| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1664470 | Thin Solid Films | 2015 | 6 Pages |
Abstract
A classic molecular dynamic melting and cooling approach was used to generate bulk amorphous ZrO2 using a reactive force field. The density and the structure characteristics of the generated bulk ZrO2 were analyzed and compared with literature simulations and experimental data. The density dependence on the cooling rate in the simulations was established. The generated bulk ZrO2 can further be used for theoretical studies of amorphous ZrO2 properties.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Nanotechnology
Authors
S. Arash Sheikholeslam, Guangrui Maggie Xia, Cristian Grecu, André Ivanov,