Examination of mechanical properties of graphene allotropes by means of computer simulation
Journal Title: Computer Assisted Methods in Engineering and Science - Year 2013, Vol 20, Issue 4
Abstract
The effective mechanical properties and the stress-strain relations of the eight types of the graphene allotropes are presented in this paper. Series of the tensile and shear tests are performed using the non-equilibrium molecular dynamics (NEMD) and the adaptive intermolecular reactive bond order (AIREBO) potential. The methodology of the investigation as well as obtained results are explained and discussed in detail. Where possible, the achieved results are compared with the data available in the scientific literature in order to validate our molecular dynamics models and simulations. In other cases, i.e., where only information about structural or electronic properties is available, presented results can complement the knowledge about these particular planar carbon networks.
Authors and Affiliations
Adam Mrozek, Tadeusz Burczyński
Keywords
Related Articles
- EP ID EP73664
- DOI -
- Views 121
- Downloads 0
Application of swarm intelligence algorithms in solving the inverse heat conduction problem
In the paper a proposal of using selected swarm intelligence algorithms for solving the inverse heat conduction problem is presented. The analyzed problem consists in reconstructing temperature distribution in the given...
Method of fundamental solutions and random numbers for the torsion of bars with multiply connected cross sections
The torsion of bars with multiply connected cross section by means of the method of fundamental solutions (MFS) is considered. Random numbers were used to determine the minimal errors for MFS. Five cases of cross section...
Minimizing the memory usage with parallel out-of-core multi-frontal direct solver
This paper presents the out-of-core solver for three-dimensional multiphysics problems. In particular, our study focuses on the three-dimensional simulations of the linear elasticity coupled with acoustics. The out-of-co...
Application of artificial neural networks in the damage identification of structural elements
The paper presents a structure test system developed for monitoring structural health, and discusses the results of laboratory experiments conducted on notched strip specimens made of various materials (aluminium, steel,...
Architecture of iterative solvers for hp-adaptive finite element codes
We present a layered architecture for iterative solvers of linear equations, designed to allow for easy integration with existing hp-adaptive FEM codes. We discuss interfaces between a solver and an external FEM code and...