Scaling Effect on Mechanical Property of Calcium Silicate Hydrate in Cement Using Reactive Molecular Dynamics
| العنوان: | Scaling Effect on Mechanical Property of Calcium Silicate Hydrate in Cement Using Reactive Molecular Dynamics |
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| المؤلفون: | Cao, Jie, Wang, Chao, 1991, Gonzalez-Libreros, Jaime, Tu, Yongming, Elfgren, Lennart, Senior Professor, 1942, Sas, Gabriel |
| المصدر: | The 1st International Conference on Net-Zero Built Environment Lecture Notes in Civil Engineering. :293-302 |
| مصطلحات موضوعية: | Scaling effect, Molecular dynamics, Calcium silicate hydrate, Mechanical property, Byggkonstruktion, Structural Engineering |
| الوصف: | Molecular dynamics simulations have been increasingly employed to investigate the mechanical properties of cement hydrates at the nanoscale. This technique deepens the understanding of cement-based materials, yet correlating these nanoscale findings with larger scale experiments remains a challenge, particularly due to scaling effects. This study focuses on the scaling impact on calcium silicate hydrate (C-S-H). Two types of C-S-H models were constructed: one with defective silicate chains and the other without. Each model includes three sub-models of varying sizes. Under uniaxial tension along silicon chain direction, the stress and strain responses were recorded. The results show that at the nanoscale, model correction such as silicon chain breakage has a greater impact on the elastic modulus and tensile strength than model size. Additionally, the stress–strain curve obtained during the tension process needs to be corrected before comparison with stress–strain on other scales. The findings provide crucial insights into the mechanical behavior of C-S-H at the nanoscale and offer a theoretical basis for bridging the gap between nanoscale simulations and larger scale experimental results. |
| وصف الملف: | electronic |
| URL الوصول: | https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-111542 https://doi.org/10.1007/978-3-031-69626-8_25 https://ltu.diva-portal.org/smash/get/diva2:1934918/FULLTEXT01.pdf |
| قاعدة البيانات: | SwePub |
| تدمد: | 23662557 23662565 |
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| DOI: | 10.1007/978-3-031-69626-8_25 |