Effect of Ta addition on the structural, thermodynamic and mechanical properties of CoCrFeNi high entropy alloys.

ABSTRACT: Ta addition has considerable effects on the microstructures and mechanical performances of CoCrFeNi alloy systems. Structure search with the special quasirandom structure method and structure identification with first-principles calculations were carried out to investigate the structural, thermodynamic and mechanical properties of CoCrFeNiTa _x (x = 0.0-1.0) high-entropy alloys in the fcc and bcc lattice frameworks. The predicted lattice parameters of identified structures are in agreement with available experiments. Phase transition between the fcc and bcc lattices was predicted for the lowest-energy structures with increasing Ta content. The predicted temperature dependence of specific heat capacity for the identified structures matches well with the Dulong-Petit,

SUBMITTER: Du Z 

PROVIDER: S-EPMC9119285 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature