Abstract
We study the atomic vibrational dynamics in silica glass (a-SiO2) using molecular-dynamics (MD) simulations and classical lattice dynamics method. The SiO2 glasses were generated by molecular-dynamics and steepest-descent quench (SDQ) using an effective interatomic potential consisting of two-body and three-body interactions. The frequency and eigenvectors of vibrational normal modes are obtained by diagonalization of the dynamical matrix. The partial and total vibrational density of states (DOS), bond-projected DOS, participation ratio (PR), and neutron-weighted dynamic structure factor are calculated. The results are compared with inelastic neutron scattering experiments on SiO2 glass.
| Original language | English |
|---|---|
| Title of host publication | Materials Research Society Symposium Proceedings |
| Pages | 343-348 |
| Number of pages | 6 |
| Volume | 291 |
| State | Published - Jan 1 1993 |
| Externally published | Yes |
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