title: Nano- and mesoscale modeling of cement matrix.
abstract: Atomistic simulations of cementitious material can enrich our understanding of its structural and mechanical properties, whereas current computational capacities restrict the investigation length scale within 10 nm. In this context, coarse-grained simulations can translate the information from nanoscale to mesoscale, thus bridging the multi-scale investigations. Here, we develop a coarse-grained model of cement matrix using the concept of disk-like building block. The objective is to introduce a new method to construct a coarse-grained model of cement, which could contribute to the scale-bridging issue from nanoscale to mesoscale. PAC codes: 07.05.Tp, 62.25.-g, 82.70.Dd.
authors.affiliation: Department of Architecture and Civil Engineering, City University of Hong Kong, Hong Kong, China.
authors.forename: Zechuan
authors.initials: Z
authors.lastname: Yu
authors.affiliation: Department of Architecture and Civil Engineering, City University of Hong Kong, Hong Kong, China ; Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 USA.
authors.forename: Denvid
authors.initials: D
authors.lastname: Lau
keywords: Building block; Cement matrix; Coarse-grained simulation; GB potential