Education, College of Architecture and Environment, Sichuan University, Chengdu 610065, Sichuan, China
3.
School of Materials and Energy, Southwest University, Chongqing 400715, China

Received Date: 2022-05-12
Rev Recd Date: 2022-10-07

Available Online: 2022-10-13

Publish Date: 2023-02-25

Abstract

Abstract

One of the fundamental scientific problems of dynamic fracture of ductile metals is spallation of low melting point metals. The classical spallation and micro-spallation of single-crystal (SC) and nanocrystal (NC) tin were carried out using the non-equilibrium molecular dynamics (NEMD) at shock pressures of 13.5−61.0 GPa. In order to achieve the spallation in the SC and NC models, the piston-target method was utilized. Specifically, the rigid piston was assigned an initial velocity, then the piston impacted the target to generate stress wave, and the stress waveform was controlled by adjusting the loading time after the length of the model along the shock direction was determined. The simulation results show that: during the loading stage, the shock wave velocity has no influence on the waveform evolution of the SC Sn model, but it does have an effect on the waveform evolution of the NC Sn model, in which the front width of the stress wave in classical spallation of the NC Sn model is mainly affected by grain boundary sliding. The void nucleation sites in classical spallation and micro-spallation are found at high potential energies in the SC model. In the NC model, for the classic spallation, voids mostly nucleate at grain boundaries (including the triple junctions of the grain boundaries) and grow along grain boundaries, resulting in intergranular fractures; for the micro-spallation, voids nucleate at the grain boundary and inside the grain, resulting in intergranular fracture, intragranular fracture, and transgranular fracture. The void volume fraction increases exponentially, and the variation law of void volume fraction of SC and NC Sn is the same under the same impact velocity. The two turning points of the void volume fraction curve in classical spallation represent the transition from nucleation to growth and the catastrophic transition from damage to fracture.
- NEMD,
- single-crystal and nanocrystal tin,
- Stress wave evolution,
- fracture mode,
- void volume fraction

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References

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