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 ...
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...
The calculated tensile stress in the rigid scheme is 15.30, 14.23, and 12.39 Gpa for L12-Al3Sc(0 0 1)/Al(0 0 1), L12-Al3Sc(1 1 0)/Al(1 1 0), and L12-Al3Sc(1 1 1)/Al(1 1 1) interfaces, respectively, whereas the corresponding tensile stress in the full-relaxed scheme ...
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 ...