A monatomic amorphous surface has been simulated above and below the gradual melting transition using molecular dynamics for atoms interacting through a Lennard-Jones 12-6 potential energy function. Detailed atomic trajectories are presented and averaged to yield diffusion constants and activation energies. Surface melting, which occurs at lower temperatures than for the amorphous bulk and most crystalline surfaces, is described in terms of radial distribution functions, velocity correlations, and vibrational spectra.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Surfaces and Interfaces