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Computational Simulation of Interface Functional Design of Clay Mineral Materials
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Liangjie FU, Tianyu LIU, Huaming YANG
Journal of the Chinese Ceramic Society | 2021, 49(7) : 1347 - 1358
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Journal of the Chinese Ceramic Society | 2021, 49(7): 1347-1358
• Special Issue on Mineral Material •
Computational Simulation of Interface Functional Design of Clay Mineral Materials
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Liangjie FU, Tianyu LIU, Huaming YANG
Affiliations
  • School of Minerals Processing and Bioengineering, Hunan International Joint Lab of Mineral Materials, Central South University, Changsha 410083, China

    • Fu Liangjie (1982-), male, Ph.D., Associate Professor. E-mail:

About Author:

Fu Liangjie (1982-), male, Ph.D., Associate Professor. E-mail:

Published: 2021-07-20 doi: 10.14062/j.issn.0454-5648.20210066
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Systematic studying the relationship between microstructure and properties of clay mineral materials at the atomic and electronic scales has become an important trend. In this paper, the research progress in computational simulation of surface/interface of mineral materials is reviewed, covering three directions, i.e., interface recombination, surface modification and structural modification. The relevant contents about atomic and electronic micromechanisms are summarized, while the challenges and future development direction of mineral material functional design are prospected.

mineral materials  /  surface  /  interface  /  computational simulation  /  density functional theory
傅梁杰, 刘天宇, 杨华明. 黏土矿物材料表界面功能设计的计算模拟. 硅酸盐学报, 2021 , 49 (7) : 1347 -1358 . DOI: 10.14062/j.issn.0454-5648.20210066
Liangjie FU, Tianyu LIU, Huaming YANG. Computational Simulation of Interface Functional Design of Clay Mineral Materials[J]. Journal of the Chinese Ceramic Society, 2021 , 49 (7) : 1347 -1358 . DOI: 10.14062/j.issn.0454-5648.20210066
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Year 2021 volume 49 Issue 7
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Article Info
doi: 10.14062/j.issn.0454-5648.20210066
  • Receive Date：2021-01-21
  • Online Date：2026-10-30
  • Published：2021-07-20
Article Data
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History
  • Received：2021-01-21
  • Revised：2021-01-28
Funding
Affiliations
    School of Minerals Processing and Bioengineering, Hunan International Joint Lab of Mineral Materials, Central South University, Changsha 410083, China
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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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