Bo Sundman, Ursula R. Kattner, Mauro Palumbo, Suzana G. Fries
The use of thermodynamics in many applications in material science like simulation of phase trans- formation suffers from the lack of high quality open source software for calculations of multicomponent systems. The goal of the Open Calphad (OC) software is to bridge this gap. The OC software has a GNU license which makes it possible for the interested scientist to implement and test new ideas for models and algorithms. Currently such development can be done only using proprietary software. The assessment of model parameters using both experimental data and data from theoretical calculations like DFT will have increased efficiency using software that can be directly integrated in various applications.
Integrating Materials and Manufacturing Innovation
, Kattner, U.
, Palumbo, M.
and Fries, S.
Open Calphad - a free thermodynamic software, Integrating Materials and Manufacturing Innovation, [online], https://doi.org/10.1186/s40192-014-0029-1
(Accessed October 2, 2023)