Equilipy
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
There is high demand for high-throughput calculations of phase equilibria based on the CALPHAD method (CALculation of PHAse Diagram). High-throughput calculations are possible through HPC, currently by a commercial program called Thermo-Calc. However, the number of nodes/processors are limited to the number of purchased license (16 processors per license). This program provides a toolkit for high-throughput calculations of phase equilibria by the CALPHAD method. The program is prepared for Python environment, so that it can be easily installed and used together with other open-source programs. The program can be run in supercomputer.
- Software Type:
- Scientific
- License(s):
- BSD 3-clause "New" or "Revised" License
- Programming Language(s):
- Fortran; Python
- Research Organization:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)Primary Award/Contract Number:AC05-00OR22725
- DOE Contract Number:
- AC05-00OR22725
- Code ID:
- 124191
- OSTI ID:
- code-124191
- Country of Origin:
- United States
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