التفاصيل البيبلوغرافية
| العنوان: |
First-principle prediction of structural and mechanical properties in NbMoTaWRex refractory high-entropy alloys with experimental validation. |
| المؤلفون: |
Mo, Jin-Yong, Wan, Yi-Xing, Zhang, Zhi-Bin, Wang, Xin, Li, Xiao-Qing, Shen, Bao-Long, Liang, Xiu-Bing |
| المصدر: |
Rare Metals; Oct2022, Vol. 41 Issue 10, p3343-3350, 8p |
| Abstract (English): |
In this work, the effect of Re alloying on the phase composition, crystal structure, and mechanical properties of NbMoTaWRex (x = 0, 0.27, 0.57, 0.92, 1.33) refractory high-entropy alloys (RHEAs) were systematically investigated by combining the calculation of phase diagram (CALPHAD), first-principle calculations and experiment. The theoretical predictions showed good consistency with the experimental results. As the increase in Re content, the theoretical results showed that all considered alloys have a single body-centered cubic (bcc) structure and the lattice constant and ductility were decreased, while the elastic moduli and hardness were improved. To avoid extreme brittleness, a strategic suggestion was given for the design of Re-containing RHEAs in the future. [ABSTRACT FROM AUTHOR] |
| Abstract (Chinese): |
摘要: 本文结合相图计算 (CALPHAD)、第一性原理和实验研究了Re元素合金化对NbMoTaW合金的相、晶体结构及力学性能的影响。理论计算的结果与实验结果符合较好。随着Re元素的添加, 所有NbMoTaWRex (x = 0, 0.27, 0.57, 0.92, 1.33)合金均为单相体心立方(bcc)结构, 晶格常数和材料展性逐渐降低, 而弹性模量及硬度在逐渐增大。为了避免材料出现极端脆性, 本文提出了系统性的策略以指导未来含Re高熵合金的设计。 [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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