The ab initio method has been performed to explore the elastic and optical properties of Al3Sc compound, based on a plane wave pseudopotential method. It can be seen that the calculated equilibrium lattice parameter a...The ab initio method has been performed to explore the elastic and optical properties of Al3Sc compound, based on a plane wave pseudopotential method. It can be seen that the calculated equilibrium lattice parameter and elastic constants are in reasonable agreement with the previous experimental data. The elastic constants satisfy the requirement for mechanical stability in the cubic structure of the Al3Sc compound. The optical property calculations show that a strong absorptive peak exists from O-15eV and a relative small absorptive peak exists around 30eV. The form is caused by the optical transitions between high s, p, and d bands, and the latter results from the optical transitions from high s, p, and d bands to the low 2p band.展开更多
The Al-9Zn-2.8Mg-2.5Cu-xZr-ySc alloys （x=0, 0.15%, 0.15%; y=0, 0.05%, 0.15%）, produced by low-frequent electromagnetic casting technology, were subjected to homogenization treatment, hot extrusion, solution and agin...The Al-9Zn-2.8Mg-2.5Cu-xZr-ySc alloys （x=0, 0.15%, 0.15%; y=0, 0.05%, 0.15%）, produced by low-frequent electromagnetic casting technology, were subjected to homogenization treatment, hot extrusion, solution and aging treatment. The effects of minor Sc and Zr addition on microstructure, recrystallization and properties of alloys were studied by optical microscopy （OM）, scanning electron microscopy （SEM） and transmission electron microscopy （TEM）. The results show that Sc and Zr addition can refine grains of the as-cast alloy by precipitation of primary Al3（Sc,Zr） particles formed during solidification as heterogeneous nuclei. Secondary Al3（Sc,Zr） precipitates formed during homogenization treatment strongly pin the movement of dislocation and subgrain boundaries, which can effectively inhibit the alloys recrystallization. Compared with the alloy without Sc and Zr addition, the Al-Zn-Mg-Cu-Zr alloy with 0.05%Sc and 0.15%Zr shows the increase in tensile strength and yield strength by 172 MPa and 218 MPa, respectively. Strengthening comes from the contributions of precipitation, substructure and grain refining.展开更多
基金National Natural Science Foundation of China(Nos.52001140,52274363)Guangdong Basic Applied Basic Research Foundation,China(Nos.2022A1515010558,2022A1515011597,2022A1515240065)。
基金the Hunan Provincial Natural Science Foundation of China （No. 07JJ3117）Chinese Postdoctoral Scientific Foundation （No. 20070410303）.
文摘The ab initio method has been performed to explore the elastic and optical properties of Al3Sc compound, based on a plane wave pseudopotential method. It can be seen that the calculated equilibrium lattice parameter and elastic constants are in reasonable agreement with the previous experimental data. The elastic constants satisfy the requirement for mechanical stability in the cubic structure of the Al3Sc compound. The optical property calculations show that a strong absorptive peak exists from O-15eV and a relative small absorptive peak exists around 30eV. The form is caused by the optical transitions between high s, p, and d bands, and the latter results from the optical transitions from high s, p, and d bands to the low 2p band.
基金Project(0211002605132)supported by Institute of Multipurpose Utilization of Mineral Resources,Chinese Academy of Geological Sciences,ChinaProject(0211005303101)supported by the Fundamental Research Funds for the Central Universities,China+1 种基金Project(2010BB4074)supported by Natural Science Foundation Project of CQ CSTC,ChinaProject(2010ZD-02)supported by State Key Laboratory for Advanced Metals and Materials,China
文摘The Al-9Zn-2.8Mg-2.5Cu-xZr-ySc alloys （x=0, 0.15%, 0.15%; y=0, 0.05%, 0.15%）, produced by low-frequent electromagnetic casting technology, were subjected to homogenization treatment, hot extrusion, solution and aging treatment. The effects of minor Sc and Zr addition on microstructure, recrystallization and properties of alloys were studied by optical microscopy （OM）, scanning electron microscopy （SEM） and transmission electron microscopy （TEM）. The results show that Sc and Zr addition can refine grains of the as-cast alloy by precipitation of primary Al3（Sc,Zr） particles formed during solidification as heterogeneous nuclei. Secondary Al3（Sc,Zr） precipitates formed during homogenization treatment strongly pin the movement of dislocation and subgrain boundaries, which can effectively inhibit the alloys recrystallization. Compared with the alloy without Sc and Zr addition, the Al-Zn-Mg-Cu-Zr alloy with 0.05%Sc and 0.15%Zr shows the increase in tensile strength and yield strength by 172 MPa and 218 MPa, respectively. Strengthening comes from the contributions of precipitation, substructure and grain refining.
