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Bonding Characteristics of the Intermetallic Compound Al_3Ti+Cr

Senying LIU , Rongze HU , Dongliang ZHAO and Chongyu WANG (Central Iron and Steel Research Institute , Beijing 100081 , China)Ping LUO (National Research Center for Certified Material , Beijing 100013 , China)Zhongjie PU (Florida International University , Miami

材料科学技术（英文）

Based on our structural model and a tight-binding Hamiltonian the eIectronic structure has been calculated by use of a recursion method (RM) for two models of the tetragonal DO22 and the cubic Ll2 crystal structures in Al3Ti+Cr for contrast, from which bonding characteristics have been discussed. Th...

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Electronic Structure Effect on Model Cluster for L1_2 Structure of Al_3Ti Intermetallic Compound with an Addition of Alloying Elements Fe, Ni and Cu

Senying LIU , Rongze HU , Dongliang ZHAO and Chongyu WANG(Central Iron and Steel Research Institute , Beijing , 100081 , China)(To whom correspondence should be addressed)Ping LUO(National Research Cent or Certified Materials , Beijing , 100013 , China)Zhongjie P

材料科学技术（英文）

By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of ...

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Bonding and Fracture Characteristics at α2/γ Interface in TiAl Alloy with B Addition

Senying LIU , Dongliang ZHAO , Rongze HU , Chongyu WANG , Ping LUO

材料科学技术（英文）

The bonding characteristics of (0001)α2‖(111)γ interface in two-phase TiAl alloy have been investigated with the recursion method. The results of bond order integral and interaction energy between atoms are presented. The effects of B on atoms bonding both in constituent phase and at the α2/γ inter...

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