1.

Record Nr.

UNINA9910366599303321

Autore

Hou Dongshuai

Titolo

Molecular Simulation on Cement-Based Materials : From Theory to Application / / by Dongshuai Hou

Pubbl/distr/stampa

Singapore : , : Springer Singapore : , : Imprint : Springer, , 2020

ISBN

981-13-8711-7

Edizione

[1st ed. 2020.]

Descrizione fisica

1 online resource (XII, 197 p. 121 illus., 105 illus. in color.)

Disciplina

620.11

Soggetti

Building materials

Nanotechnology

Chemistry, Physical and theoretical

Ceramics

Glass

Composite materials

Structural Materials

Building Materials

Theoretical and Computational Chemistry

Ceramics, Glass, Composites, Natural Materials

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Nota di contenuto

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 . .

Sommario/riassunto

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.