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# Authors
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[MOBILE.jl](https://github.com/AnStroh/MOBILE.jl)'s development is coordinated by a group of *principal developers*,
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[MovingBoundaryMinerals.jl](https://github.com/AnStroh/MovingBoundaryMinerals.jl)'s development is coordinated by a group of *principal developers*,
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who are also its main contributors and who can be contacted in case of
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questions about [MOBILE.jl](https://github.com/AnStroh/MOBILE.jl). In addition, there are *contributors* who have
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questions about [MovingBoundaryMinerals.jl](https://github.com/AnStroh/MovingBoundaryMinerals.jl). In addition, there are *contributors* who have
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provided substantial additions or modifications. Together, these two groups form
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## Contributors
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The following people contributed major additions or modifications to [MOBILE.jl](https://github.com/AnStroh/MOBILE.jl) and
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The following people contributed major additions or modifications to [MovingBoundaryMinerals.jl](https://github.com/AnStroh/MovingBoundaryMinerals.jl) and
Copy file name to clipboardExpand all lines: CONTRIBUTING.md
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# Contributing
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[MOBILE.jl](https://github.com/AnStroh/MOBILE.jl) is an open-source project and we are very happy to accept contributions
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from the community. Please feel free to [open issues](https://github.com/AnStroh/MOBILE.jl/issues/new) or submit patches (preferably
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as [pull requests](https://github.com/AnStroh/MOBILE.jl/pulls)) any time. For planned larger contributions, it is often
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[MovingBoundaryMinerals.jl](https://github.com/AnStroh/MovingBoundaryMinerals.jl) is an open-source project and we are very happy to accept contributions
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from the community. Please feel free to [open issues](https://github.com/AnStroh/MovingBoundaryMinerals.jl/issues/new) or submit patches (preferably
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as [pull requests](https://github.com/AnStroh/MovingBoundaryMinerals.jl/pulls)) any time. For planned larger contributions, it is often
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beneficial to get in contact with one of the principal developers first (see
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[AUTHORS.md](AUTHORS.md)).
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[MOBILE.jl](https://github.com/AnStroh/MOBILE.jl) and its contributions are licensed under the MIT license. As a contributor, you certify that all your
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[MovingBoundaryMinerals.jl](https://github.com/AnStroh/MovingBoundaryMinerals.jl) and its contributions are licensed under the MIT license. As a contributor, you certify that all your
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contributions are in conformance with the *Developer Certificate of Origin
MovingBoundaryMinerals.jl is a software to model diffusion-controlled growth/resorption processes in mineral couples.
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We tested our software with various analytical and semi-analytical solutions (examples A1-A2, B1-B5, C1). In addition, we present some mineral growth/resorption examples (B6-B7, C2, D1) showing compositional profiles, which can be observed in natural samples.
In this section we would like to make a few generally useful comments on the structure of the codes.
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In this section we would like to make a few generally useful comments on the structure of the codes.
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## Structure
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We have tried to structure the individual files as uniformly as possible and to delete unnecessary parameters in the examples so that the user gets a good overview as quickly as possible and understands the individual examples well. Furthermore, the code works with SI units. Subsequently, users are asked to adjust their values or to change the units consequently at their own risk.Most of the codes are created to handle diffusion couples. In these codes we always refer to the left (phase A) and right side (phase B). If two numbers are stored in a variable, the first refers to the left material and the second to the right material. We have also stored generally valid codes in the main_codes folder. The examples can be found in the examples folder. Parameters in the main_codes folder have no physical meaning and act as placeholders such that the code works out of the box. In contrast, the examples show codes with real or non-dimensional values.
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## Compositions and concentrations
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In our Julia package MOBILE.jl, we specify the concentration in mol. However, since we include any swelling or shrinking processes due to density differences, the composition can also be given in wt% or mol%. The respective parameters such as activation energy or densities must be corrected according to the utilized units. We want to emphasize, that consistence is extremely important here. The units of concentrations (e.g., mol) or compositions (e.g., wt%) are shortened at the end in the diffusion equation (Eq. 1). For more details: Appendices A and B in the related paper to this package (ADD REFERENCE!!!)
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In our Julia package MovingBoundaryMinerals.jl, we specify the concentration in mol. However, since we include any swelling or shrinking processes due to density differences, the composition can also be given in wt% or mol%. The respective parameters such as activation energy or densities must be corrected according to the utilized units. We want to emphasize, that consistence is extremely important here. The units of concentrations (e.g., mol) or compositions (e.g., wt%) are shortened at the end in the diffusion equation (Eq. 1). For more details: Appendices A and B in the related paper to this package (ADD REFERENCE!!!)
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## Temperature and distribution coefficient
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In general, it is always possible to specify the temporal evolution of the distribution coefficient (KD) and the temperature as vectors. This makes it very easy to handle isothermal as well as non-isothermal problems and deal with constant or changing K_D values. Within the temperature and the KD vector, the first value defines the initial value. The last value defines value at the end of the simulation. If the first and the last entry are the same, the respective parameter is constant.
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In general, it is always possible to specify the temporal evolution of the distribution coefficient (KD) and the temperature as vectors. This makes it very easy to handle isothermal as well as non-isothermal problems and deal with constant or changing K_D values. Within the temperature and the KD vector, the first value defines the initial value. The last value defines value at the end of the simulation. If the first and the last entry are the same, the respective parameter is constant.
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## Inner and outer boundaries
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The inner boundary at the interface can either be described by the flux balance approach or with total mass balance. Outer boundary conditions at the edges of the modeling domain can be set to Dirichlet or Neumann conditions using BCout.
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The inner boundary at the interface can either be described by the flux balance approach or with total mass balance. Outer boundary conditions at the edges of the modeling domain can be set to Dirichlet or Neumann conditions using BCout.
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## Calculation of the diffusion coefficient
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There are two methods for calculating the diffusion coefficient in our package a) a constant diffusion coefficient is used by recording the respective values for the left and right side under the variable Di and b) if both values in Di are replaced with -1.0, D is calculated using the Arrhenius relationship. The same also applies to diffsion processes in single crystals. However, there is one exception. Within Chemical_Stefan_problem.jl, the diffusivities are implemented as constant values. Within example D1, we specify the diffusion coefficient for Fe-Mg in olivine and in the melt based on experimental values (Dohmen and Chakraborty, 2007a, b; Zhang and Cherniak, 2010) and effective evaluations (Crank, 1975). The user can customize the calculation method of the diffusion coefficients at any time.
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Dohmen, R. and Chakraborty, S.: Fe–Mg diffusion in olivine II: point defect chemistry, change of diffusion mechanisms and a model for calculation of diffusion coefficients in natural olivine, Phys. Chem. Miner., 34, 597–598, https://doi.org/10.1007/s00269-007-0185-3, 2007a.
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Dohmen, R. and Chakraborty, S.: Fe–Mg diffusion in olivine II: point defect chemistry, change of diffusion mechanisms and a model for calculation of diffusion coefficients in natural olivine, Phys. Chem. Miner., 34, 409–430, https://doi.org/10.1007/s00269-007-0158-6, 2007b.
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Zhang, Y. and Cherniak, D. J.: Diffusion in Minerals and Melts: Introduction, Rev. Mineral. Geochem., 72, 1–4, https://doi.org/10.2138/rmg.2010.72.1, 2010.
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