ReviewNanomaterials (Basel, Switzerland)2020
Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites-A Review.
Review in Nanomaterials (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 103 citations in OpenAlex.
- Effect of Relative Humidity on the Crack-Bridging Mechanism of CNTs at the CNT/C-S-H Interface.ACS omega · 2026Article
- Molecular Dynamics Simulations of γ-Belite(010)-Water Interfaces With High-Dimensional Neural Network Potentials.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- The Investigation of Interlayer Water on the Drying Deformation of C-S-H: An ANN-Assisted MD Simulation Approach.ACS omega · 2025Article
- Study on the Mechanism of Mechanical Properties and Wind Leakage Sealing Effect of KH570-Enhanced VAE/Cement Materials.Materials (Basel, Switzerland) · 2025Article
- Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread-Polymer and Cement-Boron Nitride Nanotube Composites.Molecules (Basel, Switzerland) · 2024Article
- Effects of Multi-Walled Carbon Nanotube Dosages and Sonication Time on Hydration Heat Evolution in Cementitious Composites.Materials (Basel, Switzerland) · 2023Article
- Nanoindentation Study of Calcium-Silicate-Hydrate Gel via Molecular Dynamics Simulations.Nanomaterials (Basel, Switzerland) · 2023Article
- The Effects of the Addition of Polyurethane-MgO Nanohybrids on the Mechanical Properties of Ordinary Portland Cement Paste.Nanomaterials (Basel, Switzerland) · 2022Article
- Adhesion and Cohesion of Silica Surfaces with Quartz Cement: A Molecular Simulations Study.ACS omega · 2022Article
- Nano-Silica-Modified Concrete: A Bibliographic Analysis and Comprehensive Review of Material Properties.Nanomaterials (Basel, Switzerland) · 2022Review
- Nanomodification of Lightweight Fiber Reinforced Concrete with Micro Silica and Its Influence on the Constructive Quality Coefficient.Materials (Basel, Switzerland) · 2021Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
With the continuous research efforts, sophisticated predictive molecular dynamics (MD) models for C-S-H have been developed, and the application of MD simulation has been expanded from fundamental understanding of C-S-H to nano-engineered cement composites. This paper comprehensively reviewed the current state of MD simulation on calcium-silicate-hydrate (C-S-H) and its diverse applications to nano-engineered cement composites, including carbon-based nanomaterials (i.e., carbon nanotube, graphene, graphene oxide), reinforced cement, cement-polymer nanocomposites (with an application on 3D printing concrete), and chemical additives for improving environmental resistance. In conclusion, the MD method could not only compute but also visualize the nanoscale behaviors of cement hydrates and other ingredients in the cement matrix; thus, fundamental properties of C-S-H structure and its interaction with nanoparticles can be well understood. As a result, the MD enabled us to identify and evaluate the performance of new advanced nano-engineered cement composites.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.