Journal
ACTA MATERIALIA
Volume 100, Issue -, Pages 90-97Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2015.08.050
Keywords
High entropy alloys; Ab initio; Phase stability; Thermodynamics; Magnetism
Funding
- European Research Council under the EU's 7th Framework Programme (FP7)/ERC [290998]
- Deutsche Forschungsgemeinschaft (DFG) [KO 5080/1-1]
Ask authors/readers for more resources
We investigate the thermodynamic properties of the prototype equi-atomic high entropy alloy (HEA) CoCrFeMnNi by using finite-temperature ab Hilo methods. All relevant free energy contributions are considered for the hcp, fcc, and bcc structures, including electronic, vibrational, and magnetic excitations. We predict the paramagnetic fcc phase to be most stable above room temperature in agreement with experiment. The corresponding thermal expansion and bulk modulus agree likewise well with experimental measurements. A careful analysis of the underlying entropy contributions allows us to identify that the originally postulated dominance of the configurational entropy is questionable. We show that vibrational, electronic, and magnetic entropy contributions must be considered on an equal footing to reliably predict phase stabilities in HEA systems. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available