磁制冷
居里温度
合金
材料科学
热力学
微观结构
从头算
绝热过程
从头算量子化学方法
高熵合金
凝聚态物理
铁磁性
磁化
冶金
磁场
化学
分子
有机化学
物理
量子力学
作者
Shuo Huang,Zhihua Dong,Wangzhong Mu,Valter Ström,Guocai Chai,Lajos K. Varga,Olle Eriksson,Levente Vitos
摘要
High-entropy functional materials are of great interest in materials science and engineering community. In this work, ab initio electronic structure calculations of the phase stability and magnetic transition temperature of AlxCr0.25MnFeCo0.25−yNiy (x = 0–0.5, y = 0–0.25) alloys were performed to screen for compositions showing promising magnetocaloric properties in the vicinity of room temperature. The selected Al0.44Cr0.25MnFeCo0.05Ni0.2 alloy was synthesized via a rapid solidification technique and systematically characterized with respect to its structural and magnetocaloric properties. The results indicate that this alloy possesses a homogeneous microstructure based on an underlying body-centered cubic lattice and has a Curie temperature of ∼340 K. The temperature dependence of the adiabatic temperature change was evaluated using both direct and indirect methods. The ab initio-assisted design of 3d-metal-based high-entropy alloys, explored here, is intended to contribute to the development of magnetic refrigerators for room-temperature applications.
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