Nanomodified Cement-Based Materials: Review (2015–2020) of Molecular Dynamics Studies
Publication: Journal of Materials in Civil Engineering
Volume 34, Issue 3
Abstract
The addition of nanomodifiers is an effective method to improve the performance of cementitious materials. However, the strengthening mechanism is still not fully understood. Molecular dynamics (MD) simulation is an effective research tool that makes it possible to understand the genome of cement-based materials and, thus, their interactions with nanomodifiers at the nanometer scale. Therefore, MD would serve as an aid to design composite materials toward improved performance, reduced material cost, and enhanced ecoefficiency. This article briefly overviews the progress in MD simulations of nanomodified cement-based materials over the past five years. It mainly includes the application of MD simulation methods in understanding the structure, properties, and microstructure evolution of C–S–H toughened by aluminum phase doping, graphene oxide, polymers, and new nanomaterials. In particular, the research on the ion curing ability and transmission properties of the toughened composite materials are reviewed. Challenges related to nanomodified concrete, as revealed by MD simulations, are also discussed.
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Data Availability Statement
No data, models, or code were generated or used during the study.
Acknowledgments
Financial support from the National Natural science foundation of China under Grant U2006224, 51978352, 51908308, Natural science foundation of Shandong Province under Grant ZR201910210098, and Qingdao Research Program 16-5-1-96-jch is gratefully acknowledged.
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Volume 34 • Issue 3 • March 2022
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