Molecular dynamics simulation of porous titanium structures under shock response

XH Sun and WJ Liu and XF Yu and HY Bian and YF Sun, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 33, 055004 (2025).

DOI: 10.1088/1361-651X/ade175

This study utilized molecular dynamics simulation to delve deeply into the response mechanisms of porous titanium structures with varying geometries-spherical, horizontal ellipsoidal, and vertical ellipsoidal- under multi-intensity shock loading. Our findings uncover the atomic strain mechanisms and dislocation dynamics within these structures, shedding new light on the collapse behavior of pores and the subsequent deformation processes. We demonstrate that the influence of pore structure on atomic strain diminishes with increasing impact intensity, with horizontal ellipsoidal pores show the most significant effects at high impact strengths, while vertical ellipsoidal pores exhibiting the highest stress concentrations at low impact strengths. The collapse of pores is mainly attributed to atomic slippage caused by shearing stress. The resolved shear stress confirm that the impact angle strongly influences the symmetry feature of surface morphology during void collapse. Post-impact relaxation leads to spalling phenomena, with greater impact intensity correlating with more pronounced spalling and heat loss, particularly in structures with horizontal ellipsoidal pores. This work advances the fundamental understanding of porous titanium's behavior under extreme conditions. Our results highlight the pivotal role of pore structure in determining the material's response to impact.

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