# Welcome to PNP Transport’s documentation!¶

This framework uses FEniCS to estimate the numerical solution to Poisson-Nernst-Planck equation to solve the transport kinetics of charged species in dielectrics and stacks of materials.

# Quick Start¶

$cd executables$ chmod +x *.sh


Running a finite source simulation

$cd ./executables$ ./simulate_fs.py --config input_example.ini


where the .ini file looks like

input_example.ini
  1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 [global] # Simulation time in seconds simulation_time = 345600.0 # Simulation temperature in °C temperature = 85 # Surface source concentration in cm-2 surface_concentration = 1.0E+10 # Monolayer ingress rate (1/s) rate_source = 1.000E-04 # The base filename for the output filetag = output_file_Tag # Number of time steps time_steps = 720 # The surface mass transfer coefficient in cm/s h = 1.0E-12 # The segregation coefficient m = 1.0E+00 # The recovery time in seconds (default 0) recovery_time = 43200.0 # The recovery voltage drop in the sinx layer recovery_voltage = -7.5e-05 # Background concentration in cm-3 cb = 1.000E-20 # Dielectric constant er = 7.0 [sinx] # The diffusivity of Na in cm^2/s d = 3.92E-16 # The applied voltage stress in volts stress_voltage = 7.500E-05 # The thickness of the layer in um thickness = 0.075 # The number of points in the layer npoints = 100 [si] # The diffusivity of Na in cm^2/s d = 1.000E-14 # The thickness of the layer in um thickness = 1.0 # The number of points in the layer npoints = 100