Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A review
This paper investigates the current landscape of multiscale studies in concrete composites incorporating molecular dynamics (MD) methods. Through a thorough literature analysis, it was determined that finite element, discrete element, homogenization, microphysical characterization, and machine learn...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-07-01
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| Series: | Case Studies in Construction Materials |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2214509524013056 |
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| author | Jie Cao Chao Wang Jaime Gonzalez-Libreros Tongfang Wang Yongming Tu Lennart Elfgren Gabriel Sas |
| author_facet | Jie Cao Chao Wang Jaime Gonzalez-Libreros Tongfang Wang Yongming Tu Lennart Elfgren Gabriel Sas |
| author_sort | Jie Cao |
| collection | DOAJ |
| description | This paper investigates the current landscape of multiscale studies in concrete composites incorporating molecular dynamics (MD) methods. Through a thorough literature analysis, it was determined that finite element, discrete element, homogenization, microphysical characterization, and machine learning methods are better suited for integration with MD in multiscale studies of concrete composites. The paper delves into MD's application characteristics and the selection of force fields in multiscale studies and provides a summary of the combined applications between MD and various methods. Challenges identified include the optimization of MD simulations and the appropriate selection of combined methods. The conclusions underscore the growing recognition of MD's significance, advocating for rational multi-method integration in multiscale approaches to effectively advance research on concrete composites. |
| format | Article |
| id | doaj-art-fd403abaa25042dea198d2d9caf6feb3 |
| institution | DOAJ |
| issn | 2214-5095 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Case Studies in Construction Materials |
| spelling | doaj-art-fd403abaa25042dea198d2d9caf6feb32025-08-20T02:53:13ZengElsevierCase Studies in Construction Materials2214-50952025-07-0122e0415310.1016/j.cscm.2024.e04153Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A reviewJie Cao0Chao Wang1Jaime Gonzalez-Libreros2Tongfang Wang3Yongming Tu4Lennart Elfgren5Gabriel Sas6Division of Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, Luleå 97187, SwedenDivision of Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, Luleå 97187, Sweden; Correspondence to: Structural Engineering, Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå university of technology, Luleå 97187, Sweden.Division of Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, Luleå 97187, SwedenKey Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, Nanjing 211189, PR ChinaDivision of Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, Luleå 97187, Sweden; Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, Nanjing 211189, PR ChinaDivision of Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, Luleå 97187, SwedenDivision of Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, Luleå 97187, Sweden; Correspondence to: Structural Engineering, Structural and Fire Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå university of technology, Luleå 97187, Sweden.This paper investigates the current landscape of multiscale studies in concrete composites incorporating molecular dynamics (MD) methods. Through a thorough literature analysis, it was determined that finite element, discrete element, homogenization, microphysical characterization, and machine learning methods are better suited for integration with MD in multiscale studies of concrete composites. The paper delves into MD's application characteristics and the selection of force fields in multiscale studies and provides a summary of the combined applications between MD and various methods. Challenges identified include the optimization of MD simulations and the appropriate selection of combined methods. The conclusions underscore the growing recognition of MD's significance, advocating for rational multi-method integration in multiscale approaches to effectively advance research on concrete composites.http://www.sciencedirect.com/science/article/pii/S2214509524013056Multiscale researchConcrete compositesMolecular dynamicsMulti-method Integration |
| spellingShingle | Jie Cao Chao Wang Jaime Gonzalez-Libreros Tongfang Wang Yongming Tu Lennart Elfgren Gabriel Sas Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A review Case Studies in Construction Materials Multiscale research Concrete composites Molecular dynamics Multi-method Integration |
| title | Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A review |
| title_full | Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A review |
| title_fullStr | Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A review |
| title_full_unstemmed | Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A review |
| title_short | Extended applications of molecular dynamics methods in multiscale studies of concrete composites: A review |
| title_sort | extended applications of molecular dynamics methods in multiscale studies of concrete composites a review |
| topic | Multiscale research Concrete composites Molecular dynamics Multi-method Integration |
| url | http://www.sciencedirect.com/science/article/pii/S2214509524013056 |
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