材料科学
六方氮化硼
氮化硼
密度泛函理论
分子动力学
六方晶系
刚度(电磁)
极限抗拉强度
复合材料
纳米技术
硼
石墨烯
结晶学
计算化学
有机化学
化学
作者
L. Boldrin,Fabrizio Scarpa,Rajib Chowdhury,Sondipon Adhikari
出处
期刊:Nanotechnology
[IOP Publishing]
日期:2011-11-23
卷期号:22 (50): 505702-505702
被引量:265
标识
DOI:10.1088/0957-4484/22/50/505702
摘要
We propose an analytical formulation to extract from energy equivalence principles the equivalent thickness and in-plane mechanical properties (tensile and shear rigidity, and Poisson's ratio) of hexagonal boron nitride (h-BN) nanosheets. The model developed provides not only very good agreement with existing data available in the open literature from experimental, density functional theory (DFT) and molecular dynamics (MD) simulations, but also highlights the specific deformation mechanisms existing in boron nitride sheets, and their difference with carbon-based graphitic systems.
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