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A study of vacancy-type defects in pure and boron-doped Ni3Al alloys

✍ Scribed by Usmar, S.G.; Lynn, K.G.

Book ID
122400650
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
457 KB
Volume
6
Category
Article
ISSN
0167-577X

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Using density functional theory calculations in conjunction with the climbing images nudged elastic band method, we studied the vacancy formation and migration in clean and Re-doped Ni 3 Al. Both the chemical potential of the species and the magnetic effect are considered to determine the vacancy fo