三元非晶合金混合焓和失配熵的计算:大块非晶、纳米晶和纳米准晶合金专刊

A. Takeuchi, A. Inoue
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引用次数: 631

摘要

利用热力学函数计算了351种三元非晶体系中6450种合金总数的化学混合焓(ΔH chem)和由玻尔兹曼常数归一化的失配熵(S σ /k B)对应的实现高非晶成形能力(AFA)的三个经验规律。三元非晶合金的ΔH化学性质为-86 ~ 25 kJ/mol, S σ /k B为1.0 × 10 ~ 3 ~ 5.7。计算得到ΔH chem和S σ /k B的平均值分别为-33 kJ/mol和0.33 kJ/mol。9种三元非晶体系中的30种合金,其中Ag-Cu-Fe体系中的10种合金的ΔH化学值均为正值。在ΔH chem - log(S σ /k B)图中,除含氢和含碳合金外,大多数三元非晶合金的值均在ΔH chem和S σ /k B的梯形区域内。Si-W-Zr体系和32种具有ΔH阳性化学值的合金。对典型的五种三元非晶体系进行了AFA分析。得到以下四个结果。1)根据三个经验规律的概念,Al-La-Ni和B-Fe-Zr合金具有较高的AFA。2) Al-B-Fe合金中合金成分的进一步增加导致其AFA增大。3)以熔化温度和熔化温度下粘度为代表的热力学因素是评价镁、钯基非晶合金AFA的必要条件。4)在各合金体系中,log(S σ /k B)随ΔH chem的减小而增大,表明非晶相相对于固溶体和中间相具有稳定化的趋势。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Calculations of mixing enthalpy and mismatch entropy for ternary amorphous alloys : Special issue on bulk amorphous, nano-crystalline and nano-quasicrystalline alloys
Chemical mixing enthalpy (ΔH chem ) and mismatch entropy normalized by Boltzmann constant (S σ /k B ) corresponding to the three empirical rules for the achievement of high amorphous-forming ability (AFA) were calculated with thermodynamical functions for the gross number of 6450 alloys in 351 ternary amorphous systems. The temary amorphous alloys have ΔH chem of -86 to 25 kJ/mol and S σ /k B of 1.0 × 10 -3 to 5.7. The average values of ΔH chem and S σ /k B are calculated to be -33 kJ/mol and 0.33, respectively. The 30 alloys in 9 ternary amorphous systems including 10 alloys in Ag-Cu-Fe system have positive values of ΔH chem . Most of the ternary amorphous alloys have the values of ΔH chem and S σ /k B inside a trapezoid regicn in ΔH chem - log(S σ /k B ) chart except mainly for the H- and the C-containing alloys. Si-W-Zr system and the 32 alloys having positive values of ΔH chem . The analysis of AFA was carried out for typical five ternary amorphous systems. The following four results are derived. 1) Al-La-Ni and B-Fe-Zr alloys have high AFA in accordance with the concept of the three empirical rules. 2) The further multiplication of alloy components causes an increase in the AFA of Al-B-Fe alloys. 3) Thermodynamical factors represented by melting temperature and viscosity at the melting temperature are required for evaluation of AFA for Mg- and Pd-based amorphous alloys. 4) A tendency for log(S σ /k B ) to increase with decreasing ΔH chem is recognized in each alloys system, implying the stabilization of an amorphous phase against solid solution and intermediate phase.
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