Metadata-Version: 2.1
Name: scheil
Version: 0.1.1
Summary: Scheil-Gulliver simulations using pycalphad.
Home-page: https://pycalphad.org/
Author: Brandon Bocklund
Author-email: brandonbocklund@gmail.com
License: MIT
Description: ======
        scheil
        ======
        
        A Scheil-Gulliver simulation tool using `pycalphad`_.
        
        .. _pycalphad: http://pycalphad.org
        
        .. code-block:: python
        
           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()
        
        .. image:: docs/_static/Al-30Zn_Scheil_simulation.png
            :align: center
            :alt: Phase fraction evolution during a Scheil simulation of Al-30Zn
        
        Installation
        ============
        
        scheil is still in early development and is not yet released on PyPI or conda-forge.
        To use scheil, please install the development version.
        
        
        Development versions
        --------------------
        
        To make improvements to scheil, it is suggested to use
        Anaconda to download all of the required dependencies. This
        method installs scheil with Anaconda, removes specifically the
        scheil package, and replaces it with the package from GitHub.
        
        .. code-block:: bash
        
            conda install -c pycalphad -c conda-forge pycalphad>=0.8
            git clone https://github.com/pycalphad/scheil.git
            cd scheil
            pip install --no-deps -e .
        
        Upgrading scheil later requires you to run ``git pull`` in this directory.
        
        
        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 <https://gitter.im/pycalphad/pycalphad>`_.
        
        Bugs and software issues should be reported on `GitHub <https://github.com/pycalphad/scheil/issues>`_.
        
        License
        =======
        
        scheil is MIT licensed. See LICENSE.
        
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Provides-Extra: dev
