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Title: Entropy of a subalgebra of observables and the geometric entanglement entropy
Authors:
;
Award ID(s):
1806428
Publication Date:
NSF-PAR ID:
10109763
Journal Name:
Physical Review D
Volume:
99
Issue:
8
ISSN:
2470-0010
Sponsoring Org:
National Science Foundation
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  1. The cluster expansion formalism for alloys is used to construct surrogate models for three refractory high-entropy alloys (NbTiVZr, HfNbTaTiZr, and AlHfNbTaTiZr). These cluster expansion models are then used along with Monte Carlo methods and thermodynamic integration to calculate the configurational entropy of these refractory high-entropy alloys as a function of temperature. Many solid solution alloy design guidelines are based on the ideal entropy of mixing, which increases monotonically with N, the number of elements in the alloy. However, our results show that at low temperatures, the configurational entropy of these materials is largely independent of N, and the assumption described above only holds in the high-temperature limit. This suggests that alloy design guidelines based on the ideal entropy of mixing require further examination.