Multi-scale Approach from Atomistic to Macro for Simulation of the Elastic Properties of Cement Paste

被引：0
作者：
Davoud Tavakoli
Peng Gao
Amir Tarighat
Guang Ye
机构：
[1] Delft University of Technology,Section Materials and Environment, Faculty of Civil Engineering and Geosciences
[2] Shahid Rajaee Teacher Training University,Department of Civil Engineering
[3] Lavizan,School of Materials Science and Engineering
[4] South China University of Technology,undefined
来源：
Iranian Journal of Science and Technology, Transactions of Civil Engineering | 2020年 / 44卷
关键词：
Molecular dynamics; HYMOSTRUC3D; Cement paste; Lattice model; Elastic properties;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
In this study, first of all, the atomistic structure of cement hydration products is estimated via molecular dynamics method and their elastic properties are extracted. Then, cement hydration simulation is done by HYMOSTRUC3D model and the obtained results from both molecular dynamics and HYMOSTRUC3D methods are used for simulation in macro-scales through analytic and lattice methods. Finally, elastic properties of cement paste are estimated with two mentioned methods and compared with each other and also with literature. The study, in fact, aims to investigate an appropriate multi-scale simulation model to examine cement paste elastic properties.
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页码：861 / 873
页数：12
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