Related papers: Local modes, phonons, and mass transport in solid …
Phonons are the main heat carriers in semiconductor devices. In small devices, heat is not driven by a local temperature gradient, but by local points of heat input and removal. This complicates theoretical modeling. Study of the…
We describe the electro-thermal transport in metallic carbon nanotubes (m-CNTs) by a semi-classical approach that takes into account the high-field dynamical interdependence between charge carrier and phonon populations. Our model is based…
Local modes caused by defects play a significant role in the thermal transport properties of thermoelectrics. Of particular interest are charge-neutral defects that suppress thermal conductivity, without significantly reducing electrical…
We analyze the formation of one-dimensional localized patterns in a nonlinear dissipative medium including a set of two narrow "hot spots" (HSs), which carry the linear gain, local potential, cubic self-interaction, and cubic loss, while…
Quantum transport in disordered systems is studied using a polaron-based master equation. The polaron approach is capable of bridging the results from the coherent band-like transport regime governed by the Redfield equation to incoherent…
The effect of coordination on transport is investigated theoretically using random networks of springs as model systems. An effective medium approximation is made to compute the density of states of the vibrational modes, their energy…
Phonon coherence elucidates the propagation and interaction of phonon quantum states within superlattice, unveiling the wave-like nature and collective behaviors of phonons. Taking MoSe$_2$/WSe$_2$ lateral heterostructures as a model…
We report a Molecular Dynamics study of homogenous bubble nucleation in a Lennard-Jones fluid. The rate of bubble nucleation is estimated using forward-flux sampling (FFS). We find that cavitation starts with compact bubbles rather than…
We present a comprehensive study of Vicsek-style self-propelled particle models in two and three space dimensions. The onset of collective motion in such stochastic models with only local alignment interactions is studied in detail and…
We have studied the interplay of a local phonon mode embedded in a metallic host (Holstein impurity model) using Abelian bosonization. The phonon frequency softens, which takes place in two steps: first, their frequency starts softening,…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
We report on dynamical quantum transport simulations for realistic molecular devices based on an approximate formulation of time-dependent Density Functional Theory with open boundary conditions. The method allows for the computation of…
The optical properties of defects in solids produce rich physics, from gemstone coloration to single-photon emission for quantum networks. Essential to describing optical transitions is electron-phonon coupling, which can be predicted from…
We investigate a many-body localization transition based on a Boltzmann transport theory. Introducing weak localization corrections into a Boltzmann equation, Hershfield and Ambegaokar re-derived the Wolfle-Vollhardt self-consistent…
We demonstrate the controlled coherent transport and splitting of atomic wave packets in spin-dependent optical lattice potentials. Such experiments open intriguing possibilities for quantum state engineering of many body states. After…
In this paper, we present a Hamiltonian and thermodynamic theory of heat transport on various levels of description. Transport of heat is formulated within kinetic theory of polarized phonons, kinetic theory of unpolarized phonons,…
We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…
By using nonequilibrium Green's functions and the equation of motion method, we formulate a self-consistent field theory for the electron transport through a single molecular junction (SMJ) coupled with a vibrational mode. We show that the…
We consider transport through a vibrating molecular quantum dot contacted to macroscopic leads acting as charge reservoirs. In the equilibrium and nonequilibrium regime, we study the formation of a polaron-like transient state at the…
Recent experiments show the thermal growth of dislocation lines in unlta-pure bcc $^{3}$He. The activation energy for the growth of the dislocation lines is found to agree with the activation energy of mass diffusion. We propose that these…