Advances in atomistic modeling and understanding of drying shrinkage in cementitious materials

Despite more than a century of research, drying shrinkage still causes unwanted stresses and cracks in our concrete infrastructures. This is partly due to the lack of understanding of the underlying mechanisms governing the drying shrinkage in cementitious materials. Inspired by the tremendous impac...

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Bibliographic Details
Published in:	Cement and concrete research Vol. 148; p. 106536
Main Authors:	Abdolhosseini Qomi, Mohammad Javad, Brochard, Laurent, Honorio, Tulio, Maruyama, Ippei, Vandamme, Matthieu
Format:	Journal Article
Language:	English
Published:	Elmsford Elsevier Ltd 01.10.2021 Elsevier BV Elsevier
Subjects:	Adsorption ATOMIC FORCE MICROSCOPY C-S-H Civil Engineering CONCRETES Confined fluids DRYING Drying shrinkage Engineering Sciences Manufactured products Materials MATERIALS SCIENCE Mechanics Molecular simulations NANOSTRUCTURES Physics SHRINKAGE SIMULATION STRESSES Temperature BJH C-S-H C3S XANES SPC CPU XRD NVT PBC DFT MC TIP (TIP3P, TIP4P, TIP4P05, TIP5P) MD M-S-H C4AF 1H NMR XCSH CBMC TGA Adsorption ASTM SANS RH SEM Confined fluids PFCR SRA MRI SPC/E ENS C-(N)-A-S-H GCMC NPT PDF RDF Drying shrinkage ASR SSA DLVO C2S AFm PMF PN-TrAZ IUPAC NsμadPT SAXS BET C3A FEP μVT CTE LD LG HD NVE QENS TEM HG Molecular simulations
ISSN:	0008-8846, 1873-3948
Online Access:	Get full text
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Summary:	Despite more than a century of research, drying shrinkage still causes unwanted stresses and cracks in our concrete infrastructures. This is partly due to the lack of understanding of the underlying mechanisms governing the drying shrinkage in cementitious materials. Inspired by the tremendous impact of atomistic simulations on materials science, we expect such innovative simulation techniques to hold a key to unlocking the enigmatic nature of drying shrinkage at the nanoscale. In this treatise, we first introduce basic physics concepts and atomistic simulation methods in detail. Afterward, we discuss the progress brought by atomistic simulations in understanding the drying shrinkage in cementitious materials and other nanoporous and nanolayered systems. This review also highlights important remaining fundamental questions and practical issues regarding drying shrinkage and delineates how atomistic simulations can help resolve them.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14
ISSN:	0008-8846 1873-3948
DOI:	10.1016/j.cemconres.2021.106536