  In this degree work, a theoretical computational study on high entropy alloys
(HEAs) was carried out. Two specific alloys were chosen for study, AlCoCrFeNi
and TiVZrNbHf. The study was based on the parameters deduced from the
Hume-Rothery rules, thermodynamics and the configurational (or mixing) elastic
energy. The enthalpy of formation was studied as a contribution due to the
configurational elastic energy, with the objective of being able to know which
are the chemical elements and their respective molar proportions, in such a way
that the formation of HEAs and the storage of hydrogen are favoured. To achieve
this, a FORTRAN90 program was developed, which allowed a wide variety of
results that are generally in agreement with the theoretical-experimental
literature. In general, it was found that the approximation that exists by
considering that the HEAs are elastically isotropic is correct, where it was
assumed that there is an equivalent average Bulk Modulus for each atomic
species.
