A thermodynamic description of the Al-Fe-Si system over the whole composition and temperature ranges via a hybrid approach of CALPHAD and key experiments

被引：179

作者：

Du, Yong ^{[1
]}

Schuster, Julius Clemens ^{[2
]}

Liu, Zi-Kui ^{[3
]}

Hu, Rongxiang ^{[4
]}

Nash, Philip ^{[4
]}

Sun, Weihua ^{[1
]}

Zhang, Weiwei ^{[1
]}

Wang, Jiong ^{[1
]}

Zhang, Lijun ^{[1
]}

Tang, Chengying ^{[1
]}

Zhu, Zhijun ^{[1
]}

Liu, Shuhong ^{[1
]}

Ouyang, Yifang ^{[5
]}

Zhang, Wenqing ^{[6
]}

Krendelsberger, Nataliya ^{[7
]}

机构：

[1] Cent S Univ, Innovat Mat Design Grp, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China

[2] Univ Vienna, Inst Phys Chem, Innovat Mat Grp, A-1090 Vienna, Austria

[3] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA

[4] IIT, Thermal Proc Technol Ctr, Chicago, IL 60616 USA

[5] Guangxi Univ, Dept Phys, Nanning 530004, Peoples R China

[6] Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China

[7] Echem Ctr Competence Appl Electrochem, A-2700 Wiener Neustadt, Austria

来源：

INTERMETALLICS | 2008年 / 16卷 / 04期

基金：

中国国家自然科学基金;

关键词：

ternary alloy systems; thermodynamic and thermochemical properties; phase diagram; prediction; diffraction; calorimetry;

D O I：

10.1016/j.intermet.2008.01.003

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A consistent thermodynamic data set for the Al-Fe-Si system over the entire composition and temperature ranges is obtained by using CALPHAD approach applied to predominant literature data, supplemented with the present experimental data resulting from Xray diffraction, differential thermal analysis, electron probe microanalysis, and enthalpy measurements of decisive alloys. Numerous comparisons between the calculated and measured phase diagrams as well as thermodynamic quantities indicate that almost all of the reliable experimental information is satisfactorily accounted for by the present thermodynamic modeling. The inconsistency between the measured and computed enthalpies of formation via CALPHAD method for the ternary compounds is traced to the Fe-Si system in which there is a disagreement between the experimental enthalpy of formation and CALPHAD type one. The reliability of calculated thermodynamic properties for ternary phases is verified through enthalpy measurement employing drop calorimetry. A hybrid approach of CALPHAD method and key experiment to acquire a thermodynamic description of a complex ternary system is recommended. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：554 / 570

页数：17

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