output
20102026
most citedOutstanding strength, optical characteristics and thermal conductivity of graphene-like BC and BCN semiconductors

179 citations

Showing 2021Show all

9 papers · 1 filter

cond-mat.mtrl-sci2021★ 1 cited

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…

cond-mat.mtrl-sci2021★ 66 cited

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…

cond-mat.soft2021★ 11 cited

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…

cond-mat.mtrl-sci2021★ 1 cited

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…

cond-mat.soft2021

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…

cond-mat.mtrl-sci2021★ 38 cited

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…

math.OC2021★ 6 cited

Optimality conditions for robust nonsmooth multiobjective optimization problems in Asplund spaces

Maryam Saadati, Morteza Oveisiha

We employ a fuzzy optimality condition for the Frechet subdifferential and some advanced techniques of variational analysis such as formulae for the subdifferentials of an infinite…

cond-mat.mtrl-sci2021★ 25 cited

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…

physics.app-ph2021★ 29 cited

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…