Prediction of the mechanical properties of the major constituent phases of cementitious systems by atomistic simulations

Title: Prediction of the mechanical properties of the major constituent phases of cementitious systems by atomistic simulations
Author(s): H. Manzano, J.S. Dolado, A. Ayuela
Paper category : conference
Book title: International RILEM Symposium on Concrete Modelling - ConMod '08
Editor(s): E. Schlangen and G. De Schutter
Print-ISBN: 978-2-35158-060-8
e-ISBN: 978-2-35158-076-9
Publisher: RILEM Publications SARL
Publication year: 2008
Pages: 47 - 55
Total Pages: 9
Nb references: 34
Language: English

Abstract: Any attempt to numerically predict the mechanical performance of cementitious materials requires at certain point the knowledge of the intrinsic mechanical properties of the phases involved. Until recently there were not suitable simulation schemes to numerically calculate these "nano" mechanical properties, so they have been commonly obtained by experimental procedures (mainly through nanoindentation measurements). In this work we present an atomistic simulation scheme which accurately reproduces the intrinsic mechanical properties of the mayor constituent phases (either hydrated or not) present in cementitious systems.

Online publication: 2009-06-15
Publication type : full_text
Public price (Euros): 0.00