Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis
Abstract Understanding defects and influence of dislocations on dicalcium silicates (Ca2SiO4) is a challenge in cement science. We report a high-resolution transmission electron microscopy image of edge dislocations in Ca2SiO4, followed by developing a deep atomic understanding of the edge dislocation-mediated properties of five Ca2SiO4 polymorphs. By decoding the interplay between core dislocation energies, core structures, and nucleation rate of reactivity, we find that γ-C2S and α-C2S polymorphs are the most favorable polymorphs for dislocations in Ca2SiO4, mainly due to their large pore channels which take away majority of the distortions imposed by edge dislocations. Furthermore, in the context of edge dislocation, while α-C2S represents the most active polymorph for reactivity and crystal growth, β-C2S represents the most brittle polymorph suitable for grinding. This work is the first report on the atomistic-scale analysis of edge dislocation-mediated properties of Ca2SiO4 and may open up new opportunities for tuning fracture and reactivity processes of Ca2SiO4 and other cement components.
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Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis
Abstract Understanding defects and influence of dislocations on dicalcium silicates (Ca2SiO4) is a challenge in cement science. We report a high-resolution transmission electron microscopy image of edge dislocations in Ca2SiO4, followed by developing a deep atomic understanding of the edge dislocation-mediated properties of five Ca2SiO4 polymorphs. By decoding the interplay between core dislocation energies, core structures, and nucleation rate of reactivity, we find that γ-C2S and α-C2S polymorphs are the most favorable polymorphs for dislocations in Ca2SiO4, mainly due to their large pore channels which take away majority of the distortions imposed by edge dislocations. Furthermore, in the context of edge dislocation, while α-C2S represents the most active polymorph for reactivity and crystal growth, β-C2S represents the most brittle polymorph suitable for grinding. This work is the first report on the atomistic-scale analysis of edge dislocation-mediated properties of Ca2SiO4 and may open up new opportunities for tuning fracture and reactivity processes of Ca2SiO4 and other cement components.
Graphical abstract Display Omitted
Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis
Shahsavari, Rouzbeh (Autor:in) / Chen, Lu (Autor:in) / Tao, Lei (Autor:in)
Cement and Concrete Research ; 90 ; 80-88
14.09.2016
9 pages
Aufsatz (Zeitschrift)
Elektronische Ressource
Englisch
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