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

Tavakoli, D.; Gao, P.; Tarighat, Amir; Ye, G.

doi:10.1007/s40996-019-00288-6

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

Title

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

Author

Tavakoli, D. (TU Delft Materials and Environment; Shahid Rajaee Teacher Training University)
Gao, P. (TU Delft Materials and Environment; South China University of Technology)
Tarighat, Amir (Shahid Rajaee Teacher Training University)
Ye, G. (TU Delft Materials and Environment)

Date

2020

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.

Subject

Cement paste
Elastic properties
HYMOSTRUC3D
Lattice model
Molecular dynamics

To reference this document use:

http://resolver.tudelft.nl/uuid:b0b749de-e008-4b7f-bb82-a2788bf90f0e

DOI

https://doi.org/10.1007/s40996-019-00288-6

Embargo date

2021-06-18

ISSN

2228-6160

Source

Iranian Journal of Science and Technology - Transactions of Civil Engineering, 44 (3), 861-873

Bibliographical note

Accepted Author Manuscript

Part of collection

Institutional Repository

Document type

journal article

Rights

Files

PDF

ISTC_D_18_00204_5_.pdf

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