A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale

Chen, Jiayi; Martin, Pablo; Xu, Zhengguo; Manzano, Hegoi; Dolado, Jorge S.; Ye, Guang

doi:10.1016/j.cemconres.2021.106377

Cited by 8 publications

(3 citation statements)

References 45 publications

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“…From the point of view of the simulation method, the simulation based on computational fluid dynamics (CFD) is one of the more dominant methods at present [17]. In recent years, emerging computational methods such as LBM [18] and SPH [19] have also been gradually applied to the process of numerical simulation of concrete flow, however these two simulation methods are not mature enough as of right now, and are still in the development stage.…”

Section: Introductionmentioning

confidence: 99%

Study on the Characteristics of Circumferential and Longitudinal Flow of Vault Concrete during Tunnel Lining Pouring Processes

Yang,

Wu,

Zhou

2024

Materials

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With a large number of railroad and highway tunnels opening for operation, the diseases caused by hidden lining defects are increasing. The study of flow characteristics of freshly mixed concrete during tunnel lining casting is the key to revealing the formation mechanism of hidden defects. This paper revealed the location of blank lining formation by investigating the circumferential and longitudinal flow characteristics of concrete in the vault during tunnel pouring to provide suggestions for improving the quality of tunnel lining pouring for the various projects. This paper adopted the method of indoor testing, selected the suitable working conditions and flow parameters, validated the accuracy of the test with a numerical simulation, and simulated the secondary lining pouring process of the tunnel arch from the circumferential direction and longitudinal direction. This revealed the flow characteristics of the freshly mixed concrete in the process of pouring the arch lining. The flow of concrete in the arch lining was basically characterized by two major features which were similar to the flow in the pumping pipe and the layered flow. It also revealed the relationship between the concrete flow rate, flow distance, and the location of the formation of the blank lining risk zone with the slump of the concrete, the pumping pressure, and the radius of the tunnel.

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Section: Introductionmentioning

confidence: 99%

Study on the Characteristics of Circumferential and Longitudinal Flow of Vault Concrete during Tunnel Lining Pouring Processes

Yang,

Wu,

Zhou

2024

Materials

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“…While, due to the limitation of timescale, the conventional molecular dynamics simulations discussed here cannot describe the whole hydration process. By leveraging transition state theory and bypassing fast dynamic events occurring within the same metabasin in the energy landscape, the kinetic Monte Carlo (KMC) can predict the evolution of a surface for longer hydration times [102]. However, such method could not elucidate the entire dynamical evolution of the system because only specific events (i.e., jumps over energy barriers) are considered.…”

Section: Long-term Hydration Process: Limitation Of Conventional Mole...mentioning

confidence: 99%

Molecular modelling of cementitious materials: current progress and benefits

et al. 2023

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Developing new sustainable concrete technology has become an urgent need, requiring faster and deeper insights into the fundamental mechanisms driving the cement hydration reactions. Molecular simulations have the potential to provide such understanding since the hydration reaction and the cement chemistry are particularly dominated by mechanisms at the atomic scale. In this letter, we review the application of two major approaches namely classical (including reactive) molecular dynamics simulations and density function theory calculations of cementitious materials. We give an overview of molecular simulations involving the major mineral and hydrate phases.

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“…7b) [134,135]. In a more recent study, the dissolution of alite under different hydrodynamic conditions was considered employing the same KMC coupled with Lattice Boltzmann models to simulate a fluid flow and the transport of ions [136]. Moreover, off-lattice KMC simulations predicted the effect of screw dislocations on the mechanisms and rates of dissolution C 3 S [137].…”

Section: Limitations and Perspectivesmentioning

confidence: 99%

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

Claverie

Wang

Kamali-Bernard

et al. 2022

Cement and Concrete Research

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A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale

Cited by 8 publications

References 45 publications

Study on the Characteristics of Circumferential and Longitudinal Flow of Vault Concrete during Tunnel Lining Pouring Processes

Study on the Characteristics of Circumferential and Longitudinal Flow of Vault Concrete during Tunnel Lining Pouring Processes

Molecular modelling of cementitious materials: current progress and benefits

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

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