Program

P.56 -- Poster, NCTP-41

Date: Wednesday, 3 August 2016

Time: 08h30 - 10h00

Structural properties of amorphous 2D solid from the Liquid State with Square Potential

Nguyen To Nga (1), Vo Van Hoang (2), Nguyen Hoang Giang (2)

(1) Faculty of Fundamental Science, PetroVietnam University; (2) Comp. Phys. Lab, HochiMinh City Univ. of Technology, Vietnam National University- HochiMinh City

Structural properties of amorphous 2D solid with distorted square lattice-like structure from the liquid state is studied by molecular dynamics (MD) simulation. Models contain 6400 particles interacted via the square interatomic potential proposed by M. Rechtsman et al. (Phys. Rev. E 73, 011406 (2006)). Structure of amorphous 2D solid formed by cooling from the melt is investigated by analyzing the radial distribution function (RDF), coordination number distribution, ring statistics, bond – orientation order, interatomic distance and bond-angle distributions, visualization of atomic configurations. Main structural defects found in the obtained 2D solid are vacancies of different sizes and shapes such as double triangles splitting from a distorted square, rings of various sizes and distorted squares. Discovery of 2D iron with a square lattice structure suspended in pores of graphene sheet by experiment (J. Zhao et al., Science 343, 1228 (2014)) has stimulated the researches related to 2D iron and other 2D metals by both experiments and computer simulations in general. However, our understanding of structure and thermodynamics of 2D iron is completely lacking since main attention has focused on its thermal stability, magnetic behaviors and/or possibility of applications in practice. Therefore, our MD simulation of the formation of amorphous 2D solid from the liquid with square potential provides additional information for understanding of structure of amorphous 2D iron. Acknowledgements: This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant 103.01-2014.86.

Presenter: Nguyen To Nga