首页|First-principles study of the alloying effects on the structural stability and mechanical properties of L12-Pt3Hf
First-principles study of the alloying effects on the structural stability and mechanical properties of L12-Pt3Hf
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NSTL
Elsevier
L12-structure Pt3Hf alloy has potential application in the high temperature field due to its higher melting point and superior strength. As a candidate strengthening phase for designing Pt-based superalloys, the improvement of stability and mechanical properties of L12-Pt3Hf is crucial for its application. In this work, the alloying effect on the elastic properties, stacking fault energy, yield behavior and ductility of L12-Pt3Hf are investigated by using the first-principles methods. The results indicate that the dislocation dissociation bounding with a superlattice intrinsic stacking fault (SISF) is energetically favored, thus the yield stress anomaly (YSA) is absence in L12-Pt3Hf. V, Mo and W may change the deformation mode of L12-Pt3Hf, and they have a positive effect on improving the ductility. The analysis of electronic structure reveals that adding alloying elements close to or belonging to half-filled d-orbital is beneficial to improve the ductility of L12-Pt3Hf.
Alloying effectFirst principlesPt3HfSite preferenceStacking fault energy
Yao X.、Guo Y.-F.、Mao Y.
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Institute of Engineering Mechanics Beijing Jiaotong University
NSTL
Elsevier
