Programme

P.32 -- Poster, VCTP-45

Date: Tuesday, 13 October 2020

Time: 08:30 - 10:00

Size effect on melting of silicene nanoribbons by molecular dynamics simulation

Do Ngoc Anh Thuy (1), Truong Quoc Tuan (1), Ong Kim Le (1), Huynh Anh Huy (2), Vo Van Hoang (3)

(1) Department of Physics, Faculty of Natural Science, Can Tho University, Vietnam (2) Department of Physics, School of Education, Can Tho University, Vietnam (3) Comp. Phys. Lab, Ho Chi Minh City University of Technology, Vietnam National University – Ho Chi Minh City

An analysis of a phase transition in silicene nanoribbons (SiNNRBs) carried by molecular dynamics simulation (MDs) under non-periodic boundary conditions. A crystal SiNNRBs models containing 3000, 6000 and 10000 atoms are arranged a honeycomb structure with the low-buckling of z=0,44A and a bond length of d=2,28A. All models are heated to temperature much higher melting point with melting rate 2.10^11 K/s . Evolution of structure and thermodynamics properties upon melting are investigated and discussed, such as radial distribution functions (RDF), temperature dependence of total energy, potential energy, coordination number, bond and angle distribution, interatomic distance between Si-Si. 2D visualization of atomic configurations are also presented. Melting of SiNNRBs from the crystal state has been effected by size of model. Acknowledgements: This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant 103.02-2019.377.

Presenter: Huỳnh Anh Huy

Presentation file: