Related papers: Passing Waves from Atomistic to Continuum
The discrete rotational symmetry of crystals leads to the conservation of quantized angular momentum in solids. While the exchange of energy and linear momentum between lattice vibrations (phonons) via anharmonic coupling is a cornerstone…
The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…
Atomistic methods have successfully modeled different aspects of shock wave propagation in mate-rials over the past several decades, but they suffer from limitations which restrict the total runtime and system size. Multiscale methods have…
We formulate and study the effective low-energy quantum theory of interacting long-wavelength acoustic phonons in carbon nanotubes within the framework of continuum elasticity theory. A general and analytical derivation of all three- and…
A sudden change in material properties creates a temporal interface and forces a propagating wave to change its frequency while preserving its wavenumber. In contrast to monoatomic lattices with a single frequency-wavenumber pair,…
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simulation is most commonly handled using a tight-binding…
Anharmonic lattice vibrations play a key role in many physical phenomena. They govern the heat conductivity of solids, strongly affect the phonon spectra, play a prominent role in soft mode phase transitions, allow ultrafast engineering of…
The exposure to intense electromagnetic radiation can induce distortions and symmetry breaking in the crystal structure of solids, providing a route for the all-optical control of their properties. In this manuscript, we formulate a unified…
We study thermal transport in a chain of coupled atoms, which can vibrate in longitudinal as well as transverse directions. The particles interact through anharmonic potentials upto cubic order. The problem is treated quantum mechanically.…
Problems of heat transport are ubiquitous to various technologies such as power generation, cooling, electronics, and thermoelectrics. In this paper we advocate for the application of the quantum self-consistent reservoir method, which is…
Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…
One-dimensional particle chains are fundamental models to explain anomalous thermal conduction in low-dimensional solids like nanotubes and nanowires. In these systems the thermal energy is carried by phonons, i.e. propagating lattice…
In the transmon qubit we expect from conservation of momentum and energy a coupling between the plasma oscillations and the vibrations of the underlying lattice. Specifically, the electron velocities and their kinetic energy density are…
Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…
The transmission of acoustic phonons is an important element in the design and performance of nano-mechanical devices operating in the mesoscopic limit. Analytic expressions for the power transmission coefficient, T, exist only in the…
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…
We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…
The coherent states that describe the classical motion of a mechanical oscillator do not have well-defined energy, but are rather quantum superpositions of equally-spaced energy eigenstates. Revealing this quantized structure is only…
An accurate and easily extendable method to deal with lattice dynamics of solids is offered. It is based on first-principles molecular dynamics simulations and provides a consistent way to extract the best possible harmonic - or higher…
Nonlinear phononics is the phenomenon in which a coherent dynamics in a material along a set of phonons is launched after its infrared-active phonons are selectively excited using external light pulses. The microscopic mechanism underlying…