,Site preferences of alloying transition metal elements in Ni-based superalloy:A first-principles st

来源 :中国物理B(英文版) | 被引量 : 0次 | 上传用户:tsg40
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
Atomistic characterization of chemical element distribution is crucial to understanding the role of alloying elements for strengthening mechanism of superalloy.In the present work,the site preferences of two alloying elements X-Y in γ-Ni of Ni-based superalloy are systematically studied using first-principles calculations with and without spin-polarization.The doping elements X and Y are chosen from the 27 kinds of 3d,4d,5d group transition metals(Sc,Ti,V,Cr,Mn,Fe,Co,Cu,Zn,Y,Zr,Nb,Mo,Tc,Ru,Rh,Pd,Ag,Cd,Hf,Ta,W,Re,Os,Ir,Pt,Au)and Al.We find that the spin-polarized calculations for Re-Re,Re-Ru,Re-Cr,Ru-Cr show a strong chemical binding affinity between the solute elements and are more consistent with the experimental results.The binding energies of pairs between the 28 elements have an obvious periodicity and are closely related the electronic configuration of the elements.When the d-electrons of the element are close to the half full-shell state,two alloying elements possess attractive binding energies,reflecting the effect of the Hunds rule.The combinations of early transition metals(Sc,Ti,V,Y,Zr,Nb,Hf,Ta)have a repulsive interaction in γ-Ni.These results offer insights into the role of alloying elements for strengthening mechanism of superalloy.
其他文献
This report presents a first-principles investigation of the structural, electronic, and optical properties of perovskite oxynitrides BaTaO_2 N by means of dens
全国抗虫棉试种示范现场会会议纪要1995年7月12~13日,中国农业科学院主持的“全国抗虫棉试种示范现场会”先后在山东省平原县寇坊乡、安丘市召开。出席这次现场会的代表有农业部、国家科
We synthesize a series of Mn substituted (Li, Fe)OHFeSe superconductor single crystals via a modified ion-exchange method, with the Mn concentration z (the atom
In the present work,the generalized Kemmer oscillator was introduced in one dimension.It is shown that the exact solutions of generalized Kemmer oscillator with
从2003年3月至2003年11月连续对田间条件下,以毛桃(Amygdalus persica Lindl.)为砧木的2年生海湾红宝石李(Prunus salicina Lindl.cv.Gulf ruby)、紫李(Prunus domestica Lindl.cv.Pur
2019年4月18日,由中国艺术研究院艺术与人文高等研究院和北京曹雪芹学会联合主办的讲座“曹雪芹《废艺斋集稿》的重探与证真”在中国艺术研究院第五会议室举行. 主讲人台湾中
期刊
The third harmonic generation (THG) of a linear cavity Ti:sapphire regenerative amplifier by use of a K3B6O10Cl (KBOC) crystal is studied for the first time.Out
The influence of characteristics’ measurement sequence on total ionizing dose effect in partially-depleted SOI nMOS-FET is comprehensively studied. We find tha