Assessment of the reactivity and hydration of Portland cement clinker phases from atomistic simulation: A critical review

Autor: Jérôme Claverie, Qianqian Wang, Siham Kamali-Bernard, Fabrice Bernard
Přispěvatelé: Institut de Recherche en Génie Civil et Mécanique (GeM), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-École Centrale de Nantes (ECN)-Centre National de la Recherche Scientifique (CNRS), Nanjing Tech University, Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA), Laboratoire de Génie Civil et Génie Mécanique (LGCGM), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), National Natural Science Foundation of China, NSFC: 52072171
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Cement and Concrete Research
Cement and Concrete Research, 2022, 154, pp.106711. ⟨10.1016/j.cemconres.2022.106711⟩
ISSN: 0008-8846
DOI: 10.1016/j.cemconres.2022.106711⟩
Popis: International audience; Over the last decade, atomistic simulations were increasingly employed to describe cementitious materials properties. As a complement to experimental measurements, they have improved our understanding of anhydrous and hydrated phases. This article reviews most of the principal investigations based on density functional theory, molecular dynamics, and related methods to assess the reactivity and hydration of Portland cement clinker phases at the nanoscale. Finally, the limitations of these methods are discussed, and alternative approaches and challenges are introduced. © 2022 Elsevier Ltd
Databáze: OpenAIRE
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