Al-based intermetallic L1 2 -Al 3 Sc exhibits a good performance in adsorbing NO molecule, and the maximum of adsorption energy reaches nearly 3 eV which corresponds to the significant elongation of N鈥揙 distance (more than 20%). The predicted results sho...
The structures, electronic properties, and surface energies of low-index surfaces of L12-Al3Sc intermetallic were studied systematically by the first-principles calculations based on density functional theory. The calculated results show that the relaxations are mainly localized within the outermost layer...
L12 Al3Sc and A l3Y are 0 .00455 G P a_ 。 and 0.00478 G P a _ 。, resp ect ively . C omp ared t o K 3C 6o, a fairly so ft mat erial wit h t h e volu me comp ressibilit y of d In /dP = - 0.036 GPa一 ,[27】L12 A l3Sc and A13Y ...
This work studies the impact of adding 0.5wt.% Si on the formation of Al 3 (Sc,Zr) L1 2 precipitates in a lean Al-Sc-Zr alloy. Precipitation kinetics are significantly accelerated when ageing at 300 and 375掳C in the presence of Si. At 375掳C, peak hardness occurs in a few ...
The structures, electronic properties, and surface energies of low-index surfaces of L12-Al3Sc intermetallic were studied systematically by the first-principles calculations based on density functional theory. The calculated results show that the relaxations are mainly localized within the outermost layer...
Ren-Nian Wang,Meng-Xue Zeng,Xiao-Jun Chen,Zhou-Sheng Mo,Bi-Yu Tang,Li-Ming Peng,Wen-Jiang Ding.Elastic properties of random L12–Al3(Sc0.5TM0.5) alloys from first-principle SQSs calculations[J]. Journal of Materials Science .2012(8)...
The Phase Stability, Thermodynamics Properties and Electronic Structures of L12-Type Al3Sc and Al3Y under High Pressures Al3Sc相稳定性热力学性质电子结构高压2型吉布斯自由能热膨胀系数摘要:doi:10.1088/0256-307X/31/8/088101vip中国物理快报(英文版)...
As the atomic radius of substitution elements TM in the same Period decreased, the values of C 12 and C 44 for L12–Al3(Sc0.5TM0.5) alloys exhibited an overall tendency of increase, implying an enhanced Poisson effect and larger resistance to {100} 〈001〉 shear. The elastic isotropy of...
Nix, A model for dislocation behavior during deformation of Al/Al3Sc (fcc/L12) metallic multilayers, Acta Mater. 51 (2003) 3157e3170.M.A. Phillips, B.M. Clemens, and W.D. Nix: A model for dislocation behavior during deformation of Al/Al3Sc (fcc/L12) metallic multilayers. Acta Mater...
Volkl, R., Yamabe-Mitarai, Y., Huang, C., and Harada, H. Stabilizing the L12 structure of Pt3Al(r) in the Pt Al-Sc system. Metallurgical and Materials Transactions A, vol. 36, 2005. pp. 2881-2892.VOLKL, R.,YAMABE-MITARAI,Y., HUANG, C. and HARADA, H. (2005). Stabilizing ...