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High-temperature thermal stability and in-plane compressive properties of a graphene and a boron-nitride nanosheet

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成果类型:
期刊论文
作者:
Yuan, Jianhui;Liew, K. M.*
通讯作者:
Liew, K. M.
作者机构:
[Yuan, Jianhui] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410004, Hunan, Peoples R China.
[Yuan, Jianhui; Liew, K. M.] City Univ Hong Kong, Dept Civil & Architectural Engn, Kowloon, Hong Kong, Peoples R China.
[Liew, K. M.] City Univ Hong Kong, Dept Civil & Architectural Engn, Tat Chee Ave, Kowloon, Hong Kong, Peoples R China.
通讯机构:
[Liew, K. M.] C
City Univ Hong Kong, Dept Civil & Architectural Engn, Tat Chee Ave, Kowloon, Hong Kong, Peoples R China.
语种:
英文
关键词:
Buckling mode;Buckling strain;Compressive properties;High temperature;In-plane compressive strain;Lateral buckling;Lateral deformation;Molecular dynamics simulations;Radial distribution functions;Stress anisotropy;Structural performance;Structure distortions;System energy;Thermal expansion anisotropy;Thermo-stability;Universal force field methods;Anisotropy;Buckling;Chirality;Elasticity;Enantiomers;Molecular dynamics;Nanosheets;Nitrides;Graphene
期刊:
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
ISSN:
1533-4880
年:
2012
卷:
12
期:
3
页码:
2617-2624
基金类别:
Research Grants Council of the Hong Kong Special Administrative Region, ChinaHong Kong Research Grants Council [9041674, CityU 118411]; China National Natural Science FoundationNational Natural Science Foundation of China (NSFC) [11172253]
机构署名:
本校为第一机构
院系归属:
物理与电子科学学院
摘要:
The structural performance of graphene and boron-nitride nanosheet (BNNS) with zigzag and armchair types, when subjected to high temperatures, is investigated through molecular dynamics simulations. It is found that the degree of structure distortion is related to chirality; materials at high temperature of 3500 K, the zigzag nanosheet always exhibits less distortion than the armchair for the same material, and the BNNS exhibits less distortion than graphene for the same chirality. Graphene and BNNS with different in-plane compressive strains are optimized by using the Universal Force Field (U...

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