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scheil

A Scheil-Gulliver simulation tool using pycalphad.

importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()

Phase fraction evolution during a Scheil simulation of Al-30Zn

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
cd scheil
pip install --editable .[dev]

Upgrading scheil later requires you to run git pull in this directory.

Run the automated tests using

pytest

Theory

Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of

  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid

Getting Help

For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.

Bugs and software issues should be reported on GitHub.

License

scheil is MIT licensed. See LICENSE.

Citing

If you use the scheil package in your work, please cite the relevant version.

The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:

Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About

A Scheil-Gulliver simulation tool using pycalphad.

scheil.readthedocs.io/

Topics

calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics

Resources

Readme
MIT license
Activity
Custom properties

Stars

30 stars

Watchers

5 watching

Forks

12 forks
Report repository

Releases

Packages

Used by

Contributors

Languages

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GitHub - pycalphad/scheil: A Scheil-Gulliver simulation tool using pycalphad. · GitHub
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scheil
A Scheil-Gulliver simulation tool using pycalphad.
importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()
Phase fraction evolution during a Scheil simulation of Al-30Zn
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
cd scheil
pip install --editable .[dev]
Upgrading scheil later requires you to run git pull in this directory.
Run the automated tests using
pytest
Theory
Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of
  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid
Getting Help
For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.
Bugs and software issues should be reported on GitHub.
License
scheil is MIT licensed. See LICENSE.
Citing
If you use the scheil package in your work, please cite the relevant version.
The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:
Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About
A Scheil-Gulliver simulation tool using pycalphad.
scheil.readthedocs.io/
Topics
calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
Resources
Readme
MIT license
Activity
Custom properties
Stars
30 stars
Watchers
5 watching
Forks
12 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
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GitHub - pycalphad/scheil: A Scheil-Gulliver simulation tool using pycalphad. · GitHub
Skip to content
BranchesTags
Repository files navigation
scheil
A Scheil-Gulliver simulation tool using pycalphad.
importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()
Phase fraction evolution during a Scheil simulation of Al-30Zn
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
cd scheil
pip install --editable .[dev]
Upgrading scheil later requires you to run git pull in this directory.
Run the automated tests using
pytest
Theory
Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of
  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid
Getting Help
For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.
Bugs and software issues should be reported on GitHub.
License
scheil is MIT licensed. See LICENSE.
Citing
If you use the scheil package in your work, please cite the relevant version.
The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:
Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About
A Scheil-Gulliver simulation tool using pycalphad.
scheil.readthedocs.io/
Topics
calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
Resources
Readme
MIT license
Activity
Custom properties
Stars
30 stars
Watchers
5 watching
Forks
12 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
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GitHub - pycalphad/scheil: A Scheil-Gulliver simulation tool using pycalphad. · GitHub
Skip to content
BranchesTags
Repository files navigation
scheil
A Scheil-Gulliver simulation tool using pycalphad.
importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()
Phase fraction evolution during a Scheil simulation of Al-30Zn
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
cd scheil
pip install --editable .[dev]
Upgrading scheil later requires you to run git pull in this directory.
Run the automated tests using
pytest
Theory
Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of
  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid
Getting Help
For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.
Bugs and software issues should be reported on GitHub.
License
scheil is MIT licensed. See LICENSE.
Citing
If you use the scheil package in your work, please cite the relevant version.
The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:
Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About
A Scheil-Gulliver simulation tool using pycalphad.
scheil.readthedocs.io/
Topics
calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
Resources
Readme
MIT license
Activity
Custom properties
Stars
30 stars
Watchers
5 watching
Forks
12 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
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var __m = "youtube.com";
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GitHub - pycalphad/scheil: A Scheil-Gulliver simulation tool using pycalphad. · GitHub
Skip to content
BranchesTags
Repository files navigation
scheil
A Scheil-Gulliver simulation tool using pycalphad.
importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()
Phase fraction evolution during a Scheil simulation of Al-30Zn
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
cd scheil
pip install --editable .[dev]
Upgrading scheil later requires you to run git pull in this directory.
Run the automated tests using
pytest
Theory
Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of
  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid
Getting Help
For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.
Bugs and software issues should be reported on GitHub.
License
scheil is MIT licensed. See LICENSE.
Citing
If you use the scheil package in your work, please cite the relevant version.
The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:
Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About
A Scheil-Gulliver simulation tool using pycalphad.
scheil.readthedocs.io/
Topics
calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
Resources
Readme
MIT license
Activity
Custom properties
Stars
30 stars
Watchers
5 watching
Forks
12 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
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var __m = "*";
var __re = new RegExp('^' + ".*" + '
GitHub - pycalphad/scheil: A Scheil-Gulliver simulation tool using pycalphad. · GitHub
Skip to content
BranchesTags
Repository files navigation
scheil
A Scheil-Gulliver simulation tool using pycalphad.
importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()
Phase fraction evolution during a Scheil simulation of Al-30Zn
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
cd scheil
pip install --editable .[dev]
Upgrading scheil later requires you to run git pull in this directory.
Run the automated tests using
pytest
Theory
Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of
  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid
Getting Help
For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.
Bugs and software issues should be reported on GitHub.
License
scheil is MIT licensed. See LICENSE.
Citing
If you use the scheil package in your work, please cite the relevant version.
The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:
Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About
A Scheil-Gulliver simulation tool using pycalphad.
scheil.readthedocs.io/
Topics
calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
Resources
Readme
MIT license
Activity
Custom properties
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GitHub - pycalphad/scheil: A Scheil-Gulliver simulation tool using pycalphad. · GitHub
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scheil
A Scheil-Gulliver simulation tool using pycalphad.
importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()
Phase fraction evolution during a Scheil simulation of Al-30Zn
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
cd scheil
pip install --editable .[dev]
Upgrading scheil later requires you to run git pull in this directory.
Run the automated tests using
pytest
Theory
Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of
  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid
Getting Help
For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.
Bugs and software issues should be reported on GitHub.
License
scheil is MIT licensed. See LICENSE.
Citing
If you use the scheil package in your work, please cite the relevant version.
The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:
Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About
A Scheil-Gulliver simulation tool using pycalphad.
scheil.readthedocs.io/
Topics
calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
Resources
Readme
MIT license
Activity
Custom properties
Stars
30 stars
Watchers
5 watching
Forks
12 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
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} catch(__e) { console.warn('[Userscript:Universal Dark Mode]', __e); }
})();
})();
GitHub - pycalphad/scheil: A Scheil-Gulliver simulation tool using pycalphad. · GitHub
Skip to content
BranchesTags
Repository files navigation
scheil
A Scheil-Gulliver simulation tool using pycalphad.
importmatplotlib.pyplotaspltfrompycalphadimportDatabase, variablesasvfromscheilimportsimulate_scheil_solidification# setup the simulation parametersdbf=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 simulationsol_res=simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)
# plot the resultforphase_name, amountsinsol_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()
Phase fraction evolution during a Scheil simulation of Al-30Zn
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
cd scheil
pip install --editable .[dev]
Upgrading scheil later requires you to run git pull in this directory.
Run the automated tests using
pytest
Theory
Uses classic Scheil-Gulliver theory (see G.H. Gulliver, J. Inst. Met. 9 (1913) 120–157 and Scheil, Zeitschrift Für Met. 34 (1942) 70–72.) with assumptions of
  1. Perfect mixing in the liquid
  2. Local equilibrium between solid and liquid
  3. No diffusion in the solid
Getting Help
For help on installing and using scheil, please join the pycalphad/pycalphad Gitter room.
Bugs and software issues should be reported on GitHub.
License
scheil is MIT licensed. See LICENSE.
Citing
If you use the scheil package in your work, please cite the relevant version.
The following DOI, doi:10.5281/zenodo.3630656, will link to the latest released version of the code on Zenodo where you can cite the specific version that you haved used. For example, version 0.1.2 can be cited as:
Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., & Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657

@software{bocklund_brandon_2020_3630657,
author = {Bocklund, Brandon and
Bobbio, Lourdes D. and
Otis, Richard A. and
Beese, Allison M. and
Liu, Zi-Kui},
title = {pycalphad-scheil: 0.1.2},
month = jan,
year = 2020,
publisher = {Zenodo},
version = {0.1.2},
doi = {10.5281/zenodo.3630657},
url = {https://doi.org/10.5281/zenodo.3630657}
}

About
A Scheil-Gulliver simulation tool using pycalphad.
scheil.readthedocs.io/
Topics
calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
Resources
Readme
MIT license
Activity
Custom properties
Stars
30 stars
Watchers
5 watching
Forks
12 forks
Report repository
Releases
Packages
Used by
Contributors
Languages