MAAT (Materials Analysis Applying Thermodynamics) is a thermodynamic platform designed to calculate Gibbs free energy formation of solid solution, amorphous solution, and intermetallic compounds in binary and ternary systems.

 

Also, it is possible to obtain plots of overall enthalpy of mixing, chemical, and elastic enthalpy of mixing as well as the entropy of mixing. The calculation for chemical mixing enthalpy is carried out based on Miedema’s model [1–5]. The entropy of mixing is calculated just considering the ideal configurational term.  It is possible to obtain plots of activity of constituents as a function of the composition, whether in binary and ternary systems.

 

A novel feature that MAAT includes, is the possibility to compute the effect of surfaces, dislocation, and centrifugal fields, over the Gibbs free energy values of solid and amorphous solutions of binary and ternary systems.

 

MAAT runs in 32/64 bits Windows systems. It requires 2 GB of disk space. For downloading, please fill the next form. A brief tutorial is available.

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For any suggestion, detected errors, or comments, please send us an email at rpm.usm@gmail.com.

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Please cite at least one of the articles below, whenever you publish results obtained or based on the aim of MAAT.

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Aguilar C, Martin P, Pio E, Salvo C, Neves GO. Materials analysis applying thermodynamic (MAAT) software: A friendly and free tool to analyze the formation of solid solutions, amorphous phases, and intermetallic compounds. Computer Physics Communications (2020), 107573.  https://doi.org/10.1016/j.cpc.2020.107573

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G.O. Neves, E. Pio, P. Martin, C. Aguilar, C. Binder, A.N. Klein, Semi-empirical computational thermodynamic calculations used to predict carbide dissociation in Fe matrix, Materials Chemistry and Physics 240 (2020),122313. https://doi.org/10.1016/j.matchemphys.2019.122313.

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Download Tutorial PDF

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Download Software

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References

 

[1]      A.R. Miedema, R. Boom, F.R. De Boer, On the heat of formation of solid alloys, J. Less Common Met. 41 (1975) 283–298. doi:http://dx.doi.org/10.1016/0022-5088(76)90180-6.

[2]      A.R. Miedema, P.F. de Châtel, F.R. de Boer, Cohesion in alloys—fundamentals of a semi-empirical model, Phys. B. 100 (1980) 1–28. doi:http://dx.doi.org/10.1016/0378-4363(80)90054-6.

[3]      A.R. Miedema, On the heat of formation of solid alloys II, J. Less Common Met. 46 (1976) 67–83. doi:10.1016/0022-5088(75)90034-X.

[4]      A.R. Miedema, A simple model for alloys II, Philips Tech. Rev. 33 (1973) 196–202.

[5]      A.R. Miedema, A simple model for alloys I, Philips Tech. Rev. 33 (1973) 149–161.