Annealing‐Induced Changes in the Atomic Structure of Amorphous Silica, Germania, and Tantala Using Accelerated Molecular Dynamics
Abstract
The effects of annealing on the atomic structures of , , and are investigated using accelerated molecular dynamics (MD) simulations. Using population annealing with Boltzmann resampling to expedite the MD simulations, it is shown that annealed models demonstrate subtle but statistically significant changes in the structure. Consistent with experiments, the simulations show that effects of annealing on the atomic structures of these amorphous oxides are more pronounced in the medium‐range order than in the short‐range order.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- May 24, 2021
- Source ID
- 10.1002/pssb.202000519
Entities
People
- Hai-Ping Cheng
- Kiran Prasai
- Martin M. Fejer
- Riccardo Bassiri
Organizations
- Gordon and Betty Moore Foundation
- National Science Foundation
- Office of Naval Research
- Stanford University
- University of Florida