Thermal conductivity of graphene polymorphs and compounds: From C3N to graphdiyne lattices
SM Hatam-Lee, A Rajabpour, S Volz - Carbon, 2020 - Elsevier
Tremendous experimental and theoretical attempts to find carbon based two-dimensional
semiconductors have yielded a wide variety of graphene polymorphs, such as carbon …
semiconductors have yielded a wide variety of graphene polymorphs, such as carbon …
Molecular dynamics investigation of the elastic and fracture properties of the R-graphyne under uniaxial tension
S Rouhi - Physica B: Condensed Matter, 2017 - Elsevier
In this paper, the mechanical properties of the R-graphynes are investigated by using
molecular dynamics simulations. For this purpose, the uniaxial strain is applied on the …
molecular dynamics simulations. For this purpose, the uniaxial strain is applied on the …
Molecular dynamics investigation of the mechanical behavior of multi-layered graphyne and its family under tensile loading
S Rouhi, H Pourmirzaagha - Journal of Molecular Graphics and Modelling, 2018 - Elsevier
This paper aims to study the mechanical properties of the multi-layered graphyne and other
members of the graphyne family under the uniaxial tensile loading. For this purpose …
members of the graphyne family under the uniaxial tensile loading. For this purpose …
On the elastic and fracture properties of perfect and defective δ-graphynes: a molecular dynamics investigation
S Rouhi - Journal of Alloys and Compounds, 2017 - Elsevier
Molecular dynamics simulations are used to study the mechanical properties of a new kind
of graphyne, named as δ-graphyne. For this purpose, the unidirectional loading are applied …
of graphyne, named as δ-graphyne. For this purpose, the unidirectional loading are applied …
Effect of hydrogen coverage on the buckling of penta-graphene by molecular dynamics simulation
S Ebrahimi - Molecular Simulation, 2016 - Taylor & Francis
By employing a series of MD simulations, buckling behaviour of penta-graphene and
functionalised penta-graphene having different hydrogen (H) coverage is presented in this …
functionalised penta-graphene having different hydrogen (H) coverage is presented in this …
On the thermal conductivity of the α2-graphyne nanotubes: A molecular dynamics investigation
H Pourmirzaagha - Mechanics of Advanced Materials and …, 2022 - Taylor & Francis
In this paper, the thermal conductivity characteristics of the α2-graphyne nanotubes are
investigated. Molecular dynamics simulations are used for this purpose. The influences of …
investigated. Molecular dynamics simulations are used for this purpose. The influences of …