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Mesoscale modeling of cement matrix using the concept of building block

Published online by Cambridge University Press:  12 February 2015

Denvid Lau ,
Zechuan Yu  and
Oral Buyukozturk
Denvid Lau*
Affiliation:
Department of Architecture and Civil Engineering, City University of Hong Kong, Hong Kong. Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Zechuan Yu*
Affiliation:
Department of Architecture and Civil Engineering, City University of Hong Kong, Hong Kong.
Oral Buyukozturk
Affiliation:
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
*
*Email:[email protected]
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Abstract

Calcium silicate hydrate (C-S-H) gel is the cohesive phase in cement paste and critically controls the cement hydration. Atomistic models can reproduce reasonable structural and mechanical properties of C-S-H gel at the nano scale. However, the length and time scale of such all-atom modeling technique are restrained by limited computing power. Under this context, coarse-grained modeling technique emerges as a useful alternative for investigating cement paste at extended length and time scale. Here, we regard the building block of cement as ellipsoid and develop a coarse-grained model of cement matrix based on the Gay-Berne (GB) potential. Emphasis of the present paper is on the parameterization and interpretation of the GB potential formula.

Keywords

ceramicsimulationnanoscale
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1759: Symposium XX – Bridging Scales in Heterogeneous Materials , 2015 , mrsf14-1759-xx03-07
Copyright
Copyright © Materials Research Society 2015 

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References

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