Comments (7)
The sim-alnipt.F90 is the main program, if you compiled and linked it as described in the README file th program should start by asking for an input file. I provided one with the setup.DAT file
You can edit that if you want to test some other compositions or temperatures.
For simulating some other system you have probably to modify the main program.
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Hello professor Sundman, thank you for your kind reply. I compiled and linked the program sim-alnipt.F90 with Linksim script, then the program sim1 asks for the input file. But I couldn't find the file setup.DAT that you cited, what is the path to that file?
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Thanks Professor Sundman, I was able to successfully reproduce the example with the input file you provided. Now I'm going to try to adapt it to my alloy. Thank you very much
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Thank you very much for your considerations Professor Sundman, it helped me a lot to understand how the calculations are being done. The use of the product of mobility (in mol/m²/s) by the chemical potential to obtain the mass flow is genious. But I'm still wondering how opencalphad calculates mobility in order to provide the result in units of mol/m²/s, would you have any recommendations of reading about the model?
I built a mobility database for a multicomponent alloy based on MQ parameter of binary systems. The values that opencalphad is providing as mobility are just the diffusion activation energy, which would be in J/mol. Therefore, I don't know what other parameter should be indicated for the calculation to result in the units of mol/m²/s. If you have any tips on this. I greatly appreciate your availability. And if I publish something about it I will gladly send you a copy.
Best regards
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Related Issues (20)
- Error at gtp3.F90:1880 while compiling HOT 3
- Can the opencalphad calculate the solidification route of alloys by the Scheil model? HOT 1
- Error in running tests in TQ3lib-clean HOT 2
- OpenCalphad build with MinGW HOT 7
- Gnuplot plotting HOT 1
- Problem with TP functions with real powers, and SOLGASMIX converter HOT 4
- Error 4244 at peritectic reaction HOT 2
- Calculation of a surrounded single in a diagram. HOT 1
- Modeling ordered phases with more then 1 interstitial sublattice HOT 2
- Mapping problems HOT 1
- Segmentation fault HOT 4
- OCASI compilation failure HOT 2
- fpm support HOT 5
- start.OCM causes crash HOT 7
- Too complicated TP function term HOT 1
- Defining components HOT 2
- Waiting time/ Scheil solidification calculation HOT 6
- Identifiers or acronyms HOT 2
- Legend/subtitles/set position HOT 2
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