| Автор | N Q Lam |
| Автор | L Dagens |
| Дата выпуска | 1986-10-01 |
| dc.description | The properties of single and multiple defects in Ni were calculated by molecular dynamics simulation using an effective interaction potential derived with the aid of a new method developed by Dagens for transition metals. The formation and migration energies of single vacancies are 1.33 and 0.90 eV, respectively. Di-, tri- and tetravacancies are weakly bound, with respective binding energies of 0.004, 0.10 and 0.24 eV. The divacancies are more mobile than the single vacancies, having a migration energy of 0.47 eV. Self-interstitials are found to be stable in the (100) dumbbell configuration; their energies of formation and migration are 4.16 and 0.12 eV, respectively. Multiple interstitials are strongly bound; like the single dumbbell interstitials, di-interstitials are highly mobile. The respective binding and migration energies for di- and tri-interstitials are 1.13 and 0.17 eV, and 2.67 and approximately 0.50 eV. The theoretical results are compared with the available experimental measurements and with previous defect calculations based on a short-range empirical potential. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Calculations of the properties of single and multiple defects in nickel |
| Тип | paper |
| DOI | 10.1088/0305-4608/16/10/006 |
| Print ISSN | 0305-4608 |
| Журнал | Journal of Physics F: Metal Physics |
| Том | 16 |
| Первая страница | 1373 |
| Последняя страница | 1384 |
| Аффилиация | N Q Lam; Div. of Mater. Sci. & Technol., Argonne Nat. Lab., IL, USA |
| Аффилиация | L Dagens; Div. of Mater. Sci. & Technol., Argonne Nat. Lab., IL, USA |
| Выпуск | 10 |
