L12-Al3Sc的成键电荷密度呈纺锤状,表现出Sc d-Al p的轨道杂化效应,其杂化轨道主要为Sc dz2-Al pz轨道杂化。 关键字: L12-Al3Sc;点缺陷结构;第一性原理计算;成键行为;杂化Calculation of point defect structures and bonding behavior of L12-Al3Sc intermetallic based on first-principles SUN Shun-ping1...
Temperature dependence of dislocation structure of LI2 - Al3 Sc[J]. Materials Science and Engineering 1997,A239 - 240: 202 - 205.Fukunaga K., Shouji T., and Miura Y., "Temperature dependence of dislocation structure of L12-Al3Sc ", Mater. Sci. Eng. A 239, 202 (1997)....
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 ...
L12Al3Sc 点缺陷的主要存在形式,结合电荷密度和态密度的分析揭示 L12Al3Sc 的成键行为.结果表明: L12Al3Sc 的晶格常数为 4.107 Å,体模量为 86.5 GPa,形成焓为−43.83 kJ/mol.L12Al3Sc 的点缺陷主要为 Al 亚 晶格上的 Al 空位和 Sc 反位...
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 generalized stacking fault (GSF) energy curves along the 〈110〉 direction on {111} slip plane for L12 Al3Sc and Al3Mg are calculated within the framework of density functional theory (DFT), and anti-phase boundary (APB) energies are obtained. Then the structures and properties of ...
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, W.D. Nix, A model for dislocation behavior during deformation of Al/Al3Sc (fcc/L12) metallic multilayers, Acta Mater. 51...