Comparison of computational water models for simulation of calcium-silicate-hydrate

Computational Materials Science

Volumn 53, Issue 1, 2012, Pages 234-240

  Ji, Qing ^a   Pellenq, Roland J M ^a,b   Van Vliet, Krystyn J ^a  

^a Massachusetts Institute of Technology   (United States)

^b CNRS   (France)

Author keywords

C S H; Cement; Simulation; Water model

Indexed keywords

C-S-H; CALCIUM SILICATE HYDRATE; COMPUTATIONAL MODEL; COMPUTATIONAL MODELING; FORCE FIELDS; HYDRATION PRODUCTS; INTERATOMIC POTENTIAL; MOLECULAR MODELS; MOLECULAR SIMULATIONS; QUANTITATIVE COMPARISON; RELATIVE MOTION; SIMULATION; SINGLE POINT; STRUCTURE AND PROPERTIES; WATER MODEL; WATER MODELS; WATER MOLECULE;

CALCIUM SILICATE; CEMENTS; COMPUTER SIMULATION; HYDRATES; HYDRATION; MOLECULES; PORTLAND CEMENT; SILICATE MINERALS;

C (PROGRAMMING LANGUAGE);

EID: 80054764823     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.08.024     Document Type: Article

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