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Determine a better approximation for mobility #11

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amjokisaari opened this issue Jun 23, 2016 · 0 comments
Open

Determine a better approximation for mobility #11

amjokisaari opened this issue Jun 23, 2016 · 0 comments
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@amjokisaari
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Currently, Hyrax approximates the atomic mobility of H in both phases as M = XD_alpha/RT. This works well in the alpha phase for up to X~0.05, but this is definitely far from the atomic mobility calculated as D_delta/dG_delta^2/DX^2. Mobility as calculated in Jokisaari et al, CALPHAD (2015) is not smooth and causes poor numerical convergence behavior. This formulation should be modified for a smooth mobility.

@amjokisaari amjokisaari self-assigned this Jul 11, 2016
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