1. New insights into the hardening mechanism of calcium silicate hydrates under creep deformation: A reactive molecular simulation study.
- Author
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Reguieg, Ouail, Bouibes, Amine, and Lacarrière, Laurie
- Subjects
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CALCIUM silicate hydrate , *CREEP (Materials) , *CALCIUM silicates , *SHEARING force , *IONIC bonds - Abstract
Understanding the time-dependent behaviour of calcium silicate hydrates (C-S-H) under stresses is crucial for unraveling the microscopic creep behavior of concrete and its consequences on the evolution of nanostructure of C-S-H. In this study, the structural evolution of C-S-H nanostructure under stress was investigated using reactive molecular dynamics and stress perturbation technique. Under sustained stress, C-S-H nanostructure undergoes a relaxation process leading to a creep deformation and transitioning the system towards a more energetically stable state. The process was comprehensively examined under shear stress through a detailed analysis of the system's potential energy. A hardening phenomenon was observed within calcium silicate layers throughout this relaxation process, categorizing in three distinct stages. in Stage I, structural reorganization occurred in the silicate chains, progressing towards a stable state by reducing non-bonded interactions. The calcium-oxygen ionic bonds within the intralayer were strengthened in Stage II, leading to a decrease in bonding energy. Finally, the interface between calcium silicate layers and the interlayer contributed to overall structural stability in StageIII. • A hardening phenomenon was observed in calcium silicate hydrates nanostructure within intralayers during creep deformation. • The microscopic mechanism underlying this hardening process was elucidated and categorized into three distinct stages. • Stage 1: Structural reorganization in silicate chains, progressing toward a stable state by reducing non-bonded interactions. • Stage 2: The ionic bonds between calcium and oxygen within the intralayer were reinforced. • Stage 3: The interface between calcium silicate layers and the interlayer contributed to the overall stability of C-S-H. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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