Related papers: Tuning thermal transport in highly cross-linked po…
The dielectric environment surrounding semiconductors plays a crucial role in determining device performance, a role that becomes especially pronounced in atomically thin semiconductors where charge carriers are confined within a few atomic…
Among all the properties required for the design of the next generation of PCM (density, heat capacity, thermal expansion, latent energy, volume change upon melting, corrosion rate, etc.) the thermal transport properties are by far the…
A promising path to realizing higher superconducting transition temperatures $T_c$ is the strategic engineering of artificial heterostructures. For example, quantum materials could, in principle, be coupled with other materials to produce a…
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 dynamics simulation approach, heat transport in bilayer…
Quantum correlation and hot-carrier transport represent two fundamentally distinct regimes of electronic conduction, rarely accessible within the same device. Here, we report a state-of-the-art monolayer transition metal dichalcogenides…
In many industrial processes, pieces of the same polymer material are brought into contact at a temperature above the glass transition. Interdiffusion then takes place across the interface and leads to a strengthening of the junction.…
Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…
Quantum heat transfer through a generic superconducting set-up consisting of a tunable transmon qubit placed between resonators that are termined by thermal reservoirs is explored. Two types of architectures are considered, a sequential and…
Previous studies have suggested a crossover from superdiffusive to normal heat transport in one-dimensional (1D) anharmonic oscillator systems with a double-well type interatomic interaction like $V(\xi)=-\xi^2/2+\xi^4/4$, when the system…
The effect of topology on the collapse transition and instantaneous shape of an energy polydisperse polymer (a model heteropolymer) is studied by means of computer simulations. In particular, we consider three different chain topology,…
We study the nonlinear interfacial thermal transport across atomic junctions by the quantum self-consistent mean field (QSCMF) theory based on nonequilibrium Green's function approach; the QSCMF theory we propose is very precise and matches…
We propose to increase the superconducting transition temperature Tc of strongly correlated materials by designing heterostructures which exhibit a high pairing energy as a result of magnetic fluctuations. More precisely, applying an…
Contact electrification, or contact charging, refers to the process of static charge accumulation after rubbing, or even simple touching, of two materials. Despite its relevance in static electricity, various natural phenomena, and numerous…
Recently discovered double gamma/beta ({\gamma}/\b{eta}) polymorph Ga2O3 structures constitute a class of novel materials providing an option to modulate functional properties across interfaces without changing chemical compositions of…
The development of electronic devices, especially those that involve heterogeneous integration of materials, has led to increased challenges in addressing their thermal operational-temperature demands. The heat flow in these systems is…
We employ a three-dimensional molecular dynamics to simulate translocation of a polymer through a nanopore driven by an external force. The translocation is investigated for different three pore diameter and two different external forces.…
The poor thermal conductivity of bulk polymers may be enhanced by combining them with high thermal conductivity materials such as carbon nanotubes. Different from random doping, we find that the aligned carbon nanotube-polyethylene…
Improving interfacial thermal transport is crucial for heat dissipation in systems. Here, we design a strategy by utilizing the water adsorption-desorption process in porous metal-organic frameworks (MOFs) to tune the interfacial heat…
There are several models for the effective thermal conductivity of two-phase composite materials in terms of the conductivity of the solid and the disperse material. In this paper, we generalise three models of Maxwell type (namely, the…
Conformational phases of a semiflexible off-lattice homopolymer model near an attractive substrate are investigated by means of multicanonical computer simulations. In our polymer-substrate model, nonbonded pairs of monomers as well as…