Molecular Dynamic Simulation of Zigzag Silicon Carbide Nanoribbon

Hang Thi Thuy Nguyen

doi:10.15625/0868-3166/15874

Author affiliations

Authors

Hang Thi Thuy Nguyen \(^{1}\)Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam;
\(^{2}\)Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam https://orcid.org/0000-0002-6459-2389

DOI:

https://doi.org/10.15625/0868-3166/15874

Keywords:

Zigzag SiCNR, Melting range, Structural evolution, Melting point, Molecular dynamic simulation,

Abstract

The heating process of zigzag silicon carbide nanoribbon (SiCNR) is studied via molecular dynamics (MD) simulation. The initial model contained 10000 atoms is heating from 50K to 6000K to study the structural evolution of zigzag SiCNR. The melting point is defined at 4010K, the phase transition from solid to liquid exhibits the first-order type. The mechanism of structural evolution upon heating is studied based on the radiral distribution functions, coordination number, ring distributions, and angle distributions.

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