Study of Effect of Zr Microalloying on Mechanical Properties of NiAl based on the First-principle Calculation AITranslate
Abstract AITranslate
To determine the optimum Zr content for improving low-temperature ducti effects of Zr concentration on the mechanical properties of NiAl were calculated and lity of NiAl alloy,the analyzed, using first- principle pseudopotential plane-wave method and based on virtual crystal potential function approximation. The results from the elastic modulus calculation and analysis show that with Zr molar content of about 0.01% ,Zr-alloyed B2-NiAl crystal has the maximum hardness and the lowest ductility. With Zr molar co- ntent of about 0.02%and 0.05% ,the crystal has the minimum hardness and the best ductility,respective- ly. Compared with pure NiA1 crystal, Zr-alloyed crystal has obviously-improved hardness with Zr molar content of 0.3 %- 0.45% ,and effectively-improved ductility with Zr molar content of 0.1%-0.45%.
KeyWords AITranslate
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Basic Information:
DOI：
Chinese Library Classification Number:TG146.414[金属学及工艺—金属材料]
Citation Information:
To determine the optimum Zr content for improving low-temperature ducti effects of Zr concentration on the mechanical properties of NiAl were calculated and lity of NiAl alloy,the analyzed, using first- principle pseudopotential plane-wave method and based on virtual crystal potential function approximation. The results from the elastic modulus calculation and analysis show that with Zr molar content of about 0.01% ,Zr-alloyed B2-NiAl crystal has the maximum hardness and the lowest ductility. With Zr molar co- ntent of about 0.02%and 0.05% ,the crystal has the minimum hardness and the best ductility,respective- ly. Compared with pure NiA1 crystal, Zr-alloyed crystal has obviously-improved hardness with Zr molar content of 0.3 %- 0.45% ,and effectively-improved ductility with Zr molar content of 0.1%-0.45%.
quote
| GB/T 7714-2015 | [1] LIU You-cheng, ZHOU Dian-wu, GAO Li-jie. Study of Effect of Zr Microalloying on Mechanical Properties of NiAl based on the First-principle Calculation[J]. Rare Metals and Cemented Carbides, 2013(4): 47-51. |
| MLA | [1] LIU You-cheng, et al., "Study of Effect of Zr Microalloying on Mechanical Properties of NiAl based on the First-principle Calculation." Rare Metals and Cemented Carbides, no. 4, 2013, pp. 47-51. |
| APA | [1] LIU You-cheng, ZHOU Dian-wu, & GAO Li-jie. (2013). Study of Effect of Zr Microalloying on Mechanical Properties of NiAl based on the First-principle Calculation. Rare Metals and Cemented Carbides(4), 47-51. |
| IEEE | [1] LIU You-cheng, ZHOU Dian-wu, and GAO Li-jie, "Study of Effect of Zr Microalloying on Mechanical Properties of NiAl based on the First-principle Calculation," Rare Metals and Cemented Carbides, no. 4, pp. 47-51, 2013. keywords: {B2-NiAl;Zr microalloying;pseudopotential plane wave method;virtual crystal potential function approximation;elastic modulus;first-principle calculation} |