Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculati

来源 :材料科学技术(英文版) | 被引量 : 0次 | 上传用户:wapp592
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
The variation of stacking fault energy (SFE) in a number of binary Cu alloys is predicted through consid-ering the Suzuki segregation by the full potential linearly augmented plane wave (FPLAPW) method.The calculated results show that some solute atoms (Mg,Ai,Si,Zn,Ga,Ge,Cd,Sn,and Pb),which prefer to form the Suzuki segregation,may decrease the value of SFE;while the others (Ti,Mn,Fe,Ni,Zr,Ag,and Au),which do not cause the Suzuki segregation may not decrease the SFE.Furthermore,it is interesting to find that the former alloying elements are located on the right of Cu group while the latter on the left of Cu group in the periodic table of elements.The intrinsic reasons for the new findings can be traced down to the valences electronic structure of solute and Cu atoms,i.e.,the similarity of valence electronic structure between solute and Cu atoms increases the value of SFE,while the difference decreases the value of SFE.
其他文献
An interesting phenomenon of dual S-N fatigue behavior is investigated in a metastable β titanium alloy,Ti-7Mo-3Nb-3Cr-3Al notched cylindrical specimens with a
The martensite transformation of Co-29Cr-6Mo-xCu (Co-xCu,x =0,1.5,2,4,wt%) alloys was investi-gated in order to explore ductile Co-based alloy without Ni for bio
The occurrence and development mechanism of internal local corrosion has always been a controver-sial topic,and especially under flow conditions.In this paper,a
The fatigue properties of titanium alloy short-stems with four different lengths,manufactured by electron beam melting (EBM) technology,were investigated by in
Nanolaminates are composed of nanoscale-thick alternating layers of different materials and their properties are dependent on the individual layers,the layer th
Microstructural modifications and appropriate element doping are necessary to simultaneously enhance the electrical conductivities and reduce the lattice therma
The Mg90Ce5RE5 (RE =La,Ce,Nd) alloys were prepared by a vacuum induction furnace and their microstructure,phase transformation,thermodynamics and kinetics prope
The metallic phase of molybdenum disulfide (M-MoS2) and semiconductor phase of molybdenum disulfide (S-MoS2) was synthesized by hydrothermal method,using cetylt
We report an experimental investigation on laser ablation and associated surface structuring of CdZnTe by femtosecond Ti:Sa laser pulses (laser wavelength λ≈8
A 0.66 mm-diameter AZ31 alloy wire with ultimate tensile strength of 400 MPa and elongation of 28.5%was successfully prepared via the combination of cold-drawing