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theory for surface kinetics bc
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KulaginVladimir committed Jul 11, 2024
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12 changes: 12 additions & 0 deletions docs/source/bibliography/references.bib
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Expand Up @@ -54,4 +54,16 @@ @article{Schmid2016
pages = {014025},
issn = {0031-8949},
url = {https://iopscience.iop.org/article/10.1088/0031-8949/T167/1/014025}
}

@article{Guterl2019,
title={Effects of surface processes on hydrogen outgassing from metal in desorption experiments},
author={Guterl, Jerome and Smirnov, RD and Snyder, P},
journal={Nuclear Fusion},
volume={59},
number={9},
pages={096042},
year={2019},
publisher={IOP Publishing},
url = {https://iopscience.iop.org/article/10.1088/1741-4326/ab280a/meta}
}
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39 changes: 37 additions & 2 deletions docs/source/theory.rst
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Expand Up @@ -272,9 +272,44 @@ Finally, convective heat fluxes can be applied to boundaries:
where :math:`h` is the heat transfer coefficient and :math:`T_{\mathrm{ext}}` is the external temperature.

---------------
Kinetic surface model
^^^^^^^^^^^^^^^^^^^^^

Modelling hydrogen retention or outgassing might require considering the kinetics of surface processes :cite:`Guterl2019`.
A representative example is the hydrogen uptake from a gas phase, when the energy of incident atoms/molecules is not high enough to
to overcome the surface barrier for implantation. The general approach to accound for surface kinetics consists in
introducing hydrogen surface species :math:`c_\mathrm{s}`. Evolution of hydrogen surface concentration is governed by the atomic flux
balance at the surface, as sketched in diagram below:

.. math::
:label: eq_surf_conc
\dfrac{d c_\mathrm{s}}{d t} = J_\mathrm{bs} - J_\mathrm{sb} + J_\mathrm{vs}
where :math:`J_\mathrm{bs}` is the flux of hydrogen atoms from the bulk onto the surface, :math:`J_\mathrm{sb}` is the flux of hydrogen atoms from the surface
into the bulk, and :math:`J_\mathrm{sv}` is the net flux of hydrogen atoms from the vacuum onto the surface.

.. figure:: images/potential_diagram.png
:align: center
:width: 800
:alt: Potential energy diagram for hydrogen near a surface of an endothermic metal. Energy levels are measured from the :math:`\mathrm{H}_2` state

Potential energy diagram for hydrogen near a surface of an endothermic metal. Energy levels are measured from the :math:`\mathrm{H}_2` state


The connection condition between surface and bulk domains represents the Robin boundary condition for the diffusion problem.

The Robin boundary condition can be used to account for kinetic processes occurring on a surface . The general approach consists in considering
a temporal evolution of hydrogen surface species (:math:`c_\mathrm{s}`):

.. math::
:label: eq_surf_conc
\dfrac{d c_\mathrm{s}}{d t} = J_\mathrm{bs} - J_\mathrm{sb} + J_\mathrm{vs}
------------
References
---------------
------------

.. bibliography:: bibliography/references.bib
:style: unsrt

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