Effects of vacancy on the thermodynamic properties of Co-Cr-Fe-Mn-Ni high-entropy alloys

important product damage, vacancy topic worthy discussion, especially high-entropy alloys (HEAs). In this work, the phonon density of states (DOS) and thermodynamic properties of Co-Cr-Fe-Mn-Ni HEAs with the vacancy are studied based on the first-principles method. We find that the atomic radius dependent on local chemical environment is related to the phonon information and vibration entropy on the equal molar CoCrNi, CoCrFeNi and CoCrFeMnNi. The vacancy leads to an increase in the vibrational entropy and heat capacity. (c) 2021 Elsevier B.V. All rights reserved.

Automated summary

In this study, the phonon density of states and thermodynamic properties of Co-Cr-Fe-Mn-Ni high-entropy alloys with vacancies were investigated using the first-principles method. It was found that the atomic radius, dependent on the local chemical environment, is related to phonon information and vibrational entropy. Vacancies were observed to increase vibrational entropy and heat capacity.