Automated Author Profile

Xu, Xinhang

School of Resources and Safety Engineering, Central South University, Changsha 410083, China

Current S-Index

4.8

Sum of Dataset Indices for all datasets

Average Dataset Index per Dataset

2.4

Average Dataset Index per dataset

Total Datasets

2

Total datasets for this author

Average FAIR Score

82.7%

Average FAIR Score per dataset

Total Citations

2

Total citations to the author's datasets

Total Mentions

0

Total mentions of the author's datasets

S-Index Interpretation

S-Index Over Time

Cumulative Citations Over Time

Cumulative Mentions Over Time

Datasets

The initial stages of cement hydration at the molecular level

Cement hydration is crucial for the strength development of cement-based materials; however, the mechanism that underlies this complex reaction remains poorly understood at the molecular level. An in-depth understanding of cement hydration is required for the development of environmentally friendly cement and consequently the reduction of carbon emissions in the cement industry. Here, we use molecular dynamics simulations with a reactive force field to investigate the initial hydration processes of tricalcium silicate (C₃S) and dicalcium silicate (C₂S) up to 40 ns. Our simulations provide theoretical support for the rapid initial hydration of C₃S compared to C₂S at the molecular level. The dissolution pathways of calcium ions in C₃S and C₂S are revealed, showing that, two dissolution processes are required for the complete dissolution of calcium ions in C₃S. Our findings promote the understanding of the calcium dissolution stage and serve as a valuable reference for the investigation of the initial cement hydration.

Authors

  • Xu, Xinhang ;
  • Qi, Chongchong ;
  • Aretxabaleta, Xabier M. ;
  • Ma, Chundi ;
  • Spagnoli, Dino ;
  • Manzano, Hegoi
1 Citation0 Mentions88% FAIR2.5 Dataset Index
10.24435/materialscloud:sj-dbMarch 2024

The initial stages of cement hydration at the molecular level

Cement hydration is crucial for the strength development of cement-based materials; however, the mechanism that underlies this complex reaction remains poorly understood at the molecular level. An in-depth understanding of cement hydration is required for the development of environmentally friendly cement and consequently the reduction of carbon emissions in the cement industry. Here, we use molecular dynamics simulations with a reactive force field to investigate the initial hydration processes of tricalcium silicate (C₃S) and dicalcium silicate (C₂S) up to 40 ns. Our simulations provide theoretical support for the rapid initial hydration of C₃S compared to C₂S at the molecular level. The dissolution pathways of calcium ions in C₃S and C₂S are revealed, showing that, two dissolution processes are required for the complete dissolution of calcium ions in C₃S. Our findings promote the understanding of the calcium dissolution stage and serve as a valuable reference for the investigation of the initial cement hydration.

Authors

  • Xu, Xinhang ;
  • Qi, Chongchong ;
  • Aretxabaleta, Xabier M. ;
  • Ma, Chundi ;
  • Spagnoli, Dino ;
  • Manzano, Hegoi
1 Citation0 Mentions77% FAIR2.2 Dataset Index
10.24435/materialscloud:ff-c1March 2024