Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer composites
Although the geopolymer is generally regarded as a solution to low-carbon building materials, the intrinsic high brittleness greatly limits its further engineering practices. Here, we performed multi-scale ab-initio modeling and experiment on synergistic effect of nano- calcium carbonate (NCC) and p...
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| Format: | Article |
| Language: | English |
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Elsevier
2023-09-01
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| Series: | Materials & Design |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127523006950 |
| _version_ | 1797671485541711872 |
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| author | Li Li Zhili Ma Xing Ming |
| author_facet | Li Li Zhili Ma Xing Ming |
| author_sort | Li Li |
| collection | DOAJ |
| description | Although the geopolymer is generally regarded as a solution to low-carbon building materials, the intrinsic high brittleness greatly limits its further engineering practices. Here, we performed multi-scale ab-initio modeling and experiment on synergistic effect of nano- calcium carbonate (NCC) and polyethylene fiber (PEF) on toughening mechanisms of geopolymer composites for the first time. Results showed that NCC significantly improved micro-scale geopolymer gels aggregation on the surface of PEF through the nano-scale calcium (Ca)-triggered electrostatic attractions and high bonding between N/CASH-polyethylene. Due to micro-scale gel aggregation, meso fiber dispersion, geopolymers with 12 mm + 6 mm PE fiber + 1% NCC showed the best synergistic effect on macro- scale bending toughness and multiple cracking characteristics. The relationship of fiber reinforcing index-toughness, toughness-crack amount and toughness-crack fractal dimension tracked good linear, natural log and exponential function, respectively. The crack number and crack fractal dimension are applicable visible indicators of the bending toughness of PEF reinforced GCs. |
| first_indexed | 2024-03-11T21:16:13Z |
| format | Article |
| id | doaj.art-b14489d53d8b4d7b92a13284c0d36f8c |
| institution | Directory Open Access Journal |
| issn | 0264-1275 |
| language | English |
| last_indexed | 2024-03-11T21:16:13Z |
| publishDate | 2023-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials & Design |
| spelling | doaj.art-b14489d53d8b4d7b92a13284c0d36f8c2023-09-29T04:43:39ZengElsevierMaterials & Design0264-12752023-09-01233112280Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer compositesLi Li0Zhili Ma1Xing Ming2Key Laboratory of Agricultural Soil and Water Engineering in Arid and Semiarid Areas of Ministry of Education, Northwest A&F University, Yangling 712100, China; College of Water Resources and Architectural Engineering, Northwest A&F University, Yangling 712100, ChinaCollege of Water Resources and Architectural Engineering, Northwest A&F University, Yangling 712100, ChinaInstitute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macao SAR, China; Corresponding author.Although the geopolymer is generally regarded as a solution to low-carbon building materials, the intrinsic high brittleness greatly limits its further engineering practices. Here, we performed multi-scale ab-initio modeling and experiment on synergistic effect of nano- calcium carbonate (NCC) and polyethylene fiber (PEF) on toughening mechanisms of geopolymer composites for the first time. Results showed that NCC significantly improved micro-scale geopolymer gels aggregation on the surface of PEF through the nano-scale calcium (Ca)-triggered electrostatic attractions and high bonding between N/CASH-polyethylene. Due to micro-scale gel aggregation, meso fiber dispersion, geopolymers with 12 mm + 6 mm PE fiber + 1% NCC showed the best synergistic effect on macro- scale bending toughness and multiple cracking characteristics. The relationship of fiber reinforcing index-toughness, toughness-crack amount and toughness-crack fractal dimension tracked good linear, natural log and exponential function, respectively. The crack number and crack fractal dimension are applicable visible indicators of the bending toughness of PEF reinforced GCs.http://www.sciencedirect.com/science/article/pii/S0264127523006950Nano-calcium carbonatePolyethylene fiberSynergistic toughening effectGeopolymerAb-initio modeling |
| spellingShingle | Li Li Zhili Ma Xing Ming Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer composites Materials & Design Nano-calcium carbonate Polyethylene fiber Synergistic toughening effect Geopolymer Ab-initio modeling |
| title | Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer composites |
| title_full | Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer composites |
| title_fullStr | Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer composites |
| title_full_unstemmed | Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer composites |
| title_short | Multiscale ab-initio modeling and experiment of nano-CaCO3 and fiber synergy on toughening low-carbon geopolymer composites |
| title_sort | multiscale ab initio modeling and experiment of nano caco3 and fiber synergy on toughening low carbon geopolymer composites |
| topic | Nano-calcium carbonate Polyethylene fiber Synergistic toughening effect Geopolymer Ab-initio modeling |
| url | http://www.sciencedirect.com/science/article/pii/S0264127523006950 |
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