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

✍ Scribed by Dongshuai Hou

• Publisher: Springer Singapore
• Year: 2020
• Tongue: English
• Leaves: 205
• Edition: 1st ed. 2020
• Category: Library

✦ Synopsis

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.

✦ Table of Contents

Front Matter ....Pages i-xii
Background and Objectives (Dongshuai Hou)....Pages 1-5
Introduction to Modeling of Cement Hydrate at Nanoscale (Dongshuai Hou)....Pages 7-33
Introduction to Simulation Techniques on the Cement-Based Materials (Dongshuai Hou)....Pages 35-54
Modeling the Calcium Silicate Hydrate by Molecular Simulation (Dongshuai Hou)....Pages 55-86
Molecular Simulation of Water and Ions Migration in the Nanometer Channel of Calcium Silicate Phase (Dongshuai Hou)....Pages 87-130
Models for the Cross-Linked Calcium Aluminate Silicate Hydrate (C–A–S–H) Gel (Dongshuai Hou)....Pages 131-157
Molecular Dynamics Study on Cement–Graphene Nanocomposite (Dongshuai Hou)....Pages 159-185
The Future and Development Trends of Computational Chemistry Applied in Concrete Science (Dongshuai Hou)....Pages 187-197

✦ Subjects

Materials Science; Structural Materials; Nanotechnology; Building Materials; Theoretical and Computational Chemistry; Ceramics, Glass, Composites, Natural Materials