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
The damage characteristics of different speed sections of Cu−Cr−Zr alloy rail after simulated launch were studied.The microstructure,morphologies and properties of samples were investigated by using XRD,XPS,EBSD,SEM,h...The damage characteristics of different speed sections of Cu−Cr−Zr alloy rail after simulated launch were studied.The microstructure,morphologies and properties of samples were investigated by using XRD,XPS,EBSD,SEM,hardness test,electrochemical test and DSC techniques.It was found that deposition layers were formed on the surfaces of the simulated launch samples.The thickness and surface roughness of these deposition layers increased with increasing the heat effect,suggesting a launch speed dependent damage degree of the arc ablation.The hardness variation of samples is attributed to the effects of the deposition layer and deformation hardening.The surface deposition layer affects corrosion resistance and crystalline characteristics,leading to changes in subsequent service performances.Additionally,the surface texture and plastic deformation ability of the samples are related to the recrystallization degree and deformation grain amount.展开更多
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 Key Research and Development Program of China(No.2022YFB2404102)the National Natural Science Foundation of China(Nos.51971093,52171158,52101196)+5 种基金the Key Research and Development Program of Shandong Province,China(Nos.2020ZLYS11,2021ZLGX01,2022CXGC020308,2023CXGC010308)the Major Innovation Projects of Shandong Province,China(Nos.2020CXGC010701,2020CXGC010702)the Young Taishan Scholars,China(No.tsqn202211184)the Shandong Provincial Natural Science Foundation,China(No.ZR2022ME137)the Yantai Science and Technology Planning Project,China(No.2021ZDCX001)the Open Project Program of Shandong Marine Aerospace Equipment Technological Innovation Center(Ludong University),China(No.MAETIC2021-11).
文摘The damage characteristics of different speed sections of Cu−Cr−Zr alloy rail after simulated launch were studied.The microstructure,morphologies and properties of samples were investigated by using XRD,XPS,EBSD,SEM,hardness test,electrochemical test and DSC techniques.It was found that deposition layers were formed on the surfaces of the simulated launch samples.The thickness and surface roughness of these deposition layers increased with increasing the heat effect,suggesting a launch speed dependent damage degree of the arc ablation.The hardness variation of samples is attributed to the effects of the deposition layer and deformation hardening.The surface deposition layer affects corrosion resistance and crystalline characteristics,leading to changes in subsequent service performances.Additionally,the surface texture and plastic deformation ability of the samples are related to the recrystallization degree and deformation grain amount.
