Minh-Quy Le

TL;DR: It is found that boron sheets exhibit an anisotropic mechanical response due to the different arrangement of atoms along the armchair and zigzag directions and the Young's modulus and tensile strength decrease with increasing the temperature.

TL;DR: In this paper, the authors used molecular dynamics simulations to study crack initiation and propagation in pre-cracked single layer arm chair graphene sheets deformed in simple tension by prescribing axial velocities to atoms at one edge and keeping atoms at the other edge fixed.

TL;DR: In this article, the uniaxial tensile mechanical properties of pristine and defective hexagonal boron nitride (BN) and silicon carbide (SiC) sheets were investigated through a molecular dynamics finite element method with Tersoff and TERSoff-like potentials.

TL;DR: In this article, the thermal conductivity of borophene has been investigated using reactive molecular dynamics simulations, and it has been shown that the buckling of the structure along the zigzag and armchair directions is attributed to low-frequency phonons.

TL;DR: In this article, the effects of vacancies and Stone-Wales defects on the mechanical properties of silicene are investigated through molecular dynamic finite element method with Tersoff potential, where Young's modulus, Poisson's ratio and uniaxial tensile stress-strain curves are considered in the armchair and zigzag directions.