The Phonon Boltzmann Equation, Properties and Link to Weakly Anharmonic Lattice Dynamics

نویسنده

  • Herbert Spohn
چکیده

For low density gases the validity of the Boltzmann transport equation is well established. The central object is the one-particle distribution function, f , which in the Boltzmann-Grad limit satisfies the Boltzmann equation. Grad and, much refined, Cercignani argue for the existence of this limit on the basis of the BBGKY hierarchy for hard spheres. At least for a short kinetic time span, the argument can be made mathematically precise following the seminal work of Lanford. In this article a corresponding program is undertaken for weakly nonlinear, both discrete and continuum, wave equations. Our working example is the harmonic lattice with a weakly nonquadratic on-site potential. We argue that the role of the Boltzmann f -function is taken over by the Wigner function, which is a very convenient device to filter the slow degrees of freedom. The Wigner function, so to speak, labels locally the covariances of dynamically almost stationary measures. One route to the phonon Boltzmann equation is a Gaussian decoupling, which is based on the fact that the purely harmonic dynamics has very good mixing properties. As a further approach the expansion in terms of Feynman diagrams is outlined. Both methods are extended to the quantized version of the weakly nonlinear wave equation. The resulting phonon Boltzmann equation has been hardly studied on a rigorous level. As one novel contribution we establish that the spatially homogeneous stationary solutions are precisely the thermal Wigner functions. For three phonon processes such a result requires extra conditions on the dispersion law. We also outline the reasoning leading to Fourier’s law for heat conduction.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations

Two methods for predicting phonon frequencies and relaxation times are presented. The first is based on quasiharmonic and anharmonic lattice dynamics calculations, and the second is based on a combination of quasiharmonic lattice dynamics calculations and molecular dynamics simulations. These phonon properties are then used with the Boltzmann transport equation under the relaxation-time approxi...

متن کامل

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

One of the most accurate approaches for calculating lattice thermal conductivity, κ‘, is solving the Boltzmann transport equation starting from third-order anharmonic force constants. In addition to the underlying approximations of ab-initio parameterization, two main challenges are associated with this path: high computational costs and lack of automation in the frameworks using this methodolo...

متن کامل

Anomalous energy transport in FPU-β chain

This paper is devoted to the derivation of a macroscopic diffusion equation (Fourier’s law) describing the transport of energy in an anharmonic chain. More precisely, we study here the so-called FPU-β chain, which is a very simple model for a one-dimensional crystal in which atoms are coupled to their nearest neighbors by a harmonic potential, weakly perturbed by a quartic potential. The starti...

متن کامل

Quantitative validation of the Boltzmann transport equation phonon thermal conductivity model under the single-mode relaxation time approximation

The phonon thermal conductivity of the Lennard-Jones argon face-centered cubic crystal is predicted between temperatures of 20 K and 80 K using the Boltzmann transport equation under the single-mode relaxation time approximation. The temperature and frequency dependencies of the phonon dispersion and phonon relaxation times are obtained from lattice-dynamics calculations based on the results of...

متن کامل

Phonon transport in periodic silicon nanoporous films with feature sizes greater than 100 nm

The thermal conductivities of solid silicon thin films and silicon thin films with periodic pore arrays are predicted using a Monte Carlo technique to include phonon-boundary scattering and the Boltzmann transport equation. The bulk phonon properties required as input are obtained from harmonic and anharmonic lattice dynamics calculations. The force constants required for the lattice dynamics c...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2008