87 citations · 763 across the 25 of their papers we have counts for
25 papers
Accurate estimation of interfacial thermal conductance between silicon and diamond enabled by a machine learning interatomic potential
Ali Rajabpour, Bohayra Mortazavi, Pedram Mirchi +4
Thermal management at silicon-diamond interface is critical for advancing high-performance electronic and optoelectronic devices. In this study, we calculate the interfacial therma…
Lattice thermal conductivity and mechanical properties of the single-layer penta-NiN2 explored by a deep-learning interatomic potential
Pedram Mirchi, Christophe Adessi, Samy Merabia +1
Penta-NiN2, a novel pentagonal 2D sheet with potential nanoelectronic applications, is investigated in terms of its lattice thermal conductivity, stability, and mechanical behavior…
Extreme near-field heat transfer between silica surfaces
Ali Rajabpour, Julien El Hajj, Mauricio Gómez Viloria +4
Despite recent experiments exhibiting an impressive enhancement in radiative heat flux between parallel planar silica surfaces with gap sizes of about 10 nm, the exploration of sub…
Enhanced interfacial thermal conductance in functionalized Boron Nitride/Polylactic acid nanocomposite: A molecular dynamics study
Ghazal Jamirad, Abbas Montazeri, Ali Rajabpour
The relatively low thermal conductivity of biodegradable polylactic acid (PLA) has limited its applications in various fields. To address this issue, the incorporation of nanofille…
Enhanced Interfacial Thermal Conductance between Charged Nanoparticle and Aqueous Electrolyte
Reza Rabani, Mohammad Hassan Saidi, Ali Rajabpour +2
Heat transfer through the interface between a metallic nanoparticle and an electrolyte solution, has great importance in a number of applications, ranging from nanoparticle-based c…
Nonreciprocal nanoparticle refrigerators: design principles and constraints
Sarah A. M. Loos, Saeed Arabha, Ali Rajabpour +2
We study the heat transfer between two nanoparticles held at different temperatures that interact through nonreciprocal forces, by combining molecular dynamics simulations with sto…
Lattice thermal conductivity and elastic modulus of XN4 (X=Be, Mg and Pt) 2D materials using machine learning interatomic potentials
K. Ghorbani, P. Mirchi, S. Arabha +2
The newly synthesized BeN4 monolayer has introduced a novel group of 2D materials called nitrogen-rich 2D materials. In the present study, the anisotropic mechanical and thermal pr…
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…
Effect of graphene and carbon-nitride nanofillers on the thermal transport properties of polymer nanocomposites: A combined molecular dynamics and finite element study
Leila Razzaghi, Maryam Khalkhali, Ali Rajabpour +1
Low thermal conductivity of polymers, which is one of the considerable drawbacks of commonly used composite structures, has been the focus of many researchers aiming to achieve hig…
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…
Thermal conductivity and thermal rectification of nanoporous graphene: A molecular dynamics simulation
Farrokh Yousefi, Farhad Khoeini, Ali Rajabpour
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an…
The effect of water/carbon interaction strength on interfacial thermal resistance and the surrounding molecular nanolayer of CNT and graphene nanoparticles
Fatemeh Jabbari, Ali Rajabpour, Seyfollah Saedodin +1
Heat transfer at the liquid/solid interface, especially at the nanoscale, has enormous importance in nanofluids. This study investigates liquid/solid interfacial thermal resistance…
Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study
Ali Rajabpour, Roham Seif, Saeed Arabha +3
Heat transfer between a silver nanoparticle and surrounding water has been studied using molecular dynamics (MD) simulations. The thermal conductance (Kapitza conductance) at the i…
Thermal transport across grain boundaries in polycrystalline silicene: a multiscale modeling
Maryam Khalkhali, Ali Rajabpour, Farhad Khoeini
During the fabrication process of large scale silicene through common chemical vapor deposition (CVD) technique, polycrystalline films are quite likely to be produced, and the exis…
Thermal transport in silicene nanotubes: Effects of length, grain boundary and strain
Maryam Khalkhali, Farhad Khoeini, Ali Rajabpour
Thermal transport behavior in silicene nanotubes has become more important due to the application of these promising nanostructures in the engineering of next-generation nanoelectr…
Inter-layer and Intra-layer Heat Transfer in Bilayer/Monolayer Graphene van der Waals Heterostructure: Is There a Kapitza Resistance Analogous?
Ali Rajabpour, Zheyong Fan, S. Mehdi Vaez Allaei
Van der Waals heterostructures have exhibited interesting physical properties. In this paper, heat transfer in hybrid coplanar bilayer/monolayer (BL-ML) graphene, as a model layere…