Energetic of single-walled armchair, zigzag, and chiral silicon nanotube and investigate of the effect of stress on melting point with use molecular dynamic (MD) simulation

In this paper, are have performing simulations molecular dynamic (MD) simulation within an isobaric- isothermal ensemble. The tersoff potential many-body interatomic potential[۱] was used to model the energetic and dynamics of the stress on single wall silicon nanotubes (SWSiNTs), Our aim has been to calculate the melting temperature of SWSiNTs at the various radius size and investigate effect of stress on SWSiNTs too

کلیدواژه ها:

MD Simulation ، Silicon Nanotube ، Tersoff Potential ، Stress ، Melting Point