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Lattice Strain Model - Profile Fitting #85

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morganjwilliams opened this issue Jun 29, 2023 · 0 comments
Open

Lattice Strain Model - Profile Fitting #85

morganjwilliams opened this issue Jun 29, 2023 · 0 comments
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enhancement New feature or request

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@morganjwilliams
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pyrolite currently includes some functionality to calculate lattice strain associated with mineral substitutions, with a documented example. However, these functions assume that you know the fictive 'ideal radii' for the associated sites, which often is not precisely known.

To expand the functionality for practical use with new experimental data, we could add a straightforward method to fit profiles of e.g. REE partitioning to constrain lattice strain models and retrieve the relevant parameters, and to accompany this with an end-to-end example of fitting and using lattice strain models.

Thanks to Yajie Gao for suggesting this one!

@morganjwilliams morganjwilliams added the enhancement New feature or request label Jun 29, 2023
@morganjwilliams morganjwilliams self-assigned this Jun 29, 2023
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