mdevaluate/mdevaluate/functions.py
2022-04-20 14:08:38 +02:00

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import numpy as np
def kww(t, A, τ, β):
return A * np.exp(-(t / τ)**β)
def kww_1e(A, τ, β):
return τ * (-np.log(1 / (np.e * A)))**(1 / β)
def cole_davidson(w, A, b, t0):
P = np.arctan(w * t0)
return A * np.cos(P)**b * np.sin(b * P)
def cole_cole(w, A, b, t0):
return A * (w * t0)**b * np.sin(np.pi * b / 2) / (1 + 2 * (w * t0)**b * np.cos(np.pi * b / 2) + (w * t0)**(2 * b))
def havriliak_negami(ω, A, β, α, τ):
r"""
Imaginary part of the Havriliak-Negami function.
.. math::
\chi_{HN}(\omega) = \Im\left(\frac{A}{(1 + (i\omega\tau)^\alpha)^\beta}\right)
"""
return -(A / (1 + (1j * ω * τ)**α)**β).imag
# fits decay of correlation times, e.g. with distance to pore walls
def colen(d, X, t8, A):
return t8 * np.exp(A*np.exp(-d/X))
# fits decay of the plateau height of the overlap function, e.g. with distance to pore walls
def colenQ(d, X, Qb, g):
return (1-Qb)*np.exp(-(d/X)**g)+Qb