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
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
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DOI：
10.1016/j.intermet.2008.01.003
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发表时间：
2008-04-01
期刊：
影响因子：
4.4
通讯作者：
Krendelsberger, Nataliya
中科院分区：
文献类型：
--
作者：
Du, Yong;Schuster, Julius Clemens;Krendelsberger, Nataliya
用CALPHAD方法计算了Al-Fe-Si系在整个成分和温度范围内的热力学数据，并辅以X射线衍射、差热分析、电子探针显微分析和决定合金的热分析等实验数据，得到了Al-Fe-Si系在整个成分和温度范围内的热力学数据。大量计算相图和测量相图以及热力学参数的比较表明，几乎所有可靠的实验信息都能令人满意地被本热力学模型所解释。用CALPHAD方法测得的三元化合物的生成热与用CALPHAD方法计算的生成焓不一致的原因是Fe-Si系的实验生成热与CALPHAD类型的生成焓不一致。通过滴量热法测量热力学性质，验证了三元相热力学性质计算的可靠性。提出了用CALPHAD方法和关键实验相结合的方法来获得复杂三元体系的热力学描述。(C)2008爱思唯尔有限公司。保留所有权利。
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.