Handle H transport properties
Project description
H-transport-materials
Installation
pip install h-transport-materials
Usage
Access the internal database
import h_transport_materials as htm
import matplotlib.pyplot as plt
# filter only tungsten and H
diffusivities = htm.diffusivities.filter(material="tungsten").filter(isotope="h")
htm.plotting.plot(diffusivities)
plt.yscale("log")
plt.ylabel("Diffusivity (m$^2$/s)")
plt.legend()
plt.show()
Add custom properties
import h_transport_materials as htm
import numpy as np
# Create a custom property
my_custom_property = htm.ArrheniusProperty(pre_exp=1e-5, act_energy=0.2)
# From (T, y) data
my_fitted_property = htm.ArrheniusProperty(
data_T=[300, 400, 500, 600],
data_y=[1e-8, 1e-7, 1e-6, 1e-5],
)
print("Pre-exponential factor: {:.2e}".format(my_fitted_property.pre_exp))
print("Activation energy: {:.2f} eV".format(my_fitted_property.act_energy))
# Pre-exponential factor: 4.40e-03
# Activation energy: 0.35 eV
Filters
import h_transport_materials as htm
# tungsten solubilities
htm.solubilities.filter(material="tungsten")
# copper and cucrzr solubilities
htm.solubilities.filter(material=["copper", "cucrzr"])
# all_authors_except_ryabchikov
htm.diffusivities.filter(material="tungsten").filter(author="ryabchikov", exclude=True)
# only Tritium
htm.diffusivities.filter(isotope="t")
Compute mean values
import h_transport_materials as htm
import matplotlib.pyplot as plt
tungsten_diffusivities = htm.diffusivities.filter(material="tungsten").filter(
author=["moore", "zakharov"], exclude=True
)
# compute mean diffusivity
mean_D_0, mean_E_D = tungsten_diffusivities.mean()
mean_diffusivity = htm.ArrheniusProperty(mean_D_0, mean_E_D)
# plot
htm.plotting.plot(tungsten_diffusivities, alpha=0.5)
htm.plotting.plot(mean_diffusivity, color="black", linewidth=3)
x_annotation = 0.0034
plt.annotate("mean value", (x_annotation, mean_diffusivity.value(T=1 / x_annotation)))
plt.ylabel("Diffusivity (m$^2$ s$^{-1}$)")
plt.yscale("log")
plt.show()
Export to BibTeX
The refernces of properties and properties groups can be exported to a bibfile.
import h_transport_materials as htm
tungsten_diffusivities = htm.diffusivities.filter(material="tungsten")
tungsten_diffusivities.export_bib("my_bibfile.bib")
Contributions
The current database is far from complete. Contributions are most welcome to extend it by adding new properties and also new materials!
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