Toughening mechanism of barium titanosilicate glass-ceramics
The fracture toughness of oxide glasses can be improved through controlled crystallization, forming glass-ceramics. However, to fully exploit their potential, an atomic-scale understanding of the toughening mechanism is needed. In this work, we investigate the structural origin of the variation in f...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-10-01
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| Series: | Materials & Design |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127524006786 |
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| author | Daming Sun Tao Du Qi Zhang Lars R. Jensen Deyong Wang Junwei Ding Jianan Zhao Morten M. Smedskjaer |
| author_facet | Daming Sun Tao Du Qi Zhang Lars R. Jensen Deyong Wang Junwei Ding Jianan Zhao Morten M. Smedskjaer |
| author_sort | Daming Sun |
| collection | DOAJ |
| description | The fracture toughness of oxide glasses can be improved through controlled crystallization, forming glass-ceramics. However, to fully exploit their potential, an atomic-scale understanding of the toughening mechanism is needed. In this work, we investigate the structural origin of the variation in fracture toughness of barium titanosilicate glass-ceramics with varying crystallinity by combining experiments and molecular dynamics simulations. Generally, the glass-ceramics exhibit improved hardness, elastic modulus, and fracture toughness compared to the precursor glasses. The simulation results of 40BaO-20TiO2-40SiO2 glass-ceramics reveal that the differences can primarily be attributed to titanium bond switching events, namely, the change of the titanium coordination number under stress to dissipate mechanical energy. We also show that by tuning the content and aspect ratio of the formed fresnoite crystals, the fracture behavior of the glass-ceramics can be modified due to the redistribution of the stress field before fracture, which in turn controls the fracture path. |
| format | Article |
| id | doaj-art-21b8a7de47074f99bc70c554cfce30f1 |
| institution | OA Journals |
| issn | 0264-1275 |
| language | English |
| publishDate | 2024-10-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials & Design |
| spelling | doaj-art-21b8a7de47074f99bc70c554cfce30f12025-08-20T01:54:15ZengElsevierMaterials & Design0264-12752024-10-0124611330310.1016/j.matdes.2024.113303Toughening mechanism of barium titanosilicate glass-ceramicsDaming Sun0Tao Du1Qi Zhang2Lars R. Jensen3Deyong Wang4Junwei Ding5Jianan Zhao6Morten M. Smedskjaer7Department of Chemistry and Bioscience, Aalborg University, Aalborg, DenmarkDepartment of Chemistry and Bioscience, Aalborg University, Aalborg, DenmarkDepartment of Chemistry and Bioscience, Aalborg University, Aalborg, DenmarkDepartment of Materials and Production, Aalborg University, Aalborg, DenmarkDepartment of Materials and Production, Aalborg University, Aalborg, DenmarkCollege of New Energy, Zhengzhou University of Light Industry, Zhengzhou 450002, PR ChinaCollege of New Energy, Zhengzhou University of Light Industry, Zhengzhou 450002, PR ChinaDepartment of Chemistry and Bioscience, Aalborg University, Aalborg, Denmark; Corresponding author.The fracture toughness of oxide glasses can be improved through controlled crystallization, forming glass-ceramics. However, to fully exploit their potential, an atomic-scale understanding of the toughening mechanism is needed. In this work, we investigate the structural origin of the variation in fracture toughness of barium titanosilicate glass-ceramics with varying crystallinity by combining experiments and molecular dynamics simulations. Generally, the glass-ceramics exhibit improved hardness, elastic modulus, and fracture toughness compared to the precursor glasses. The simulation results of 40BaO-20TiO2-40SiO2 glass-ceramics reveal that the differences can primarily be attributed to titanium bond switching events, namely, the change of the titanium coordination number under stress to dissipate mechanical energy. We also show that by tuning the content and aspect ratio of the formed fresnoite crystals, the fracture behavior of the glass-ceramics can be modified due to the redistribution of the stress field before fracture, which in turn controls the fracture path.http://www.sciencedirect.com/science/article/pii/S0264127524006786Glass-ceramicsFracture toughnessMicrostructureTitanosilicatesMolecular dynamics simulation |
| spellingShingle | Daming Sun Tao Du Qi Zhang Lars R. Jensen Deyong Wang Junwei Ding Jianan Zhao Morten M. Smedskjaer Toughening mechanism of barium titanosilicate glass-ceramics Materials & Design Glass-ceramics Fracture toughness Microstructure Titanosilicates Molecular dynamics simulation |
| title | Toughening mechanism of barium titanosilicate glass-ceramics |
| title_full | Toughening mechanism of barium titanosilicate glass-ceramics |
| title_fullStr | Toughening mechanism of barium titanosilicate glass-ceramics |
| title_full_unstemmed | Toughening mechanism of barium titanosilicate glass-ceramics |
| title_short | Toughening mechanism of barium titanosilicate glass-ceramics |
| title_sort | toughening mechanism of barium titanosilicate glass ceramics |
| topic | Glass-ceramics Fracture toughness Microstructure Titanosilicates Molecular dynamics simulation |
| url | http://www.sciencedirect.com/science/article/pii/S0264127524006786 |
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