Molecular dynamics-informed material point method for hypervelocity impact analysis

• Published in: International journal of impact engineering 2025-01, Vol.195, p.105124, Article 105124
• Main Authors: Kim, Seongik, Jang, Yesol, Kim, YunHo, Kim, Byeong-Joo, Yun, Gun Jin
• Format: Article
• Language: English
• Subjects: Hypervelocity Impact; Material point method; Mie-Grüneisen EOS; Molecular dynamics; Multiscale shock technique
• ISSN: 0734-743X
• DOI: 10.1016/j.ijimpeng.2024.105124

•A molecular dynamics-informed material point method was developed to analyze material behavior under hypervelocity impact.•The Mie-Grüneisen equation of state (EOS) was derived from molecular dynamics, which can accurately model material states under extreme impact loading conditions and linked to the material point method (MPM).•The MD-informed multiscale shock analysis can significantly enhance material's impact behavior accuracy, compared with experiments and other existing EOS. This paper introduces a framework specifically designed to simulate hypervelocity impact scenarios precisely. The framework utilizes the multiscale shock technique (MSST) from molecular dynamics (MD) to accurately model material states under extreme impact loading conditions, focusing on calculating the equation of state (EOS). A vital aspect of this work is the acquisition and application of the Mie-Grüneisen EOS, which is highly relevant in impact analysis research. The framework employs the material point method (MPM) to conduct analyses of hypervelocity impacts using the derived EOS. This method offers a detailed insight into the dynamic responses of materials subjected to hypervelocity impacts, underscoring the integration of molecular dynamics with the MPM.