相关论文: Thermal rectification and interface thermal resist…
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 ordered way and was synthesized recently (Science 360…
Thermal rectifiers are devices that have different thermal conductivities in opposing directions of heat flow. The realization of practical thermal rectifiers relies significantly on a sound understanding of the underlying mechanisms of…
We perform molecular dynamics (MD) simulations with phonon spectral analysis aiming at understanding the two dimensional (2D) thermal transport in suspended and supported graphene. Within the framework of equilibrium MD simulations, we…
In this study, a newly pillared black phosphorene hybrid nanostructures (PBP) is constructed with its thermal stability as well as thermal conductivity are studied by performing equilibrium molecular dynamics simulation (EMD). The results…
In this work, a thermal rectification ratio $\eta$ of 18.5% was observed in partially perforated graphene with the use of Molecular Dynamics (MD) simulations. In all cases studied here, heat preferentially flows from the porous to the…
Despite the importance of high thermal conductance (i.e. low thermal resistance) of metal contacts to thermal management of graphene devices, prior reported thermal conductance of metal/graphene interfaces are all relatively low, only 20-40…
We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. Graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission…
The authors report on synthesis and thermal properties of the electrically-conductive thermal interface materials with the hybrid graphene-metal particle fillers. The thermal conductivity of resulting composites was increased by ~500% in a…
Thermal conductance of metal contacts on transferred graphene (trG) could be significantly reduced from the intrinsic value of similar contacts on as-grown graphene (grG), due to additional resistance by increased roughness, residues,…
Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…
In this work using non-equilibrium molecular dynamics simulation we implement a series of simulation under positive and negative temperature gradient in order to investigate the thermal rectification in the graphene C3B junction GCB. The…
Thermal properties of graphene monolayers are studied by path-integral molecular dynamics (PIMD) simulations, which take into account the quantization of vibrational modes in the crystalline membrane, and allow one to consider anharmonic…
Twisted bilayer graphene (tBLG) is two graphene layers placed on top of each other with a twist angle, making it has tunable thermal properties. In this paper, we report an analysis of thermal conductivity ($\kappa$), phonon density of…
Finite-temperature properties of graphene monolayers under tensile stress have been studied by path-integral molecular dynamics (PIMD) simulations. This method allows one to consider the quantization of vibrational modes in these…
In this letter we study thermal conduction in mass-graded graphene flakes by nonequilibrium molecular dynamics simulations. It is found that mass-graded graphene flakes reveal no thermal rectification effect in thermal conduction process.…
Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform…
We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with…
We present a thermal device based on the near-field interaction between two substrates made of a polar and a metal-insulator-transition material. As a result of the temperature dependence of the optical properties, this device acts as a…
In this paper, heat flux in graphene nano ribbons has been studied by using molecular dynamics simulations. It is found that the heat flux runs preferentially along the direction of decreasing width, which demonstrates significant thermal…
The author reports an experimental study of electrical and thermal transport in reduced graphene oxide (RGO)/polystyrene (PS) composites. The electrical conductivity ($\sigma$) of RGO/PS composites with different RGO concentrations at room…