Shock-induced reactive molecular dynamics simulation in sodium aluminosilicate hydrate: Wave propagation, mechanical response, and structural deformationShow others and affiliations
2023 (English)In: Journal of Non-Crystalline Solids, ISSN 0022-3093, E-ISSN 1873-4812, Vol. 612, article id 122350Article in journal (Refereed) Published
Abstract [en]
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.
Place, publisher, year, edition, pages
Elsevier B.V. , 2023. Vol. 612, article id 122350
Keywords [en]
Mechanical response, Molecular dynamics (MD), Sodium aluminosilicate hydrate (N-A-S-H), Structural deformation, Wave propagation
National Category
Applied Mechanics
Research subject
Structural Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-97046DOI: 10.1016/j.jnoncrysol.2023.122350ISI: 000988584700001Scopus ID: 2-s2.0-85153061172OAI: oai:DiVA.org:ltu-97046DiVA, id: diva2:1755841
Note
Validerad;2023;Nivå 2;2023-05-09 (joosat);
Funder: National Natural Science Foundation of China (grant no. 51378104); Jiangsu Province (grant no. BZ2021011)
2023-05-092023-05-092024-03-07Bibliographically approved