Shock-induced reactive molecular dynamics simulation in sodium aluminosilicate hydrate: Wave propagation, mechanical response, and structural deformation

التفاصيل البيبلوغرافية
العنوان: Shock-induced reactive molecular dynamics simulation in sodium aluminosilicate hydrate: Wave propagation, mechanical response, and structural deformation
المؤلفون: Tu, Yongming, Fang, MengXiang, Guo, Tong, Wang, Tongfang, Yuan, Lei, Shi, Pan, Sas, Gabriel, Elfgren, Lennart, Senior Professor, 1942
المصدر: Journal of Non-Crystalline Solids. 612
مصطلحات موضوعية: Mechanical response, Molecular dynamics (MD), Sodium aluminosilicate hydrate (N-A-S-H), Structural deformation, Wave propagation, Byggkonstruktion, Structural Engineering
الوصف: Sodium aluminosilicate hydrate (N-A-S-H) gels have gained attention due to their potential use as components of geopolymers to improve structural and mechanical properties. In this study, we investigated the propagation of shock waves in N-A-S-H gels subjected to impact velocities (Up) ranging from 0.1 to 3.0 km/s, as well as the resulting mechanical responses and structural deformations. Our results showed that when Up<0.4 km/s, only one elastic wave existed, and the Hugoniot elastic limit was estimated to be 4.1 GPa. Above this limit, a two-wave structure formed. The elastic and elastoplastic deformation mechanisms involved initial compaction and densification of the N-A-S-H gel structure, followed by bond angle bending. The Hugoniot Us-Up relationship was found to be linear in the elastoplastic region, with a linear parameter λ of approximately 2.75. These new atomistic insights into the shock compression of N-A-S-H gels will provide valuable guidance for future studies.
وصف الملف: print
الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-97046Test
قاعدة البيانات: SwePub
الوصف
تدمد:00223093
18734812
DOI:10.1016/j.jnoncrysol.2023.122350