典型文献
Changes of alloying elements on elasticity and solid solution strengthening of α-Ti alloys:a comprehensive high-throughput first-principles calculations
文献摘要：
Herein,the effects of 33 alloying elements on the elastic properties and solid solution strengthening(SSS)of α-Ti alloys were systematically studied via first-princi-ples calculations based on a dilute solid solution.All alloying elements in these calculations were thermody-namically favorable,which indicated that these elements could be dissolved in α-Ti alloys.Ti35Os had the highest elastic modulus as compared to those of other dilute Ti-based solid solutions.Au,Co,and Pt were found to be promising candidates for improving the ductilities of α-Ti solid solution alloys.Solid solution strengthening was analyzed using Cottrell's and Labush's models.Based on the solid solubility,Ir,Rh,Ni,and Pt were found to possess the best solid solution hardening effects in the following order:Ir＞Rh＞Ni＞Pt.The bonding state between Ti and the impurity atom was visually characterized owing to the difference between their charge densities.By integrat-ing the calculations of mean bond length and mean popu-lation,the results showed that Ti-Os had the largest mean population and degree of delocalization of the electron cloud around the solute atom,implying ionic characteristics of Os and Ti.Furthermore,after analyzing the alloying elements of each group,we found that Ⅷ-group elements(Ru,Rh,Pd,Os,Ir,Pt)had good potentials for improving the comprehensive mechanical properties of Ti alloys.
文献关键词：
中图分类号：
作者姓名：
Tao Liu;Xiao-Yu Chong;Wei Yu;Yun-Xuan Zhou;Hai-Guang Huang;Rong-Feng Zhou;Jing Feng
作者机构：
Faculty of Material Science and Engineering,Kunming University of Science and Technology,Kunming 650093,China;Yunnan Titanium Industry Co.Ltd,Chuxiong 675000,China;City College,Kunming University of Science and Technology,Kunming 650051,China
文献出处：
引用格式：
[1]Tao Liu;Xiao-Yu Chong;Wei Yu;Yun-Xuan Zhou;Hai-Guang Huang;Rong-Feng Zhou;Jing Feng-.Changes of alloying elements on elasticity and solid solution strengthening of α-Ti alloys:a comprehensive high-throughput first-principles calculations)[J].稀有金属（英文版）,2022(08):2719-2731
A类：
Ti35Os,ductilities,Labush
B类：
Changes,alloying,elements,elasticity,solid,strengthening,alloys,comprehensive,throughput,first,principles,calculations,Herein,effects,properties,SSS,were,systematically,studied,via,dilute,All,these,thermody,namically,favorable,which,indicated,that,could,dissolved,had,highest,modulus,compared,those,other,solutions,Au,Pt,found,promising,candidates,improving,Solid,was,analyzed,using,Cottrell,models,Based,solubility,Ir,Rh,possess,best,hardening,following,order,bonding,state,between,impurity,atom,visually,characterized,difference,their,charge,densities,By,integrat,mean,length,results,showed,largest,population,degree,delocalization,electron,cloud,around,solute,implying,ionic,characteristics,Furthermore,after,analyzing,each,group,Ru,Pd,good,potentials,mechanical
AB值：
0.468042
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