Experimental study and thermodynamic modeling of the Al-Sc-Zr system

Experimental study and thermodynamic modeling of the Al-Sc-Zr system
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Al-Sc-Zr体系的实验研究和热力学模拟

DOI:
10.1016/j.commatsci.2017.02.029
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发表时间:
2017-06
影响因子:
3.3
通讯作者:
Jin Z. P.
Jin Z. P.
中科院分区:
材料科学3区
文献类型:
--
作者:
Bo H.;Liu L. B.;Hu J. L.;Jin Z. P.

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Al-Sc-Zr三元系是耐热铝合金家族中的一个典型体系,通过实验和理论计算对其进行了热力学研究。利用扫描电子显微镜/能量色散X-射线能谱和X-射线衍射仪,测定了平衡合金在873K的等温截面。新发现了两个稳定的三元化合物Al75Sc16Zr9和Al75Sc10Zr15。用差示扫描量热法测定了所选样品的相变温度。此外,还观察了各合金的铸态组织,以确定凝固过程中的初晶相。在上述实验资料的基础上,结合第一性原理计算和CALPHAD方法,对Al-Sc-Zr系进行了热力学优化,首次优化了Sc-Zr系的组成。利用所获得的热力学参数,计算了等温截面、垂直截面和液相线投影,并与已有的实验数据进行了比较,其中大部分都能得到令人满意的解释。
As a typical system in the family of heat-resistant aluminum alloys, the Al-Sc-Zr ternary system was thermodynamically studied by experimentation and theoretical calculation. Employing the scanning electron microscopy/energy dispersive X-ray spectroscopy and X-ray diffraction, the isothermal section at 873 K was determined with equilibrated alloys. Two stable ternary compounds Al75Sc16Zr9and Al75Sc10Zr15were newly discovered. By means of the differential scanning calorimetry, phase transformation temperatures of selected samples were obtained. In addition, the as-cast microstructure of individual alloys was observed to identify the primary crystallization phase during solidification. Based on the experimental information mentioned above, the Al-Sc-Zr system was thermodynamically optimized combining the first-principles calculation and the CALPHAD method, with the constituent binary system Sc-Zr optimized for the first time. Using the thermodynamic parameters obtained in this work, the isothermal section, vertical section and liquidus projection were all calculated and then compared with available experimental data, most of which could be accounted for satisfactorily.
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