{"id":32177300,"url":"https://github.com/pycalphad/scheil","last_synced_at":"2026-02-18T21:02:55.934Z","repository":{"id":46834466,"uuid":"150358281","full_name":"pycalphad/scheil","owner":"pycalphad","description":"A Scheil-Gulliver simulation tool using pycalphad.","archived":false,"fork":false,"pushed_at":"2025-12-15T17:01:57.000Z","size":182,"stargazers_count":26,"open_issues_count":4,"forks_count":10,"subscribers_count":5,"default_branch":"master","last_synced_at":"2026-01-26T07:47:25.991Z","etag":null,"topics":["calphad","materials","materials-science","pycalphad","python","thermodynamics"],"latest_commit_sha":null,"homepage":"https://scheil.readthedocs.io/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/pycalphad.png","metadata":{"files":{"readme":"README.rst","changelog":"CHANGES.rst","contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2018-09-26T02:38:19.000Z","updated_at":"2026-01-19T09:07:22.000Z","dependencies_parsed_at":"2022-08-21T03:40:55.023Z","dependency_job_id":"deb041d3-cd2a-4e55-a8e0-04fafd0c2948","html_url":"https://github.com/pycalphad/scheil","commit_stats":{"total_commits":62,"total_committers":2,"mean_commits":31.0,"dds":"0.016129032258064502","last_synced_commit":"05a89a914db0f268142a91fa4045f9dca2ce9930"},"previous_names":[],"tags_count":9,"template":false,"template_full_name":null,"purl":"pkg:github/pycalphad/scheil","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pycalphad%2Fscheil","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pycalphad%2Fscheil/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pycalphad%2Fscheil/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pycalphad%2Fscheil/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/pycalphad","download_url":"https://codeload.github.com/pycalphad/scheil/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pycalphad%2Fscheil/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":29596125,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-02-18T20:59:56.587Z","status":"ssl_error","status_checked_at":"2026-02-18T20:58:41.434Z","response_time":162,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.6:443 state=error: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["calphad","materials","materials-science","pycalphad","python","thermodynamics"],"created_at":"2025-10-21T20:02:26.127Z","updated_at":"2026-02-18T21:02:55.925Z","avatar_url":"https://github.com/pycalphad.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"======\nscheil\n======\n\nA Scheil-Gulliver simulation tool using `pycalphad`_.\n\n.. image:: https://zenodo.org/badge/150358281.svg\n   :target: https://zenodo.org/badge/latestdoi/150358281\n\n\n.. _pycalphad: http://pycalphad.org\n\n.. code-block:: python\n\n   import matplotlib.pyplot as plt\n   from pycalphad import Database, variables as v\n   from scheil import simulate_scheil_solidification\n\n   # setup the simulation parameters\n   dbf = Database('alzn_mey.tdb')\n   comps = ['AL', 'ZN', 'VA']\n   phases = sorted(dbf.phases.keys())\n\n   liquid_phase_name = 'LIQUID'\n   initial_composition = {v.X('ZN'): 0.3}\n   start_temperature = 850\n\n   # perform the simulation\n   sol_res = simulate_scheil_solidification(dbf, comps, phases, initial_composition, start_temperature, step_temperature=1.0)\n\n   # plot the result\n   for phase_name, amounts in sol_res.cum_phase_amounts.items():\n       plt.plot(sol_res.temperatures, amounts, label=phase_name)\n   plt.plot(sol_res.temperatures, sol_res.fraction_liquid, label='LIQUID')\n   plt.ylabel('Phase Fraction')\n   plt.xlabel('Temperature (K)')\n   plt.title('Al-30Zn Scheil simulation, phase fractions')\n   plt.legend(loc='best')\n   plt.show()\n\n.. image:: https://raw.githubusercontent.com/pycalphad/scheil/master/docs/_static/Al-30Zn_Scheil_simulation.png\n    :align: center\n    :alt: Phase fraction evolution during a Scheil simulation of Al-30Zn\n\nInstallation\n============\n\npip (recommended)\n-----------------\n\nscheil is suggested to be installed from PyPI.\n\n.. code-block:: bash\n\n    pip install scheil\n\nAnaconda\n--------\n\n.. code-block:: bash\n\n    conda install -c conda-forge scheil\n\nDevelopment versions\n--------------------\n\nTo install an editable development version with pip:\n\n.. code-block:: bash\n\n    git clone https://github.com/pycalphad/scheil.git\n    cd scheil\n    pip install --editable .[dev]\n\nUpgrading scheil later requires you to run ``git pull`` in this directory.\n\nRun the automated tests using\n\n.. code-block:: bash\n\n    pytest\n\nTheory\n======\n\nUses 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\n\n1. Perfect mixing in the liquid\n2. Local equilibrium between solid and liquid\n3. No diffusion in the solid\n\n\nGetting Help\n============\n\nFor help on installing and using scheil, please join the `pycalphad/pycalphad Gitter room \u003chttps://gitter.im/pycalphad/pycalphad\u003e`_.\n\nBugs and software issues should be reported on `GitHub \u003chttps://github.com/pycalphad/scheil/issues\u003e`_.\n\nLicense\n=======\n\nscheil is MIT licensed. See LICENSE.\n\n\nCiting\n======\n\n.. image:: https://zenodo.org/badge/150358281.svg\n   :target: https://zenodo.org/badge/latestdoi/150358281\n\n\nIf you use the ``scheil`` package in your work, please cite the relevant version.\n\nThe following DOI, `doi:10.5281/zenodo.3630656 \u003chttps://doi.org/10.5281/zenodo.3630656\u003e`_, 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:\n\n::\n\n   Bocklund, Brandon, Bobbio, Lourdes D., Otis, Richard A., Beese, Allison M., \u0026 Liu, Zi-Kui. (2020, January 29). pycalphad-scheil: 0.1.2 (Version 0.1.2). Zenodo. http://doi.org/10.5281/zenodo.3630657\n\n::\n\n   @software{bocklund_brandon_2020_3630657,\n     author       = {Bocklund, Brandon and\n                     Bobbio, Lourdes D. and\n                     Otis, Richard A. and\n                     Beese, Allison M. and\n                     Liu, Zi-Kui},\n     title        = {pycalphad-scheil: 0.1.2},\n     month        = jan,\n     year         = 2020,\n     publisher    = {Zenodo},\n     version      = {0.1.2},\n     doi          = {10.5281/zenodo.3630657},\n     url          = {https://doi.org/10.5281/zenodo.3630657}\n   }\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpycalphad%2Fscheil","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fpycalphad%2Fscheil","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpycalphad%2Fscheil/lists"}