Program

P.26 -- Poster, NCTP-42

Date: Tuesday, 1 August 2017

Time: 16h00 - 17h30

Melting of Two-Dimensional Crystal with Square Lattice Structure

Nguyen Ngoc Phuong Thanh (1), Vo Van Hoang (2), Nguyen Hoang Giang (2), Le Nguyen Tue Minh (2)

(1) Department of Physics, College of Natural Sciences, Can Tho University, 3/2 Street, Ninh Kieu District, Can Tho City, Vietnam. (2) Computational Physics Lab., Ho Chi Minh City University of Technology, Vietnam National University – Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam.

We present the molecular dynamic (MD) simulations of melting of two-dimensional (2D) crystal with the square lattice structure. Model contains 6400 atoms interacted via the square potential proposed by Rechtsman et al. (Phys. Rev. E, 2006, 73, 011406). The model is heated up from 0.1 to 1.0 (in reduced Lennard-Jones unit) in order to show the evolutions of various thermodynamic properties and structural characteristics. We find that the spontaneous melting of the 2D model exhibits the first-order behavior of the transition from the square lattice structure to the 2D liquid-like triangle lattice structure. Various structural and thermodynamic properties upon heating from the solid state to the liquid state are analyzed in details via radial distribution functions, temperature dependence of total energy and heat capacity, coordination number distributions, ring statistics, bond orientation orders, interatomic distances and bond angle distributions. The heat capacity of the system exhibits a single peak that exists at around the melting point . Atomic mechanism of melting is analyzed via monitoring the spatio-temporal arrangement of the liquid-like atoms occurred during the heating process. This research is funded by Vietnam National University Ho Chi Minh City (VNU-HCM) under grant number B2017-20-02.

Presenter: Le Nguyen Tue Minh