Molecular dynamics simulations reveal unique dual-spallation in single crystals, suggesting new strategies for impact-resistant material design.
The spall failure in shock‐loaded perfect single crystals reveals significant orientation dependent characteristics, yet the fundamental relationship between shock wave propagation anisotropy and fracture mechanisms remains unclear. Employing large‐scale molecular dynamics simulations, a novel dual‐spallation phenomenon governed by anisotropic elastic–plastic wave separation is discovered. Crystal orientations exhibiting stronger wave separation (e.g., [111]) demonstrate a characteristic two‐stage spallation pattern, contrasting sharply with the conventional single‐spallation behavior observed in orientations like [100]. Systematic analysis through quantitative void distribution statistics, fracture surface energy evaluation, and modified Nucleation and Growth (MNAG) model reveals that this wave‐mediated mechanism improves damage resistance through two synergistic effects: attenuation of rarefaction wave interaction and suppression of catastrophic void coalescence. The findings establish stress wave engineering via crystalline orientation control as a vital strategy for developing next‐generation impact‐resistant materials, providing both fundamental insights into dynamic fracture physics and practical guidelines for material design.
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Zhu et al. (2025) studied this question.
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