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

Journal article (2020)

Authors

D. Tavakoli Shahid Rajaee Teacher Training University, Materials and Environment - CEG
P. Gao South China University of Technology, Materials and Environment - CEG
Amir Tarighat Shahid Rajaee Teacher Training University
G. (Guang) Ye Materials and Environment - CEG
Research Group
Materials and Environment (CEG) (TU Delft)
Copyright: © 2020 D. Tavakoli, P. Gao, Amir Tarighat, G. Ye
DOI: https://doi.org/10.1007/s40996-019-00288-6
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Published Date

2020

Language

English

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Faculty

Civil Engineering & Geosciences

Department

Materials- Mechanics- Management & Design

Research Group

Materials and Environment

Abstract

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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