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Effect of Al2O3 Substituting SiO2 on Structure and Properties of Aluminosilicate Glass via Molecular Dynamics Analysis
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Chaofan WANG1, Cong ZHONG1, Hao HU1, Huidan ZENG1, Qun ZU2
Journal of the Chinese Ceramic Society | 2022, 50(4) : 886 - 893
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Journal of the Chinese Ceramic Society | 2022, 50(4): 886-893
• Research Articles •
Effect of Al2O3 Substituting SiO2 on Structure and Properties of Aluminosilicate Glass via Molecular Dynamics Analysis
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Chaofan WANG1, Cong ZHONG1, Hao HU1, Huidan ZENG1, Qun ZU2
Affiliations
  • 1.School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China
  • 2.Nanjing Glass Fiber Research and Design Institute, Sinoma Science and Technology Co. Ltd., Nanjing 210012, China

    • WANG Chaofan (1998-), male, Master candidate. E-mail:

About Author:

WANG Chaofan (1998-), male, Master candidate. E-mail:

Published: 2022-04-20 doi: 10.14062/j.issn.0454-5648.20211080
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The influence of Al/(Al+Si) molar ratio on the short-/mid-range structure and elastic modulus of alkali aluminosilicate glass was investigated via molecular dynamics simulation. The results show that the non-bridging oxygen in the glass network transforms to bridging oxygen and triple-bonded oxygen as the ratio of Al/(Al+Si) increases. When the ratio of Al/(Al+Si)>0.3, the non-bridging oxygen mainly changes to triple bond oxygen. The structural units transform to a high degree of polymerization, the connectivity of the glass network increases, and the elastic modulus of the glass increases as the ratio of Al/(Al+Si) increases. The elastic modulus of glass increases with the increase of Al/(Al+Si) molar ratio. The data calculated by the simulation are consistent with the experimental results, thus verifying a feasibility of using the molecular dynamics simulation to improve the glass composition.

alkali aluminosilicate glass  /  molecular dynamics simulation  /  microstructure  /  glass modulus
王超凡, 钟聪, 胡浩, 曾惠丹, 祖群. Al2O3取代SiO2对铝硅酸盐玻璃结构和性能影响的分子动力学. 硅酸盐学报, 2022 , 50 (4) : 886 -893 . DOI: 10.14062/j.issn.0454-5648.20211080
Chaofan WANG, Cong ZHONG, Hao HU, Huidan ZENG, Qun ZU. Effect of Al2O3 Substituting SiO2 on Structure and Properties of Aluminosilicate Glass via Molecular Dynamics Analysis[J]. Journal of the Chinese Ceramic Society, 2022 , 50 (4) : 886 -893 . DOI: 10.14062/j.issn.0454-5648.20211080
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Year 2022 volume 50 Issue 4
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Article Info
doi: 10.14062/j.issn.0454-5648.20211080
  • Receive Date：2021-12-12
  • Online Date：2026-10-22
  • Published：2022-04-20
Article Data
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History
  • Received：2021-12-12
  • Revised：2021-12-28
Funding
Affiliations
    1.School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China
    2.Nanjing Glass Fiber Research and Design Institute, Sinoma Science and Technology Co. Ltd., Nanjing 210012, China

Corresponding:

ZENG Huidan (1976-), female, Professor. E-mail:
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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