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        • PoreSlit.roughness

    PoreSlit.roughness¶

    PoreSlit.roughness(self)¶

    Calculate surface roughness. In the case of a slit pore the roughness is then determined by calculating the standard deviation of the binding site silicon atoms peaks and valleys.

    It is therefore enough to calculate the distances towards a specific surface, which in this case will be the central surface. The mean value \(\bar r\) of the silicon distances \(r_i\) of silicon \(i\) towards the pore center, is calculated by

    \[\bar r=\frac1n\sum_{i=1}^nr_i\]

    with the number of silicon atoms \(n\). This mean value is used in the square root roughness calculation

    \[R_q = \sqrt{\frac1n\sum_{i=1}^n\|r_i-\bar r\|^2}.\]
    Returns:
    roughness : float

    Surface roughness

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    © Copyright 2021, Hamzeh Kraus.
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