Calculation of Diffusion Coefficients in γ-Ni
Keyword(s):
A model has been developed to predict the interdiffusion behaviour of elements between a substrate and a coating. This model, however, relies on knowing accurate diffusion coefficients. However, only limited diffusion data are available in the literature. Recently, it has been demonstrated that Density Functional Theory (DFT) can be used to calculate relevant diffusion coefficients with reasonable accuracy. According to the vacancy diffusion mechanism , diffusion coefficient has an Arrhenius form. The diffusion activation energy can be written as a sum of the diffusion energy barrier and the vacancy formation energy adjacent to a solute.
2018 ◽
Vol 17
(08)
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pp. 1850050
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2015 ◽
Vol 14
(03)
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pp. 1550020
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Keyword(s):
2016 ◽
Vol 18
(39)
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pp. 27226-27231
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2016 ◽
Vol 15
(02)
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pp. 1650012
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2018 ◽
Vol 32
(14)
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pp. 1850178
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