Magnetic Phase Transition, Elastic and Thermodynamic Properties of L12-(Ni,Cu)3(Al,Fe,Cr) in 3d High-Entropy Alloys

Crystals

Guo-Hua Huang¹  Li Ma¹  Jin-Li Huang¹  Ping-Ying Tang¹  Zhi-Peng Wang²  Tou-Wen Fan² 

[1] Key Laboratory of New Electric Functional Materials of Guangxi Colleges and Universities, Nanning Normal University, Nanning, Guangxi 530023, China;School of Material Science and Energy Engineering, Foshan University, Foshan, Guangdong 528001, China;

关键词: L1₂ structure;    high-entropy alloys;    elastic properties;    thermodynamic properties;    magnetic phase transition;   

DOI  :  10.3390/cryst10121102

来源: DOAJ

【 摘 要 】

The phase stability and elastic properties of paramagnetic (PM), ferromagnetic (FM) and antiferromagnetic (AFM) phases in L1₂-(Ni,Cu)₃(Al,Fe,Cr) alloy are first investigated using the exact muffin-tin orbitals (EMTO) method in combination with the coherent potential approximation (CPA). The result shows the AFM structure phase of the three is the most stable in the ground state. Calculated elastic constants show that all the phases are mechanically stable, and have uncovered that L1₂-(Ni,Cu)₃(Al,Fe,Cr) can achieve good strength and ductility simultaneously. Then, crucial thermal properties are described satisfactorily using the Debye–Grüneisen model, showing heat capacity, Gibbs free energy G, the competitive contribution of entropy −TS and enthalpy H exhibiting significant temperature dependences. Moreover, the magnetic phase transition thermodynamics was studied, which suggests that −TS has a primary contribution to Gibbs free energy and may play a key role in the phase transition. The present results can benefit the understanding of the mechanical, thermodynamic and magnetic properties of the L1₂ structure phase in 3d high-entropy alloys.

【 授权许可】

Unknown