Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A Review
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 cu...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-10-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/10/11/2158 |
| _version_ | 1797549473410318336 |
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| author | Byoung Hooi Cho Wonseok Chung Boo Hyun Nam |
| author_facet | Byoung Hooi Cho Wonseok Chung Boo Hyun Nam |
| author_sort | Byoung Hooi Cho |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T15:15:07Z |
| format | Article |
| id | doaj.art-bb62942b09f74351913540b1b951d93e |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-10T15:15:07Z |
| publishDate | 2020-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-bb62942b09f74351913540b1b951d93e2023-11-20T19:01:45ZengMDPI AGNanomaterials2079-49912020-10-011011215810.3390/nano10112158Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A ReviewByoung Hooi Cho0Wonseok Chung1Boo Hyun Nam2Department of Civil, Environmental and Construction Engineering, University of Central Florida, 12800 Pegasus Drive, Suite 211, Orlando, FL 32816, USADepartment of Civil Engineering, Kyung Hee University, 1732 Deogyeong-daero, Giheung-gu, Yongin-si 17104, KoreaDepartment of Civil, Environmental and Construction Engineering, University of Central Florida, 12800 Pegasus Drive, Suite 211, Orlando, FL 32816, USAWith 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.https://www.mdpi.com/2079-4991/10/11/2158molecular dynamicscalcium-silicate-hydratenano-engineered cement materialscarbon-based nanomaterialscement–polymer nanocomposites |
| spellingShingle | Byoung Hooi Cho Wonseok Chung Boo Hyun Nam Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A Review Nanomaterials molecular dynamics calcium-silicate-hydrate nano-engineered cement materials carbon-based nanomaterials cement–polymer nanocomposites |
| title | Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A Review |
| title_full | Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A Review |
| title_fullStr | Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A Review |
| title_full_unstemmed | Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A Review |
| title_short | Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites—A Review |
| title_sort | molecular dynamics simulation of calcium silicate hydrate for nano engineered cement composites a review |
| topic | molecular dynamics calcium-silicate-hydrate nano-engineered cement materials carbon-based nanomaterials cement–polymer nanocomposites |
| url | https://www.mdpi.com/2079-4991/10/11/2158 |
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