Hou D. Molecular Simulation on Cement-Based Materials: From Theory to Application

Springer, 2020. — 205 p. — ISBN: 9811387109.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 Nanoscale
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