A Scheil-Gulliver simulation tool using pycalphad
scheil
A Scheil-Gulliver simulation tool using pycalphad.
import matplotlib.pyplot as plt
from pycalphad import Database, variables as v
from scheil import simulate_scheil_solidification
# setup the simulation parameters
dbf = Database('alzn_mey.tdb')
comps = ['AL', 'ZN', 'VA']
phases = sorted(dbf.phases.keys())
liquid_phase_name = 'LIQUID'
initial_composition = {v.X('ZN'): 0.3}
start_temperature = 850
# perform the simulation
sol_res = simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the result
for phase_name, amounts in sol_res.cum_phase_amounts.items():
plt.plot(sol_res.temperatures, amounts, label=phase_name)
plt.plot(sol_res.temperatures, sol_res.fraction_liquid, label='LIQUID')
plt.ylabel('Phase Fraction')
plt.xlabel('Temperature (K)')
plt.title('Al-30Zn Scheil simulation, phase fractions')
plt.legend(loc='best')
plt.show()
Installation
pip (recommended)
scheil is suggested to be installed from PyPI.
pip install scheil
Anaconda
conda install -c conda-forge scheil
Development versions
To install an editable development version with pip:
git clone https://github.com/pycalphad/scheil.git