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Mechanical responses of pristine and defective hexagonal boron-nitride nanosheets:A molecular dynamics investigation

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Frontiers of Structural and Civil Engineering 2020年第3期14卷 623-631页

作者： Mohammad SALAVATI Arvin MOJAHEDIN Ali Hossein Nezhad SHIRAZI Institute of Structural Mechanics Bauhaus-Universitat WeimarWeimar D-99423Germany

ABSTRACT In this work we conducted classical molecular dynamics(MD)simulation to investigate the mechanical characteristics and failure mechanism of hexagonal boron-nitride(h-BN)*** and defective structure of h-BN nanosheets were considered under the uniaxial tensile loadings at various *** defective structure contains three types of the most common initial defects in engineering materials that are known as cracks,notches(with various length/size),and point vacancy defects(with a wide range of concentration).MD simulation results demonstrate a high load-bearing capacity of extremely defective(amorphized)h-BN *** results also reveal that the tensile strength decline by increasing the defect content and temperature as *** MD results provide a comprehensive and useful vision concerning the mechanical properties ofh-BN nanosheets with/without defects,which is very critical for the designing of nanodevices exploiting the exceptional physics of h-BN.

关键词： hexagonal boron-nitride mechanical properties crack notch point defects molecular dynamics

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Hetero-Epitaxial Diamond Single Crystal Growth on Surface of cBN Single Crystals at High Pressure and High Temperature

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Chinese Physics Letters 2008年第6期25卷 2273-2276页

作者：高峰贾晓鹏马红安郭玮刘晓兵 National Lab of Superhard Materiai Jilin University Changchun 130012 Institute of Materials Science and Engineering Henan Polytechnic University Jiaozuo 454000

We report a new diamond synthesis process in which cubic boron nitride single crystals are used as seeds, FesoNi20 alloy powder is used as catalyst/solvent and natural flake-like graphite is used as the carbon source. The samples are investigated using laser Raman spectra and x-ray diffraction （XRD）. Morphology of the sample is observed by a scanning electron microscope （SEM）. Based on the measurement results, we conclude that diamond single crystals have grown on the cBN crystal seeds under the conditions of high temperature 1230℃ and high pressure 4.8 GPa. This work provides an original method for synthesis of high quality hereto-semiconductor with cBN and diamond single crystals, and paves the way for future development.

关键词： hexagonal boron-nitride ELECTRONIC-STRUCTURES IRON CARBIDE INTERFACE

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