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Xin ZHANG (张欣), Heng LI (李恒), Yuhong XU (许宇鸿), Qijun LIU (刘其军), Yangyang LIU (刘洋阳), Zilin CUI (崔子麟), Haifeng LIU (刘海峰), Xianqu WANG (王先驱), Jie HUANG (黄捷), Hai LIU (刘海), Jun CHENG (程钧), Ming LI (李明), Shaofei GENG (耿少飞), Changjian TANG (唐昌建), Guangjiu LEI (雷光玖). First-principles study on the mechanical properties and thermodynamic properties of Mo–Ta alloys[J]. Plasma Science and Technology, 2020, 22(6): 65601-065601. DOI: 10.1088/2058-6272/ab78bc
Citation: Xin ZHANG (张欣), Heng LI (李恒), Yuhong XU (许宇鸿), Qijun LIU (刘其军), Yangyang LIU (刘洋阳), Zilin CUI (崔子麟), Haifeng LIU (刘海峰), Xianqu WANG (王先驱), Jie HUANG (黄捷), Hai LIU (刘海), Jun CHENG (程钧), Ming LI (李明), Shaofei GENG (耿少飞), Changjian TANG (唐昌建), Guangjiu LEI (雷光玖). First-principles study on the mechanical properties and thermodynamic properties of Mo–Ta alloys[J]. Plasma Science and Technology, 2020, 22(6): 65601-065601. DOI: 10.1088/2058-6272/ab78bc
  • The mechanical properties, thermodynamic properties and electronic structure of Mo1−xTax (Mo–Ta) alloys (x = 0, 0.0625, 0.125, 0.25, 0.3125, 0.5 and 1) were calculated by using firstprinciples. The electronic structure of Mo–Ta alloys was analysed by the projected density of states (PDOS). The low temperature heat capacity was estimated by Fermi energy and Debye temperature. It is shown that the formation enthalpy will decrease with the increase of Ta content, and the cohesive energy will increase with the increase of the Ta content. On the other hand, the addition of Ta atoms will reduce the strength and improve the ductility of Mo–Ta alloys, the Debye temperature will decrease and the low temperature heat capacity will be improved with the increase of the Ta content. All these results will be useful for the research of new plasma grid (PG) materials, which is mainly used in neutral beam injection (NBI) systems to produce negative hydrogen ions.
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