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.
Dependencies¶
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
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
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