Atomistic simulations to study thermal effects and strain rate on mechanical and fracture properties of graphene like BC3

A Verma, S Sharma - Forcefields for atomistic-scale simulations: materials …, 2022 - Springer
In recent years, experimentally fabricated two-dimensional materials evoked great attention
in nanodevice manufacturing industries. In this chapter, the author analyzed the mechanical …

Mechanical properties and fracture analysis of defective penta-graphene under temperature variation: Insight from molecular dynamics

S Ajori, AR Eftekharfar - Diamond and Related Materials, 2022 - Elsevier
Classical molecular dynamics simulations have been performed to investigate five
mechanical properties of defective penta-graphene under uniaxial tension, namely Young's …

Investigating the impact of two-dimensional BC3 membrane geometry on ethane/ethylene separation using molecular dynamics

M Attari, J Mahmoudi, S Sadeghzadeh - Applied Physics A, 2024 - Springer
To address the need for efficient separation of ethylene and ethane in the industry, this
research employed molecular dynamics simulations using the LAMMPS Software. To …

[PDF][PDF] Investigating the Effects of Geometric Defects and Temperature Changes on the Fracture Behavior of Boron Carbide Monocrystalline Structure by Molecular …

A Albooyeh, A Dadrasi… - Journal Of Applied …, 2022 - mechanic-ferdowsi.um.ac.ir
The discovery of graphene with a hexagonal structure in 2004 attracted the attention of
researchers to two-dimensional structures such as boron nitride, phosphorus, silica …

A Theoretical Scenario for the Fracture Fingerprint of BN-Graphene Nanosheets: Effect of Grain Boundary and Temperature

A Albooyeh, A Dadrasi, A Aghajanpour… - Available at SSRN … - papers.ssrn.com
Stress concentration and nonlinear buckling created by grain boundaries in two-
dimensional (2D) structures, topological effects and various geometric defects are …