87 citations · 302 across the 6 of their papers we have counts for
10 papers
Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials
Bohayra Mortazavi, Ali Rajabpour, Xiaoying Zhuang +2
Examination of thermal expansion of two-dimensional (2D) nanomaterials is a challenging theoretical task with either ab-initio or classical molecular dynamics simulations. In this…
Thermo-mechanical properties of nitrogenated holey graphene (C2N): A comparison of machine-learning-based and classical interatomic potentials
Saeed Arabha, Ali Rajabpour
Thermal and mechanical properties of two-dimensional nanomaterials are commonly studied by calculating force constants using the density functional theory (DFT) and classical molec…
Thermal transport in two-dimensional C3N/C2N superlattices: A molecular dynamics approach
Leila Razzaghi, Farhad Khoeini, Ali Rajabpour +1
Nanostructured superlattices have been the focus of many researchers due to their physical and manipulatable properties. They aim to find promising materials for new electronic and…
Molecular dynamic simulation on the density of titanium dioxide and silver water-based nanofluids
M. M. Heyhat, M. Abbasi, A. Rajabpour
This study utilizes molecular dynamics simulations to scrutinize the influence of type and volume fraction of nanoparticle on the density of nanofluids, i.e. silver (as a hydrophil…
Thermal conductivity of graphene polymorphs and compounds: from C3N to graphdiyne lattices
S. Milad Hatam-Lee, Ali Rajabpour, Sebastian Volz
Tremendous experimental and theoretical attempts to find carbon based two-dimensional semiconductors have yielded a wide variety of graphene polymorphs, such as carbon-nitride, car…
Thermal rectification and interface thermal resistance in hybrid pillared-graphene and graphene: A molecular dynamics approach
Farrokh Yousefi, Farhad Khoeini, Ali Rajabpour
In this study, we investigate the thermal rectification and thermal resistance in the hybrid pillared-graphene and graphene (PGG) system. This is done through the classical molecul…