This study investigated the influence of graded Zn content on the evolution of precipitated and iron-rich phases and grain struc-ture of the alloys,designed and developed the Al–8.0Zn–1.5Mg–1.5Cu–0.2Fe(wt%)alloy w...This study investigated the influence of graded Zn content on the evolution of precipitated and iron-rich phases and grain struc-ture of the alloys,designed and developed the Al–8.0Zn–1.5Mg–1.5Cu–0.2Fe(wt%)alloy with high strength and formability.With the increase of Zn content,forming the coupling distribution of multiscale precipitates and iron-rich phases with a reasonable matching ratio and dispersion distribution characteristics is easy.This phenomenon induces the formation of cell-like structures with alternate distribu-tion of coarse and fine grains,and the average plasticity–strain ratio(characterizing the formability)of the pre-aged alloy with a high strength is up to 0.708.Results reveal the evolution and influence mechanisms of multiscale second-phase particles and the corresponding high formability mechanism of the alloys.The developed coupling control process exhibits considerable potential,revealing remarkable improvements in the room temperature formability of high-strength Al–Zn–Mg–Cu alloys.展开更多
Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedra...Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedral local structures.To determine the microstructures of Zr–Cu clusters, the stable and metastable geometry of Zr_(n)Cu(n=2–12) clusters are screened out via the CALYPSO method using machine-learning potentials, and then the electronic structures are investigated using density functional theory. The results show that the Zr_(n)Cu(n ≥ 3) clusters possess three-dimensional geometries, Zr_(n)Cu(n≥9) possess cage-like geometries, and the Zr_(12)Cu cluster has icosahedral geometry. The binding energy per atom gradually gets enlarged with the increase in the size of the clusters, and Zr_(n)Cu(n=5,7,9,12) have relatively better stability than their neighbors. The magnetic moment of most Zr_(n)Cu clusters is just 1μB, and the main components of the highest occupied molecular orbitals(HOMOs) in the Zr_(12)Cu cluster come from the Zr-d state. There are hardly any localized two-center bonds, and there are about 20 σ-type delocalized three-center bonds.展开更多
基金supported by the National Key Research and Development Program of China(No.2021YFE0115900)the National Natural Science Foundation of China(Nos.52371016,51871029,and 51571023)the Opening Project of State Key Laboratory for Advanced Metals and Materials(Nos.2020-ZD02 and No.2022-Z03).
文摘This study investigated the influence of graded Zn content on the evolution of precipitated and iron-rich phases and grain struc-ture of the alloys,designed and developed the Al–8.0Zn–1.5Mg–1.5Cu–0.2Fe(wt%)alloy with high strength and formability.With the increase of Zn content,forming the coupling distribution of multiscale precipitates and iron-rich phases with a reasonable matching ratio and dispersion distribution characteristics is easy.This phenomenon induces the formation of cell-like structures with alternate distribu-tion of coarse and fine grains,and the average plasticity–strain ratio(characterizing the formability)of the pre-aged alloy with a high strength is up to 0.708.Results reveal the evolution and influence mechanisms of multiscale second-phase particles and the corresponding high formability mechanism of the alloys.The developed coupling control process exhibits considerable potential,revealing remarkable improvements in the room temperature formability of high-strength Al–Zn–Mg–Cu alloys.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.11864040,11964037,and 11664038)。
文摘Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedral local structures.To determine the microstructures of Zr–Cu clusters, the stable and metastable geometry of Zr_(n)Cu(n=2–12) clusters are screened out via the CALYPSO method using machine-learning potentials, and then the electronic structures are investigated using density functional theory. The results show that the Zr_(n)Cu(n ≥ 3) clusters possess three-dimensional geometries, Zr_(n)Cu(n≥9) possess cage-like geometries, and the Zr_(12)Cu cluster has icosahedral geometry. The binding energy per atom gradually gets enlarged with the increase in the size of the clusters, and Zr_(n)Cu(n=5,7,9,12) have relatively better stability than their neighbors. The magnetic moment of most Zr_(n)Cu clusters is just 1μB, and the main components of the highest occupied molecular orbitals(HOMOs) in the Zr_(12)Cu cluster come from the Zr-d state. There are hardly any localized two-center bonds, and there are about 20 σ-type delocalized three-center bonds.
基金the project of the Czech Science Foundation (No.20-19170S)the German Research Foundation (Deutsche Forschungsgemeinschaft (DFG))for financial support within the scope of project (No.SCHA 1484/46-1).
