Program

P.45 -- Poster, NCTP-41

Date: Wednesday, 3 August 2016

Time: 08h30 - 10h00

Melting Boron Nitride Nanoribbons

Nguyen Thi Thuy Hang

Ho Chi Minh City University of Technology.

Melting of hexagonal Boron Nitride (BN) model in 2D space is studied via molecular dynamics simulation. The model contains 10000 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 Hang