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In this degree work, a theoretical computational study on high entropy alloys(HEAs) was carried out. Two specific alloys were chosen for study, AlCoCrFeNiand TiVZrNbHf. The study was based on the parameters deduced from theHume-Rothery rules, thermodynamics and the configurational (or mixing) elasticenergy. The enthalpy of formation was studied as a contribution due to theconfigurational elastic energy, with the objective of being able to know whichare the chemical elements and their respective molar proportions, in such a waythat the formation of HEAs and the storage of hydrogen are favoured. To achievethis, a FORTRAN90 program was developed, which allowed a wide variety ofresults that are generally in agreement with the theoretical-experimentalliterature. In general, it was found that the approximation that exists byconsidering that the HEAs are elastically isotropic is correct, where it wasassumed that there is an equivalent average Bulk Modulus for each atomicspecies.

Estudio de materiales para la formacion de aleaciones de alta entropia utilizables en el almacenamiento de hidrogeno