2024 : 12 : 10
Shahram Ajori

Shahram Ajori

Academic rank: Assistant Professor
ORCID:
Education: PhD.
ScopusId:
HIndex:
Faculty: 1
Address:
Phone: +98-41-37278900 #110

Research

Title
Graphullerene: A Fully Atomistic Analysis of the Tensile Characteristics Under Temperature Variation
Type
JournalPaper
Keywords
auxetic nanosheets, graphullerenes, mechanical properties, molecular dynamics simulations, tensile behaviors R
Year
2024
Journal ADVANCED ENGINEERING MATERIALS
DOI
Researchers Shahram Ajori ، Mohsen Eghbalian ،

Abstract

Based on the molecular dynamics simulations, mechanical properties of the most recently synthesized covalent fullerene network, i.e., graphullerene sheet, under uniaxial tension, are determined. These properties include Young's modulus, ultimate stress, failure strain, tensile toughness, and Poisson's ratio. Due to the lack of existing data on mechanical properties of graphullerene, a comprehensive study is performed to get an insight into the effects of defect density, size, and temperature on all tensile characteristics. In the results, it is indicated that the tensile behavior of graphullerene structure is comparable with graphene allotropes. Moreover, it is observed that the presence of defect reduces stiffness, ultimate stress, and tensile toughness, while it has a negligible effect on the failure strain. It is further observed that unlike stiffness, increasing the temperature reduces other tensile characteristics. Interestingly, it is found that graphullerene exhibits auxetic behavior with negative Poisson's ratio which categorizes it as a unique auxetic material ever synthesized. At the end, three types of potential functions for hydrocarbons including adaptive intermolecular reactive empirical bond order, reactive empirical bond order, and Tersoff are considered to study the tensile behavior of graphullerene. This new auxetic nanosheet is a promising analogous to the existing 2D nanostructures with fascinating potential applications.