The thermodynamics and the glass forming ability of the Al-Ce-Ni system：Experiments,Calphad approach and First-Principles Calculation
(0) The ternary Al-Ce-Ni metallic glass-forming system in its Al-rich(〉60at．％)corner is investigated by experiments,thermodynamic modeling and First-Principle calculation．A consistent thermodynamic data set for the Al-Ce-Ni system is obtained by the optimization of the experimental data．The calculated isothermal sections,vertical sections and invariant reactions agree well with the experimental results．Using the results from thermodynamic assessment,the relationship between the glass forming ability(GFA)and phase diagram of the AI-Ce-Ni system is investigated．It was revealed that the alloys with good GFA in the AI-Ce-Ni system are in off-eutectic，indicating no deep eutecties in the AI-Ce-Ni system．It was found that the heats ofmixing of the alloys with good GFA are from-15 to-49 kJ/mol of atom．The alloy with euteetie composition has poor GFA due to the larger heats ofmixing．The results from melt-spinning experimental and the calculation of driving force of crystalline phases in supercooled liquid state indicated that the alloys with minimum driving force have good glass forming ability．It is thus concluded that the negative heats of mixing and minimum driving forces are the criterions for selecting the composition for formation ofthe Al-Ce-Ni metallic glass．
热力学模型 第一原理计算 相图计算 三元合金
Chengying Tang Yong Du J.Wang H.Y.Zhou L.J.Zhang Q.R.Yao Joonho Lee
State Key Laboratory of Powder Metallurgy,Central South University,Changsha,Hunan 410083;China State State Key Laboratory of Powder Metallurgy,Central South University,Changsha,Hunan 410083,China Department of Materials Science and Engineering,Korea University,5-1 Anam-dong,Seongbuk-gu,Seoul,136 State Key Laboratory of Powder Metallurgy,CentralSouth University,Changsha,Hunan 410083,China
国内会议
长沙
英文
134-142
2008-11-01（万方平台首次上网日期，不代表论文的发表时间）