Predicting alloy compositions of bulk metallic glasses with high glass-forming ability
Predicting alloy compositions of bulk metallic glasses with high glass-forming ability
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DOI：
10.1016/j.msea.2007.07.066
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发表时间：
2008-06
期刊：
影响因子：
6.4
通讯作者：
X. Ji;Ye Pan
中科院分区：
文献类型：
--
作者：
X. Ji;Ye Pan
根据二元合金中的空位形成能(ΔHH)，提出了一种计算多元合金的简便方法。计算得到的ΔHh值与Ca-Mg-Cu、Mg-Cu-Gd、Zr-Ni-Al和Cu-Zr-Ti系的晶化温度(Tx)呈线性相关。根据吉布斯自由能(ΔG)与液相线温度(TL)和玻璃形成能力(GFA)指标α(=Tx/TL)的关系，定义了一种包含ΔHH、混合熵(ΔHMix)和构型热(SCONFIG)的新的玻璃形成能力估算表达式ΔHHΔHMixSCong。用该公式预测的La-Al-Co、Zr-Cu-Be、Ca-Mg-Zn和Cu-Zr-Ti四个合金系的成分谱线均与已报道的BMG非常接近。此外，在La-Ce-Al-Co四元合金化体系中，ΔHHΔHMixS配置值与临界直径有很强的相关性。最后在Cu-Zr-Al系中制备了三种富铜成分的BMG，其实验结果与ΔHHΔHMixS配置值基本一致。
According to the vacancy formation energy (ΔHh) in binary alloys, an easy approach for the computation of multi-component alloys is suggested. And the calculated ΔHhvalues have linear correlation with the crystallization temperature (Tx) in Ca–Mg–Cu, Mg–Cu–Gd, Zr–Ni–Al and Cu–Zr–Ti alloying systems. Based on the relationship between Gibbs free energy (ΔG) and the liquidus temperature (Tl) and the glass-forming ability (GFA) indicator α (=Tx/Tl), a new expression containing ΔHh, mixing entropy (ΔHmix) and configurational enthalpy (Sconfig) for estimation of GFA is defined as ΔHhΔHmixSconfig. The predicted composition lines derived with this expression are all very near the reported BMGs in La–Al–Co, Zr–Cu–Be, Ca–Mg–Zn and Cu–Zr–Ti alloying systems, respectively. Moreover, values of ΔHhΔHmixSconfigis found to have a strong correlation with the critical diameters in La–Ce–Al–Co quarternary alloying system. Finally, three BMGs with Cu-rich compositions in Cu–Zr–Al alloying system are prepared and the experimental result about GFA is consistent with the computational ΔHhΔHmixSconfigvalues.