Critical Buckling Load of SiCNTs: A Molecular Dynamics Study on Gas Sensing

Authors : Kadir MERCAN, Ömer CİVALEK

Pages : 40-52

Doi:10.24107/ijeas.1151308

View : 43 | Download : 8

Publication Date : 2022-09-02

Article Type : Research Paper

Abstract :Silicon carbide nanotube insert ignore into journalissuearticles values(SiCNT); come forward in the great variety of nanotubes with higher durability until 1600 oC insert ignore into journalissuearticles values(in air); while carbon nanotube can stay stable until 600 oC insert ignore into journalissuearticles values(in air);. First five buckling loads of single SiCNT placed between source and drain metal electrodes in nano sized field effect transistors insert ignore into journalissuearticles values(FET); is investigated using two different molecular dynamics methods. L.A.M.M.P.S. software and Gromacs package is used to perform molecular dynamics analyzes. Armchair structure of SiCNT with chiralities insert ignore into journalissuearticles values(10,0);, insert ignore into journalissuearticles values(12, 0);, insert ignore into journalissuearticles values(14, 0);, insert ignore into journalissuearticles values(16, 0); were selected with 400, 480, 560, 640 atoms respectively. Results demonstrate clearly that longest nanotube perform lower stability as nanotubes becomes fragile with more atom numbers. Except from insert ignore into journalissuearticles values(10, 0); armchair SiCNT, first mode occurs at lowest load and rise as the number of mode arise.
Keywords : SiCNT, Field Effect Transistors, LAMMPS, Gromacs, MD Simulation, SiCNT, Field Effect Transistors, LAMMPS, Gromacs, MD Simulation

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