Molecular simulation on cement-based materials : from theory to application / Dongshuai Hou.
Hou, Dongshuai.
2020
TA434
Available Online

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Title Molecular simulation on cement-based materials : from theory to application / Dongshuai Hou.
Author Hou, Dongshuai.
ISBN 9789811387111 (electronic book)
9811387117 (electronic book)
9789811387104
DOI https://doi.org/10.1007/978-981-13-8711-1
Published Singapore : Springer, 2020.
Language English
Description 1 online resource (xii, 197 pages) : illustrations
Item Number 10.1007/978-981-13-8
10.1007/978-981-13-8711-1 doi
Call Number TA434
Dewey Decimal Classification 620.1/35
620.11
Summary 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.
Bibliography, etc. Note Includes bibliographical references.
Access Note Access limited to authorized users.
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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.

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