Please I am a self-sponsoring PhD student working on the development of a senary high entropy alloy. I am stuck as I do not have a CALPHAD software to design my alloy. Please how do I move ahead as I do not have the huge amount of money required for database and license?
The demo oracademic versions of Thermo-Calc are limited to 3 components. You cannot use it for HEA alloys applications.
Best regards
Hello, I think you should reconsider if you really need a CALPHAD. CALPHAD results sometimes, especially for a completely new HEA system, are not in agreement with experimental results. You can try the parametric approach (calculation of mixing entropy and enthalpy, atomic size difference, electronegativity difference, valence electron concentration, omega for given composition). You can find many papers, e.g.Article Phase Stability of Low-Density, Multiprincipal Component All...
Article Microstructures and Properties of High-entropy Alloys
Hello,
If you want to design a specific HEA alloy using a Calphad database, you can download an open source package like Open Calphad:
http://www.opencalphad.com/
You can develop your own database from the literature. As already mentioned, take care about the discrepancies that may appear between the thermodynamic calculations and the experimental results when extrapolating towards complex alloys.
Best regards
The demo oracademic versions of Thermo-Calc are limited to 3 components. You cannot use it for HEA alloys applications.
Best regards
Tomasz Stasiak thanks a lot for your response. I have actually done my design using the empirical parameters you mentioned. However, I intend to conduct high throughput design calculations using a Calphad software (either Pandat or thermocalc) to compare results from the two approaches before producing selected alloys. To ensure good agreement with experimental results, good database is required. Gossé Stéphane thanks for your contribution too. I hope to look for a school where I can be an exchange student and hence have access to their software. Where this is not possible, I guess I would have to either use the OpenCalphad software or just stick to my empirical results.
Dear Chima Ugwuegbu ,
You may download the academic version (Validity 365 days and upto max 3 elements, but the elements available are also selective and not all possible combinations). You can use OpenCalphad software or compile your own Thermodynamic database (.TDB file). The .TDB file is compatible with the graphical and console mode of Thermo-Calc (Even the academic version). But development of multicomponent alloy database is not an easy task. For that you need the Gibbs energy descriptions/ Calphad assesment of the possible phases in the multicomponent space. Also you need to know how to write a .TDB file. For a typical format you may refer to the NIMS computational phase diagram database. Once the .TDB file is ready you can run it by selecting a "USER defined database".
Hope this will help you to some extent!
Best regards,
GM
- Badges
- Science topic
- Similar topics
- Physical Sciences
- Materials Science
- Materials
- Inorganic Materials
- Metals
- Alloys