Related papers: Experimental metrology to obtain thermal phonon tr…

Using molecular dynamics (MD) with classical interaction potentials we present calculations of thermal conductivity and heat transport in crystals and glasses. Inducing shock waves and heat pulses into the systems we study the spreading of…

Phonon transport across a vacuum gap separating intrinsic silicon crystals is predicted via the atomistic Green's function method combined with first-principles calculations of all interatomic force constants. The overlap of electron wave…

Existing theoretical models of the interfacial thermal conductance, i.e., Kapitza conductance, of insulating solid-fluid interfaces only consider bulk properties, e.g., acoustic mismatch model and diffuse mismatch model. In this work, we…

Several model fluids in contact with planar, spherical, and cylindrical walls are investigated for small number densities within density functional theory. The dependence of the solid-fluid interfacial tension on the curvature of spherical…

Topological phase transitions occur when the electronic bands change their topological properties, typically featuring the closing of the bandgap. While the influence of topological phase transitions on electronic and optical properties has…

The phonon contribution to the thermal conductivity at low temperature in superconductors with line nodes is calculated assuming that scattering by both nodal quasiparticles and the sample boundaries is significant. It is determined that,…

API Phonons is a Python software package to predict the transport dynamics of heat-carrying phonons. Using the powerful syntax of Python, this package provides modules and functions interfacing between different packages for atomistic…

Electrical and thermal transport across material interfaces is key for 2D electronics in semiconductor technology, yet their relationship remains largely unknown. We report a theoretical proposal to separate electronic and phononic…

The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…

We consider a single level quantum dot interacting with a phonon mode and weakly coupled to metallic leads which are subjected to a time dependent gate voltage. Electrical conductance, thermopower, and figure of merit are investigated in…

In this study, we employ the atomistic wave-packet method to directly simulate coherent phonon transport and scattering dynamics in an aperiodic superlattice structure with aperiodically arranged interfaces. Our investigation reveals that…

Ion transport across solid solid interfaces is often slower than through the bulk of a material, impeding the charge and discharge rate of batteries. Designing highly conductive interfaces is challenging due to the need to probe ion…

Properties of phonons - quanta of the crystal lattice vibrations - in graphene have attracted strong attention of the physics and engineering communities. Acoustic phonons are the main heat carriers in graphene near room temperature while…

Temperature field contactless measurements in or at the surfaces of semitransparent media are a scientific challenge, as classical thermography techniques based on proper material emission cannot be used. In this work, an alternative method…

Thermal boundary resistance is a critical quantity that controls heat transfer at the nanoscale, which is primarily related to interfacial phonon scattering. Here, we combine lattice dynamics calculations and inputs from first principles ab…

We investigate the anharmonic phonon scattering across a weakly interacting interface by developing a quantum mechanics-based theory. We find that the contribution from anharmonic three-phonon scatterings to interfacial thermal conductance…

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…

First-principles calculations of thermal transport in homogeneous materials have reached remarkable predicting power. Modeling deterministically phonon transport in nanostructures, however, poses novel challenges; notably, it entails…

Phonons, the quanta of lattice vibrations, are primary heat carriers for semiconductors and dielectrics. The demand of effective phonon manipulation urgently emerges, because the thermal management is crucial for the ongoing development of…

Accurate evaluation of buried thermal interfaces is vital for understanding and optimizing heat dissipation in wide- and ultra-wide-bandgap (WBG/UWBG) semiconductor devices. Conventional time-domain thermoreflectance (TDTR) typically probes…