张志鹏同学论文被 Model Simul Mater Sc 期刊接收

由段老师指导、张志鹏同学独立完成题目为“A systematic investigation on quaternary NbTiZr-based refractory high entropy alloys using empirical parameters and first principles calculations”的论文被期刊Modelling and Simulation in Materials Science and Engineering接收。

该文章基本信息如下：

• 标题：A systematic investigation on quaternary NbTiZr-based refractory high entropy alloys using empirical parameters and first principles calculations

• 作者：Xianbao Duan, Zhipeng Zhang, Huizhen He, Zhitian Liu, Xianyin Duan and Bin Shan

• 摘要：Quaternary NbTiZr-based refractory high entropy alloys (RHEAs) have been studied in present work systematically based on empirical parameters and first principles calculations. Firstly, some simple rules based on the elemental properties are applied to screen out all possible elements in the quaternary NbTiZr-based RHEAs. Then, several commonly used empirical parameters, such as atomic size mismatch, average mixing enthalphy, the parameter Ω, are used to screen out the alloys which have a great potential of forming a single-phase solid solution from the remaining alloys. Finally, first principles method is employed to calculate the elastic properties for all screened NbTiZr-based RHEAs, and the mechanical performance of each alloy is evaluated accordingly. The results show that the quaternary NbTiZr-based RHEAs containing Al, Cr, Hf, Mo, Ta, V, W are the most likely to form a single-phase solid solution with BCC structure. Furthermore, the alloys containing W, Ta, and Mo will have high strength, while the alloys containing Al, Hf, and V will have good ductility. This work can provide guidance for the selection of the fourth element in the quaternary NbTiZr-based alloy.

• 期刊：Modelling and Simulation in Materials Science and Engineering

• 链接：https://iopscience.iop.org/article/10.1088/1361-651X/ac1bfa

Modelling and Simulation in Materials Science and Engineering 是计算材料领域有广泛影响力的期刊，在中科院分区中属于材料大类3区期刊。