A. Ameri
1Department of Mechanical Engineering, Faculty of Engineering, University of Guilan, P.O.Box 3756, Rasht, Iran.
[ 1 ] - Elastic Properties and Fracture Analysis of Perfect and Boron-doped C2N-h2D Using Molecular Dynamics Simulation
This paper explores the mechanical properties and fracture analysis of C2N-h2D single-layer sheets using classical molecular dynamics (MD) simulations. Simulations are carried out based on the Tersoff potential energy function within Nose-Hoover thermostat algorithm at the constant room temperature in a canonical ensemble. The influences of boron (B) doping on the mechanical properties, ...