Related papers: Multiscale phonon blocking in Si phononic crystal …
To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…
There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic…
Despite recent progress in the first-principles calculations and measurements of phonon mean-free-paths (MFPs), contribution of low-energy phonons to heat conduction in silicon is still inconclusive, as exemplified by the discrepancies…
Due to the rapid development of micro- and nano-manufacturing and electronic devices, heat transfer at the transition regime between radiation and conduction becomes increasingly important. Recent work has demonstrated the importance of…
Heat conduction in graphite has been studied for decades because of its exceptionally large thermal anisotropy. While the bulk thermal conductivities along the in-plane and cross-plane directions are well known, less understood are the…
Traditional models of interfacial phonon scattering, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), take into account the bulk properties of the material surrounding the interface, but not the atomic structure…
Power dissipation has become a major obstacle in performance scaling of modern integrated circuits, and has spurred the search for devices operating at lower voltage swing. In this letter, we study p-i-n band-to-band tunneling field effect…
We calculate the thermal conductivity of free-standing silicene using the phonon Boltzmann transport equation within the relaxation time approximation. In this calculation, we investigate the effects of sample size and different scattering…
Nanograined bulk alloys based on bismuth telluride (Bi2Te3) are the dominant materials for room-temperature thermoelectric applications. In numerous studies, existing bulk phonon mean free path (MFP) spectra predicted by atomistic…
We study the size dependence of thermal conductivity in nanoscale semiconducting systems. An analytical formula including the surface scattering and the size confinement effects of phonon transport is derived. The theoretical formula gives…
We propose a new theoretical approach to analyze the experimental data for thermal conductivity of single-grain $i$-AlPdMn quasicrystals. The interpretation is based on the picture where cluster interfaces are the main source of phonon…
Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…
First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…
We use atomistic simulations to study the resonant acoustic modes and compare different calculations of the acoustic mean-free path in amorphous systems with nanometric crystalline spherical inclusions. We show that the resonant acoustic…
The anisotropic thermal conductivity and the phonon mean free path (mfp) in monoclinic $\beta$-Ga$_2$O$_3$ single crystals and homoepitaxial films of several $\mu$m were determined using the 3$\omega$-method in the temperature range from…
Nanoporous materials are a promising platform for thermoelectrics in that they offer high thermal conductivity tunability while preserving good electrical properties, a crucial requirement for high- effciency thermal energy conversion.…
By using non-equilibrium molecular dynamics simulations(NEMD), the modulation on temperature dependence of thermal conductivity of graphene phononic crystals (GPnCs) are investigated. It is found that the temperature dependence of thermal…
Phononic silicon structures have emerged as an integrable and scalable nanosystem for tailoring thermal transport. However, their widespread adoption has been limited by their complex fabrication pathways. Alongside, the reliable…
There is still a gap in understanding phonons scattering by geometrical defects at the nanoscale, and it remains a significant challenge for heat transfer management in nanoscale devices and systems. In this study, we aim to explore the…
We present atomistic valence force field calculations of thermal transport in Si nanowires of diameters from 12nm down to 1nm. We show that as the diameter is reduced, the phonon density-of-states and transmission function acquire a finite…