Program

P.18 -- Poster, IWTCP-3

Date: Wednesday, 29 July 2015

Time: 08h30 - 10h00

THE DEPENDENCE OF MELTING RATE IN HEATING PROCESS OF BORON NITRIDE NANORIBBONS

Nguyen Thi Thuy Hang

Department of Applied Physics, Ho Chi Minh City Univercity of Technology, National University of Hochiminh City, 268 Ly Thuong Kiet Str., Distr. 10, Hochiminh City, Vietnam

Melting of hexagonal Boron Nitride (BN) model in 2D space with different melting rates is studied via molecular dynamics simulation. The melting rates 1011K/s, 1012K/s, 1013K/s are applied for BN model containing 104 atoms interacted via long-range bond-order potential (LCBOP). Model is heated up from 50 K to 7000 K in order to see the melting rate dependence of various thermodynamic quantities, structural characteristics, occurrence of various structural defects upon heating to a molten state. Some thermodynamic quantities are presented: Temperature dependence of total energy exhibits a first-order-like behavior of the transition at a melting point; heat capacity of the system exhibits a single peak at around the melting point. Melting point of hexagonal Boron Nitride (BN) in 2D space is rather high due to constraint of the 2D space.

Presenter: Nguyen Thi Thuy Hang