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Shock-induced reactive molecular dynamics simulation in sodium aluminosilicate hydrate: Wave propagation, mechanical response, and structural deformation
Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Structural and Fire Engineering. Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, China.ORCID iD: 0000-0002-8372-1967
Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, China.
Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, China.
Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, China.
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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)

Available from: 2023-05-09 Created: 2023-05-09 Last updated: 2024-03-07Bibliographically approved

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Tu, YongmingSas, GabrielElfgren, Lennart

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