Related papers: Reduced thermal conductivity in molecular forests
Recently, three-component new fermions in topological semimetal MoP are experimentally observed, which may have potential applications like topological qubits, low-power electronics and spintronics. These are closely related to thermal…
We present a first-principles study of the cross-plane thermal conductivity $\kappa_{\perp}$ in a wide variety of semiconductor thin films. We introduce a simple suppression model that matches variance-reduced Monte Carlo simulations with…
Simulation of transport properties of confined, low-dimensional fluids can be performed efficiently by means of Multi-Particle Collision (MPC) dynamics with suitable thermal-wall boundary conditions. We illustrate the effectiveness of the…
We study heat conduction in one dimensional mass disordered harmonic and anharmonic lattices. It is found that the thermal conductivity $\kappa$ of the disordered anharmonic lattice is finite at low temperature, whereas it diverges as…
Layered two-dimensional (2D) materials have highly anisotropic thermal properties between the in-plane and cross-plane directions. In general, it is thought that cross-plane thermal conductivities ($\kappa_z$) are low, and therefore c-axis…
Vapour-deposited organic glasses are currently in use in many optoelectronic devices. Their operation temperature is limited by the glass transition temperature of the organic layers and thermal management strategies become increasingly…
Fluids confined within narrow channels exhibit a variety of phases and phase transitions associated with their reduced dimensionality. In this review paper, we illustrate the crossover from quasi-one dimensional to higher effective…
We use non-equilibrium molecular dynamics simulations to study the adverse role of defects including isotopic impurities on the thermal conductivity of carbon nanotubes, graphene and graphene nanoribbons. We find that even in structurally…
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…
We evaluate the impact of acoustic Mie resonance in nanoparticles on the thermal conductivity of semiconductor and polymer composites. By appropriately choosing the bulk modulus and density, and selecting the size of the nanoparticle to…
Thermal properties of covalent organic frameworks (COFs) are of fundamental interest owing to exceptional heat conduction properties. Recent studies have suggested that their thermal conductivities can be enhanced by multiple factors such…
Two-dimensional (2D) crystals proved revolutionary soon after graphene was discovered in 2004. However, 2D amorphous materials only became accessible in 2020 and remain largely unexplored. In particular, the thermophysical properties of…
Tuning the heat flow is fundamentally important for the design of advanced functional materials. Here, polymers are of particular importance because they provide different pathways for the energy transfer. More specifically, the heat flow…
The amorphous solids can be theoretically modeled by anharmonic disordered lattices. However, most of theoretical studies on thermal conductivity in anharmonic disordered lattices only focus on the potentials of hard-type (HT)…
Several hitherto unexplained features of thermal conductivity in group IV materials, such as the change in the slope as a function of sample size for pure vs. alloyed samples and the fast decay in thermal conductivity for low impurity…
We study the thermal transport properties of several quantum spin chains and ladders. We find indications for a diverging thermal conductivity at finite temperatures for the models examined. The temperature at which the non-diverging…
Disordered forms of carbon are an important class of materials for applications such as thermal management. However, a comprehensive theoretical understanding of the structural dependence of thermal transport and the underlying microscopic…
Nanostructuring on length scales corresponding to phonon mean free paths provides control over heat flow in semiconductors and makes it possible to engineer their thermal properties. However, the influence of boundaries limits the validity…
We theoretically compute the interface thermal resistance between crossing single walled carbon nanotubes of various chiralities, using an atomistic Green's function approach with semi-empirical potentials. The results are then used to…
We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. The problem is…