相关论文: Dislocation drag from phonon wind in an isotropic …
We present a combined treatment of the non-equilibrium dynamics and transport of electrons and phonons by carrying out \textit{ab initio} calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the…
A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy…
The intrinsic charge transport of stanene is investigated by using density function theory and density function perturbation theory coupled with Boltzmann transport equations from first principles. The accurate Wannier interpolations are…
The motion of line defects (dislocations) has been studied for over 60 years but the maximum speed at which they can move is unresolved. Recent models and atomistic simulations predict the existence of a limiting velocity of dislocation…
We present a statistical analysis of the acoustic emissions induced by dislocation motion during the creep of ice single crystals. The recorded acoustic waves provide an indirect measure of the inelastic energy dissipated during dislocation…
The impact of dispersion relations, anisotropy, and Brillouin zone structure on intrinsic phonon scattering rates has been assessed within the harmonic approximation-perturbation theory approach for lattice dynamics. Anisotropic nonlinear…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
A novel implementation of the dislocation flux boundary condition in discrete dislocation dynamics is presented. The continuity of the individual dislocation loops in a periodic representative crystal volume (RVE) is enforced across the…
Natural materials usually consist of isotopic mixtures, for which different isotopic ratios can lead to distinct material properties such as thermal conductivity and nucleation process. However, the knowledge of isotopic interface remains…
The viscoplastic deformation (creep) of crystalline materials under constant stress involves the motion of a large number of interacting dislocations. Analytical methods and sophisticated `dislocation-dynamics' simulations have proved very…
The plasticity transition at the yield strength of a crystal typically signifies the tendency of dislocation defects towards relatively unrestricted motion. For an isolated dislocation the motion is in the slip plane with velocity…
The phonon dispersion relations of crystal lattices can often be well-described with the harmonic approximation. However, when the potential energy landscape exhibits more anharmonicity, for instance, in case of a weakly bonded crystal or…
We study theoretically the non-equilibrium exciton transport in monolayer transition metal dichalcogenides. We consider the situation where excitons interact with non-equilibrium phonons, e.g., under the conditions of localized excitation…
We have studied the internal friction and the relative change in the speed of sound of amorphous diamond-like carbon films prepared by pulsed-laser deposition from 0.3 K to room temperature. Like the most of amorphous solids, the internal…
Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent the aforementioned challenge via the generalized…
Because of the enormous range of time and space scales involved in dislocation dynamics, plastic modeling at macroscale requires a continuous formulation. In this paper, we present a rigorous formulation of the transition between the…
Classical thermal transport theories that preserve rotational symmetry, predict strong anharmonic scattering of out-of-plane lattice vibrational modes called flexural phonons in flat suspended graphene sheets. Such strong scattering…
We consider diffusion of vibrations in 3d harmonic lattices with strong force-constant disorder. Above some frequency w_IR, corresponding to the Ioffe-Regel crossover, notion of phonons becomes ill defined. They cannot propagate through the…
Distinctive normal-state properties of cuprate superconductors follow from their charge carriers forming a large-bipolaron liquid. The very weak scattering of the slow-moving heavy-massed excitations of the liquid by acoustic phonons yields…
Starting from a prototypical model of elasto-plasticity in the small-strain and quasi-static setting, where the evolution of the plastic distortion is driven exclusively by the motion of discrete dislocations, this work performs a rigorous…