This book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.
Background and objectives.- Introduction to modeling of cement hydrate
at nano-scale.- Introduction to simulation techniques on the cement-based
materials.- Modeling the calcium silicate Hydrate by molecular simulation.-
Molecular simulation of water and ions migration in the nanometer channel of
calcium silicate phase.- Models for the cross-linked calcium aluminate
silicate hydrate (C-A-S-H) gel.- Molecular dynamics study on cement-graphene
nanocomposite.- The future and development trends of computational chemistry
applied in concrete science .
Dongshuai Hou is a Professor at the Department of Civil Engineering, Qingdao University of Technology. He received his Doctor degree from Hong Kong University of Science and Technology in 2014. His research interests include the molecular structure and behavior of cement-hydrate; ab initio, molecular dynamics, and other computational chemistry methods; and multi-scale studies on concrete materials. To date, he has published more than 80 academic papers in the field of concrete material and computational chemistry.
