화학공학소재연구정보센터
Materials Chemistry and Physics, Vol.210, 259-268, 2018
Electronegativity and enthalpy of mixing biplots for High Entropy Alloy solid solution prediction
Analysis of the applicability of different electronegativity scales (X-Allen. X-Pauling, and X-Mulliken) as a replacement for the empirical valence electron concentration (VEC) parameter to determine High Entropy Alloy (HEA) solid-solution stability is performed, using statistical methods (via cluster analysis and probability density function). The analysis is conducted on a dataset consisting of 617 entries. The results show that X-Allen is better suited to predict solid-solution stability when utilising only one parameter. However, substituting X-Allen for X-Mulliken offers better prediction in a biplot with the enthalpy of mixing (Delta H). An analysis of the VEC-Delta H biplot shows that phase separation in the biplots can be attributed to changes in the electronic structure. (C) 2017 Elsevier B.V. All rights reserved.