Related papers: Propagating elastic vibrations dominate thermal co…
Understanding the thermal vibrations and thermal transport in amorphous materials is an important but long-standing issue in several theoretical and practical fields. Using direct molecular dynamic simulations, we demonstrate that the…
Some aspects of how sound waves travel through disordered solids are still unclear. Recent work has characterized a feature of disordered solids which seems to influence vibrational excitations at the mesoscales, local elastic…
Normal mode decomposition of atomic vibrations has been used to provide microscopic under-standing of thermal transport in amorphous solids for decades. In normal mode methods, it is naturally assumed that atoms vibrate around their…
Using direct atomic simulations, the vibration scattering time scales are characterized, and then the nature and the quantitative weight of thermal excitations are investigated in an example system Li2S from its amorphous solid state to its…
In this work, we study the elastic scattering behavior of electron vortices when propagating through amorphous samples. We use a formulation of the multislice approach in cylindrical coordinates to theoretically investigate the…
While there are several methods, e.g., anharmonic lattice dynamics and normal mode decomposition, to compute the modal lattice vibrational information in perfect crystals, the modal information of vibrations, e.g., vibrational relaxation…
Thermal transport properties of amorphous carbon has attracted increasing attention due to its extreme thermal properties: It has been reported to have among the highest thermal conductivity for bulk amorphous solids up to $\sim$ 37…
Hydrogenated amorphous silicon (a-Si:H) has garnered considerable attention in the semiconductor industry, particularly for its use in solar cells and passivation layers for high performance silicon solar cells, owing to its exceptional…
A one-dimensional wave propagation through elastically asymmetric media is investigated. A class of metamaterials possessing an arbitrary elastic asymmetry is proposed. This asymmetry results in different wave speeds of tensile and…
Numerical studies of amorphous silicon show that the lowest 4% of vibrational modes are plane-wave like ("propagons") and the highest 3% of modes are localized ("locons"). The rest are neither plane-wave like nor localized. We call them…
Using a nonperturbative classical model for ionic motion through one-dimensional (1D) solids, we explore how thermal lattice vibrations affect ionic transport properties. Based on analytic and numerical calculations, we find that the mean…
Amorphous silica (a-SiO$_2$) is a foundational disordered material for which the thermal transport properties are important for various applications. To accurately model the interatomic interactions in classical molecular dynamics (MD)…
Detailed understanding of vibrational heat transfer mechanisms between solids is essential for the efficient thermal engineering and control of nanomaterials. We investigate the frequency dependence of anharmonic scattering and interfacial…
Thermal transport in solids changes its nature from phonon propagation that suffers from perturbative scattering to thermally activated hops between localized vibrational modes as the level of disorder increases. Models have been proposed…
Heat dissipation is ubiquitous in living systems, which constantly convert distinct forms of energy into each other. The transport of thermal energy in liquids and even within proteins is well understood but kinetic energy transfer across a…
In crystals, molecules thermally vibrate around the periodic lattice sites. Vibrational motions are well understood in terms of phonons, which carry heat and control heat transport. The situation is notably different in disordered solids,…
Heat transfer at the interface between two materials is becoming increasingly important as the size of electronic devices shrinks. Most studies concentrate on the interfacial thermal conductance between either crystalline-crystalline or…
The free propagation of acoustic plane waves through cellular periodic materials is generally accompanied by a flow of mechanical energy across the adjacent cells. The paper focuses on the energy transport related to dispersive waves…
In this paper anisotropic and dispersive wave propagation within linear strain-gradient elasticity is investigated. This analysis reveals significant features of this extended theory of continuum elasticity. First, and contrarily to…
We report first principles ab initio density functional calculations of hydrogen dynam- ics in hydrogenated amorphous silicon. Thermal motion of the host Si atoms drives H diffusion, as we demonstrate by direct simulation and explain with…