Statistical data set for first-principles calculations of stacking fault energies in an AlNbTaTiV high entropy alloy.

ABSTRACT: High-entropy alloys (HEA), a new class of engineering alloy, are characterized by high concentrations of multiple main elements. These alloys have revealed a vast and largely unexplored compositional space that gives substantial promise for the discovery of new and interesting alloys and properties. In this data article, calculated data and applied inferential statistics are given for six structures related to the calculation of stacking fault energy in a refractory AlNbTaTiV BCC high-entropy alloy (HEA). Global populations of 120 atomic permutations of a special quasirandom structure are calculated for four of the six structures, and a complete statistical inference analysis is performed. Partial sample distributions are created for two of the six structures, and the trends and statistica

SUBMITTER: Strother JD 

PROVIDER: S-EPMC7779754 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature