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Molecular Simulation on Cement-Based Materials [electronic resource] : From Theory to Application / by Dongshuai Hou.

By: Hou, Dongshuai [author.].
Contributor(s): SpringerLink (Online service).
Material type: materialTypeLabelBookPublisher: Singapore : Springer Nature Singapore : Imprint: Springer, 2020Edition: 1st ed. 2020.Description: XII, 197 p. 121 illus., 105 illus. in color. online resource.Content type: text Media type: computer Carrier type: online resourceISBN: 9789811387111.Subject(s): Building materials | Nanotechnology | Chemistry, Physical and theoretical | Ceramic materials | Structural Materials | Nanotechnology | Building Materials | Theoretical Chemistry | CeramicsAdditional physical formats: Printed edition:: No title; Printed edition:: No title; Printed edition:: No titleDDC classification: 620.1 Online resources: Click here to access online
Contents:
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 . .
In: Springer Nature eBookSummary: 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.
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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 . .

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.

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