Migration of fluorine in fluorapatite - a concerted mechanism
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
Fersiynau electronig
Dangosydd eitem ddigidol (DOI)
Molecular dynamics simulations, used in conjunction with a set of classical pair potentials, have been employed to investigate the transport of fluorine in fluorapatite. A new coupled interstitial migration mechanism is identified with a migration activation energy of 0.55 eV in the temperature range 1100-1500 K. A full description of the mechanism is provided, which differs markedly from previously proposed vacancy mechanisms for fluorine transport.
| Iaith wreiddiol | Anadnabyddus |
|---|---|
| Tudalennau (o-i) | 6097-6103 |
| Nifer y tudalennau | 7 |
| Cyfnodolyn | Journal of Materials Chemistry |
| Cyfrol | 22 |
| Rhif y cyfnodolyn | 13 |
| Dynodwyr Gwrthrych Digidol (DOIs) | |
| Statws | Cyhoeddwyd - 2012 |
| Cyhoeddwyd yn allanol | Ie |