【摘 要】
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A systematic study of the equilibrium volume and the stacking fault energy (γsF) at 0 K resulting from induced alias shear deformation has been performed b
【机 构】
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State Key Lab of Powder Metallurgy, Central South University, Changsha, 410083, China
【出 处】
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第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con
论文部分内容阅读
A systematic study of the equilibrium volume and the stacking fault energy (γsF) at 0 K resulting from induced alias shear deformation has been performed by means of first-principles calculations for dilute Al-based alloys (Al23X and Al71X), where X =Al, Ag, Be, Ca, Cd, Cu, Cr, Fe, Ga, Ge, Hf, In, K, La, Li, Mg, Na, Pb, Sc, Sn, Sr, Si, Ti, V, Zn, and Zr.The following conclusions are obtained: the alloying elements Na, Si, K, Ca, Sc, Ga, Ge, Sr, Zr, In, Sn, La, Hf, and Pb decrease the stacking fault energy of fcc Al, while, Ag, Be, Cd, Cu, Cr, Fe, Li, Mg, Ti, V, and Zn studied herein increase the γsF of fcc Al.Among all the alloying elements which decrease the γsF of fcc Al, adding a La atom can decrease the γsF most.It can also be found that the γsF of Al-X decreases with increasing equilibrium volume roughly.In addition ,the present computed stacking fault energies are in favorable accordance with available experimental and theoretical data for the common alloying elements in binary and ternary alloys: Al, Mg, Cu, Cr, Fe, Ga, Ge, Si, Ti, and Zn.
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