相关论文: Characteristics of phonon transmission across epit…
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 derive expression for energy flux in terms of lattice normal mode coordinates. Energy transmission across solid junctions from lattice dynamic point of view is given and its relation with atomic masses, lattice constants, and group…
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…
Understanding heat transfer across solid-liquid interfaces is central to thermal management and energy technologies, yet whether the interfacial thermal conductance (ITC) depends on the timescale of heating remains unclear. Here we use…
A new method is introduced for calculation of interfacial thermal resistance in the case of heat transport through the interface by phonons. A unique feature of the method is taking into account all the consequences of a non-equilibrium…
Phonon transport of recently-fabricated $\mathrm{Na_2He}$ at high pressure is investigated from a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation…
Generic properties of elastic phonon transport at a disordered interface are studied. The results show that phonon transmittance is a strong function of frequency and the disorder correlation length. At frequencies lower than the van Hove…
A first-principles density functional method along with the direct solution of linearized Boltzmann transport equations are employed to systematically analyze the low-temperature thermal transport in crystalline GeTe. The extensive thermal…
We study ballistic interfacial thermal transport across atomic junctions. Exact expressions for phonon transmission coefficients are derived for thermal transport in one-junction and two-junction chains, and verified by numerical…
We study the thermal boundary conduction in one-dimensional harmonic and $\phi^{4}$ lattices, both of which consist of two segments coupled by a harmonic interaction. For the ballistic interfacial heat transport through the harmonic…
Phonon transmission across an interface between dissimilar crystalline solids is calculated using molecular dynamics simulations with interatomic force constants obtained from first principles. The results reveal that although inelastic…
Kapitza thermal resistance is a common feature of material interfaces. It is defined as the ratio of the thermal drop at the interface to the heat flux flowing across the interface. One expects that this resistance will depend on the…
The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role in thermal/electrical transport properties in devices…
We study the effect of the electron-phonon interaction on the finite frequency dependent electronic thermal conductivity of two dimensional graphene. We calculate it for various acoustic phonons present in graphene and characterized by…
Using the phonon Boltzmann transport formalism and density functional theory based calculations, we show that stanene has a low thermal conductivity. For a sample size of 1$\times$1 $\mu$m$^{2}$ ($L\times W$), the lattice thermal…
The lattice thermal conductivity of graphene is evaluated using a microscopic model that takes into account the lattice's discrete nature and the phonon dispersion relation within the Brillouin zone. The Boltzmann transport equation is…
We theoretically elucidate the boundary conditions for phonon distribution functions of long-wavelength acoustic phonons at smooth crystal interfaces. We first derive boundary conditions that fully incorporate reflection, transmission, and…
Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport…
Current phonon transport theory based on ground-state calculations has been successful in predicting thermal conductivity at room and medium temperatures but may misrepresent behavior at high temperatures. In this work, we predict the…
Understanding phonon transport across heterojunctions is important to achieve a wide range of thermal transport properties. Using the McKelvey-Shockley flux method with first-principles modeling, we theoretically investigate the phonon…