Influence Mechanism of the Interfacial Water Content on Adhesive Behavior in Calcium Silicate Hydrate−Silicon Dioxide Systems: Molecular Dynamics Simulations
Round 1
Reviewer 1 Report
The topic presented in the paper is interesting. However, there are some points need to be considered to improve the paper, i.e.:
1. The comparison with the results of other similar researches may be added, especially related to the mechanical properties of ITZ.
2. Will the age of cement paste/gel affect the results? What age of the cement paste/gel is assumed in the study presented in this paper. What about the porosity?
3. Based on this study, how you can improve the ITZ? What will be the parameters that can characterize the ITZ?
4. Is there any effect on the use of pozzolanic materials to the ITZ? If yes, how it affects the ITZ?
1. Some abbreviations in the paper should be defined when they are first mentioned.
2. Please avoid the use of conjunctions in the beginning of sentences.
Author Response
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Author Response File: 
Author Response.pdf
Reviewer 2 Report
Please provide the optimal distance H2O from the CSH/SiO2 units. Four distance cases (0Å, 1Å, 3Å and 5Å) were examined, informing only about the decrease in binding forces, and what was the percentage use of water particles in the CSH binding process. Please clarify my doubts and include them in the text of the article.The text needs to be organized.
Author Response
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Author Response File: Author Response.pdf
Reviewer 3 Report
1. The working title should be changed with a mention of the use of simulation work.
2. Why the authors have not performed any physical experiments? Without this, the validation of the simulation results is difficult to accept.
3. What was the concrete mixture detail that has been simulated in the work?
4. Other than the variables and parameters influencing the strength index of the concrete in the hardened state? Why none of them have been mentioned and discussed?
5. Kindly specify the target strength of the mixture prepared/ modeled and how the same has been affected by the changing values of the water content in the mixture.
6. What is the overall significance of the bond strength in the transition zones of paste and aggregates of the presented work pertaining to the actual response by the material in physical existence?
7. Kindly confirm the response from the samples prepared in the actual form of the materials and examined and evaluated by means of the micro-structural study methods namely SEM, FTIR, or similar.
8. Unless a simulation is compared with the actual work on the physical samples, it is difficult for the readers to follow the ways and methods of evaluation proposed in the article.
7.
No comments
Author Response
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Author Response File: Author Response.pdf
Round 2
Reviewer 1 Report
Most of the comments have been responded well by the authors. The only remaining issue is the responds to comment No.1. The authors cannot just compare the results of their study qualitatively. They have to compare it quantitatively. For example, the results of their study shown in Figure 8 should be compared with the results of other similar studies. This is a kind of validation to the results obtained in their study (Please note that the tensile stress shown in Figure 8 is considered very high).
Author Response
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Author Response File: Author Response.pdf
Reviewer 2 Report
Thank you for clarifying my doubts.
Minor linguistic correction required.
Author Response
Linguistic correction has been done， please check the manuscript.
Reviewer 3 Report
Authors have revised the manuscript appropriately.
Author Response
Thank you for your review.
