Shock-induced reactive molecular dynamics simulation in sodium aluminosilicate hydrate: Wave propagation, mechanical response, and structural deformation
Source abstract
Abstract
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.
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Research context
OpenAlex topics: High-pressure geophysics and materials · Planetary Science and Exploration · Clay minerals and soil interactions
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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