相关论文: Thermal rectification in carbon nanotube intramole…

We report the observation of thermal rectification in a semiconductor quantum dot, as inferred from the asymmetric line shape of the thermopower oscillations. The asymmetry is observed at high in-plane magnetic fields and caused by the…

Transport properties of metal-molecule-metal junctions containing monolayer of conjugated and saturated molecules with characteristic dimensions in the range of 30-300 nm are correlated with microscopic topography, stress and chemical…

Thermal conductivity of hadron matter is studied using a microscopic transport model, which will be used to simulate ultra-relativistic heavy ion collisions at different energy densities, namely the Ultra-relativistic Quantum Molecular…

The role of interfacial nonidealities and disorder on thermal transport across interfaces is traditionally assumed to add resistance to heat transfer, decreasing the thermal boundary conductance (TBC).$^1$ However, recent computational…

The understanding of heat transport in nonequilibrium thermodynamics is an important research frontier, which is crucial for implementing novel thermodynamic devices, such as heat engines and refrigerators. The convection, conduction, and…

Metallic atomic junctions pose the ultimate limit to the scaling of electrical contacts. They serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects occurring in one-dimensional…

Rectifying thermal white noise into directed motion is generally believed to require the consumption of energy or information, as exemplified by Maxwell's demon-type feedback controllers. Here we demonstrate a molecular rectification…

We demonstrate tuning of the phononic thermal conductance in single molecules with carbon-chain backbones through modifications of terminal groups and halogen substitution of hydrogen atoms. Our simulations focus on intrinsic molecular…

We analyze an optimization problem of the conductivity in a composite material arising in a heat conduction energy storage problem. The model is described by the heat equation that specifies the heat exchange between two types of materials…

Localized heating of a gas by intense laser pulses leads to interesting acoustic, hydrodynamic and optical effects with numerous applications in science and technology, including controlled wave guiding and remote atmosphere sensing.…

Liquids spreading over a solid substrate under the action of various forces are known to exhibit a long wavelength contact line instability. We use an example of thermally driven spreading on a horizontal surface to study how the stability…

Using first principle approaches, we investigate the effects of isotope substitution on the inelastic features in the hydrogen molecular junction. We observe thatlocal heating and inelastic current have significant isotope-substitution…

Heat conduction in one-dimensional (1D) systems is studied based on an analytical S-matrix method, which is developed in the mesoscopic electronic transport theory and molecular dynamic (MD) simulations. It is found that heat conduction in…

We study current-induced vibrational cooling, heating, and instability in a donor-acceptor rectifying molecular junction using a full counting statistics approach. In our model, electron-hole pair excitations are coupled to a given…

We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…

Isotope effects on heat conduction and convection have been known for decades. However, whether thermal radiation can be isotopically engineered remains an open question. Here, we predict over 3-orders-of-magnitude variation of radiative…

In the past few decades, great efforts have been devoted to studying heat transfer on the nanoscale due to its importance in multiple technologies such as thermal control and sensing applications. Heat conduction through the nanoconfined…

Steady-state advective accretion flows in the presence of thermal conduction are studied. All three components of velocity in a spherical coordinates are considered and the flow displays both inflowing and outflowing regions according to…

The thermal properties of a material with a spatio-temporal modulation in both the thermal conductivity and the mass density are studied. The special configuration studied here consists of a modulation in a wave-like fashion. It is found…

We present the molecular hyperdynamics algorithm and its implementation to the nonorthogonal tight-binding model NTBM and the corresponding software. Due to its multiscale structure, the proposed approach provides the long time scale…