87 citations · 763 across the 25 of their papers we have counts for
8 papers · 1 filter
Interfacial thermal conductance between TiO2 nanoparticle and water: A molecular dynamics study
Mahdi Roodbari, Mohsen Abbasi, Saeed Arabha +2
The interfacial thermal conductance (Kapitza conductance) between a TiO2 nanoparticle and water is investigated using transient non-equilibrium molecular dynamics. It is found that…
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…
Learning the Hydrophilic, Hydrophobic and Aromatic Character of Amino Acids from their Interfacial Thermal Conductance in Water
Heydar Hamzi, Ali Rajabpour, Édgar Roldán +1
In this study, the thermal relaxation of the 20 naturally occurring amino-acids in water is investigated using transient non-equilibrium molecular-dynamics simulations. By modeling…
Thermal transport in van der Waals graphene/boron-nitride structure: a molecular dynamics study
M. Sadegh Alborzi, Ali Rajabpour
Among the van der Waals heterostructures, graphene/h-BN heterostructure is an appropriate candidate for 2D nanoelectronic devices. In this paper, using non-equilibrium molecular dy…
Enhanced local viscosity around colloidal nanoparticles probed by Equilibrium Molecular Dynamics Simulations
Reza Rabani, Mohammad Hassan Saidi, Laurent Joly +2
Nanofluids; dispersions of nanometer-sized particles in a liquid medium; have been proposed for a wide variety of thermal management applications. It is known that a solid-like nan…
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…