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@@ -1,17 +1,43 @@
Fitting multi-pole Debye model to dielectric data Fitting multi-pole Debye model to dielectric data
================================================= =================================================
In the ``user_libs`` sub-package is a module called ``DebyeFit`` which can be used to to fit a multi-Debye expansion to dielectric data, defined as All electromagnetic phenomena are governed by the Maxwell's equations, which describing how electric and magnetic fields are distributed due to charges and currents,
and how they are changing in time. gprMax is open source software that simulates electromagnetic wave propagation by using
Yee's algorithm to solve (3+1)D Maxwell’s equations with Finite-Difference Time-Domain (FDTD) method.
The behavior of the electromagnetic wave is closely dependent on the material in which it propagates.
Some dispersive media have quite complex electromagnetic properties depending on the wavelength.
This, for example, means that for different frequencies the wave can propagate with a different speed in different materials.
This significantly affects the solver’s output. The main goal of the GSoC 2021 project was to enhance series of scripts,
which modelled electromagnetic properties of the variety range of materials.
Multi-pole Debye model
======================
Electric permittivity is a complex function with both real and imaginary parts.
In general, as a hard and fast rule, the real part dictates the velocity of the medium while the imaginary part is related to the electromagnetic losses.
The generic form of dispersive media takes a form of
.. math::
\epsilon(\omega) = \epsilon^{'}(\omega) - j\epsilon^{''}(\omega),
where :math:`\omega` is the angular frequency, :math:`\epsilon^{'}` and :math:`\epsilon^{''}` are the real and imaginary parts of the permittivity respectively.
In the ``user_libs`` sub-package is a module called ``DebyeFit`` which can be used to fit a multi-Debye expansion to dielectric data, defined as
.. math:: .. math::
\epsilon(\omega) = \epsilon_{\infty} + \sum_{i=1}^{N}\frac{\Delta\epsilon_{i}}{1+j\omega t_{0,i}}, \epsilon(\omega) = \epsilon_{\infty} + \sum_{i=1}^{N}\frac{\Delta\epsilon_{i}}{1+j\omega t_{0,i}},
where :math:`\epsilon(\omega)` is frequency dependent dielectric properties, :math:`\Delta\epsilon` - difference between the real permittivity at zero and infinity frequency. where :math:`\epsilon(\omega)` is frequency dependent dielectric permittivity, :math:`\Delta\epsilon` - difference between the real permittivity at zero and infinity frequency.
:math:`\tau_{0}` is relaxation time (s), :math:`\epsilon_{\infty}` - real part of relative permittivity at infinity frequency, and :math:`N` is number of the Debye poles. :math:`\tau_{0}` is relaxation time (s), :math:`\epsilon_{\infty}` - real part of relative permittivity at infinity frequency, and :math:`N` is number of the Debye poles.
The user can choose between Havriliak-Negami, Jonscher, Complex Refractive Index Mixing models, and arbitrary dielectric data derived experimentally The user can choose between Havriliak-Negami, Jonscher, Complex Refractive Index Mixing models, and arbitrary dielectric data derived experimentally
or calculated using some other function. or calculated using some other function to fit the data to a multi-Debye expansion.
<div align="center">
<img src="docs/epsilon.png" width="600"/>
</div>
License License
======= =======
@@ -21,7 +47,7 @@ License
Code structure Code structure
============== ==============
The ``user_libs`` sub-package contains two main scripts: The ``DebyeFit`` sub-package contains two main scripts:
* ```Debye_fit.py``` with definition of all Relaxation functions classes, * ```Debye_fit.py``` with definition of all Relaxation functions classes,
* ```optimization.py``` with definition of three choosen global optimization methods. * ```optimization.py``` with definition of three choosen global optimization methods.
@@ -33,7 +59,7 @@ Class Relaxation
This class is designed for modelling different relaxation functions, like Havriliak-Negami (```Class HavriliakNegami```), Jonscher (```Class Jonscher```), Complex Refractive Index Mixing (```Class CRIM```) models, and arbitrary dielectric data derived experimentally This class is designed for modelling different relaxation functions, like Havriliak-Negami (```Class HavriliakNegami```), Jonscher (```Class Jonscher```), Complex Refractive Index Mixing (```Class CRIM```) models, and arbitrary dielectric data derived experimentally
or calculated using some other function (```Class Rawdata```). or calculated using some other function (```Class Rawdata```).
More about ``Class Relaxation`` structure can be found in [relaxation.md](./docs/relaxation.md). More about ``Class Relaxation`` structure can be found in [relaxation.md](docs/relaxation.md).
Havriliak-Negami Function Havriliak-Negami Function
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