相关论文: Quantifying Modal Thermal Conductivity in Amorphou…
We report a computational study of the anharmonicity of the vibrational modes of various individual fullerenes using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater. Sci. Eng. 23 045002 (2015)] with a Tersoff-style potential…
Amorphous silicon (a-Si) is an important thermal-management material and also serves as an ideal playground for studying heat transport in strongly disordered materials. Theoretical prediction of the thermal conductivity of a-Si in a wide…
We propose a random matrix approach to describe vibrational excitations in disordered systems. The dynamical matrix M is taken in the form M=AA^T where A is some real (not generally symmetric) random matrix. It guaranties that M is a…
Accurate prediction of rock thermal conductivity under in-situ conditions is essential for characterizing subsurface heat flow. This study presents a numerical framework based on the Lattice Element Method (LEM) for simulating the effective…
We have studied the temperature dependence of diagonal conductivity in high-mobility two-dimensional samples at filling factors $\nu=1/2$ and 3/2 at low temperatures. We observe a logarithmic dependence on temperature, from our lowest…
Boltzmann transport theory, the standard framework for predicting thermal conductivity, assumes that every vibrational mode eventually scatters, acquiring a finite lifetime that yields a convergent, length-independent thermal conductivity:…
The molecular dynamics method is used to study the process of development of dynamic instability of a thin film, leading to its destruction. The calculations are performed for a thin (5 atomic layers) $fcc$ aluminum film using the…
We investigate the dynamics of clumps that coexisted with/in advection-dominated accretion flows by considering thermal conductivity. Thermal conduction can be one of the effective factors in the energy transportation of ADAFs; hence it may…
We study thermal processes in infinite harmonic crystals having a unit cell with arbitrary number of particles. Initially particles have zero displacements and random velocities, corresponding to some initial temperature profile. Our main…
With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions using classical molecular dynamics (MD) simulations. Considering…
Understanding ballistic phonon transport effects in transient thermoreflectance experiments and explaining the observed deviations from classical theory remains a challenge. Diffusion equations are simple and computationally efficient but…
The synthesis of wafer-scale two-dimensional amorphous carbon monolayers has been recently demonstrated. This material presents useful properties when integrated as coating of metals, semiconductors or magnetic materials, such as enabling…
The nonlinear formulation developed based on von Karman's assumptions is employed to study the free vibration characteristics of functionally graded material (FGM) plates subjected to thermal environment. Temperature field is assumed to be…
A method for the most efficient removal of heat, through an anisotropic composite, is proposed. It is shown that a rational placement of constituent materials, in the radial and the azimuthal variation, at a given point in the composite…
In the paper we apply asymptotic technique based on the method of stationary phase and obtain the approximate analytical description of thermal motions caused by a source on an isotopic defect of an arbitrary mass in a 1D harmonic crystal.…
With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly important. This study presents a novel method: the Site-projected Thermal Conductivity…
We present a detailed description of semi-quantum molecular dynamics simulation of stochastic dynamics of a system of interacting particles. Within this approach, the dynamics of the system is described with the use of classical Newtonian…
The electron-phonon interaction contribution to the electronic energies is included in density functional total energy calculations with ab initio pseudopotentials via the Allen formalism [Phys. Rev. B 18, 5217 (1978)] to obtain temperature…
Thermal conductivity, a fundamental parameter characterizing thermal transport in solids, is typically determined by electron and phonon transport. Although other transport properties including electrical conductivity and thermoelectric…
Previous studies have suggested a crossover from superdiffusive to normal heat transport in one-dimensional (1D) anharmonic oscillator systems with a double-well type interatomic interaction like $V(\xi)=-\xi^2/2+\xi^4/4$, when the system…