Calculation of thermodynamic parameters of Mg-Al-Y alloy

Calculation of thermodynamic parameters of Mg-Al-Y alloy
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Mg-Al-Y合金热力学参数的计算

DOI:
10.1007/s11595-014-0924-5
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发表时间:
2014-04
影响因子:
1.6
通讯作者:
Yan Hong
Yan Hong
中科院分区:
材料科学4区
文献类型:
--
作者:
Huang Wenxian;Yan Hong

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采用Miedeam模型和Toop模型,用计算机编程计算了Mg-Al-Y三元合金各组分的过剩自由能、生成焓、过剩熵和活度。实验结果表明,三元合金的生成热、超额自由能和超额熵在整个含量范围内均为负值,在Al=55%、XY=45%、XMG=0%时均有极小值,分别为−37.969、−30.961和−6.24J/(mol.k)。活度曲线表明,随着摩尔分数的降低,三元合金中Al和Y的活度值迅速下降,当摩尔分数降到0.4时,活度值很小。这表明,在Mg-Al-Y三元合金体系中,Al和Y之间存在较强的相互作用,可以形成稳定的化合物。
By means of Miedema formation enthalpy model with Toop model, the excess free-energy, enthalpies of formation, excess entropies and activity values of all components of Mg-Al-Y ternary alloy were calculated with computer programming. The experimental results show that enthalpies of formation, excess free-energy and excess entropies of the ternary alloy are negative in the whole content range, the minimum values at 1 123 K are all obtained atxAl=55%,xY=45%,xMg=0%, which are −37.969, −30.961 kJ/mol and −6.24 J/(mol·k) respectively. Activity curves show that the activity values of Al and Y in Mg-Al-Y ternary alloy rapidly decrease with the decrease of molar fraction, the values of which are very small when the molar fraction decreases to 0.4. It means that there is a strong interaction between Al and Y and stable compounds can be form in the Mg-Al-Y ternary alloy system.
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