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Reactive Molecular Dynamic Simulation of Graphene Oxide Enhanced Calcium Silicate Aluminate Hydrate
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Gang QIAO, Pan WANG, Dongshuai HOU, Zuquan JIN, Shaochun LI
Journal of the Chinese Ceramic Society | 2023, 51(5) : 1154 - 1164
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Journal of the Chinese Ceramic Society | 2023, 51(5): 1154-1164
• Research Articles •
Reactive Molecular Dynamic Simulation of Graphene Oxide Enhanced Calcium Silicate Aluminate Hydrate
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Gang QIAO, Pan WANG, Dongshuai HOU, Zuquan JIN, Shaochun LI
Affiliations
  • Department of Civil Engineering, Qingdao University of Technology, Qingdao 266520, Shandong, China

    • QIAO Gang (1996-), male, Doctoral candidate. E-mail:

About Author:

QIAO Gang (1996-), male, Doctoral candidate. E-mail:

Published: 2023-05-20 doi: 10.14062/j.issn.0454-5648.20220637
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Cement-supplementary cementitious materials (SCM)/graphene oxide (GO) combine a lower carbon footprint with ductility enhancement. Aluminum phase released during the SCM hydration occurs in various forms in C-A-S-H/GO. The effects of bridging Al(Q2b) and interlayer Alinter on the mechanical properties of C-A-S-H/GO were investigated based on the reactive molecular dynamics. It is indicated that Alinter with less than Al(Q2b) redistributes the stress during the fracture of the system, activating load sharing between the layers, and thus triggering a "recovery-reinforcement" mechanism to multiply the mechanical properties. The "recovery-reinforcement" can be explained via analyzing Al's contribution to the reorganization of the interfacial bonding network and the chemical bonding evolution during fracture. The results show that the targeted regulation of Al chemical environment in cement-SCM/GO preparation is a key issue to break the ductility bottleneck.

cement  /  supplementary cementitious materials  /  graphene oxide  /  reactive molecular dynamics
乔岗, 王攀, 侯东帅, 金祖权, 李绍纯. 氧化石墨烯增韧水化硅铝酸钙的反应分子动力学模拟. 硅酸盐学报, 2023 , 51 (5) : 1154 -1164 . DOI: 10.14062/j.issn.0454-5648.20220637
Gang QIAO, Pan WANG, Dongshuai HOU, Zuquan JIN, Shaochun LI. Reactive Molecular Dynamic Simulation of Graphene Oxide Enhanced Calcium Silicate Aluminate Hydrate[J]. Journal of the Chinese Ceramic Society, 2023 , 51 (5) : 1154 -1164 . DOI: 10.14062/j.issn.0454-5648.20220637
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Year 2023 volume 51 Issue 5
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Article Info
doi: 10.14062/j.issn.0454-5648.20220637
  • Receive Date：2022-08-04
  • Online Date：2026-10-20
  • Published：2023-05-20
Article Data
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History
  • Received：2022-08-04
  • Revised：2022-08-22
Funding
Affiliations
    Department of Civil Engineering, Qingdao University of Technology, Qingdao 266520, Shandong, China

Corresponding:

HOU Dongshuai (1986-), male, Ph.D., 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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