Dynamic structure factor of a monatomic cubic crystal
Abstract
Abstract The spectral function of density fluctuations, also known as the dynamic structure factor, of a monatomic cubic crystal with vacancies is derived from the macroscopic equations describing transport in crystalline solids. The resonances in the spectral function are identified as a Brillouin doublet of sound propagation, a central Rayleigh peak of heat diffusion (as found in perfect crystals), and another central sharp peak associated with vacancy diffusion. Analytical expressions for the heat and vacancy diffusivities, speeds of sound, and sound damping coefficients are obtained. The theoretical results are compared to molecular dynamics simulations of a face-centered cubic crystal of hard spheres.
Fields of Study & Subjects
Thermodynamic and Structural Properties of Metals and Alloys
Material Dynamics and Properties
Thermal properties of materials
Publication details
- Journal / source
- Journal of Statistical Mechanics Theory and Experiment
- Volume
- 2026
- Issue
- 2
- Pages
- 023214–023214
- Publication date
- 1 February 2026
- Language
- EN