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题名/责任者:

Molecular simulation on cement-based materials : from theory to application / Dongshuai Hou.

出版发行项:

Beijing : Science Press [2019]

ISBN:

9787030625908

载体形态项:

xii, 197 pages : illustrations (some color) ; 24 cm

个人责任者:

Hou, Dongshuai, author.

论题主题:

Cement-Simulation methods.

中图法分类号:

TB333.2

书目附注:

Includes bibliographical references.

内容附注:

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.

摘要附注:

"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."--Back Cover.

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