Lattice distortions constitute one of the main features characterizing high entropy alloys. Local lattice distortions have, however, only rarely been investigated in these multi-component alloys. We, therefore, employ a combined theoretical electronic structure and experimental approach to study the atomistic distortions in the FeCoNiCrMn high entropy (Cantor) alloy by means of density-functional theory and extended X-ray absorption fine structure spectroscopy. Particular attention is paid to element-resolved distortions for each constituent. The individual mean distortions are small on average, <1%, but their fluctuations (i.e., standard deviations) are an order of magnitude larger, in particular for Cr and Mn. Good agreement between theory and experiment is found.
|Journal||Entropy: international and interdisciplinary journal of entropy and information studies|
|Publication status||Published - 2016|
- high entropy alloy
- lattice distortions
- density functional theory
- extended X-ray absorption fine-structure spectroscopy
- OA-Fund TU Delft