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Thermodynamic and relative approach to compute glass-forming ability of oxides

机译:计算氧化物玻璃形成能力的热力学和相对方法

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This study deals with the evaluation of glass-forming ability (GFA) of oxides and is a critical reading of Sun and Rawson thermodynamic approach to quantify this aptitude. Both approaches are adequate but ambiguous regarding the behaviour of some oxides (tendency to amorphization or crystallization). Indeed, ZrO_2 and Al_2O_3 were inappropriately listed by Sun and Rawson to be glassformer oxides while being intermediate ones. We present a non-dimensional approach to value GFA of single oxide by affecting to each one of the coefficients (without measuring units). Obeying to the non-dimensional analysis rules, we introduce a neglected (in all prior thermodynamic models) characteristic: the isobaric heat capacity (C_p) of oxides, and execute a mathematical treatment of oxides thermodynamic data. We note this coefficient as thermodynamical relative glass-forming ability (ThRGFA) and formulate a model to compute it. Computed values of 2nd, 3rd, 4th and 5th period metal oxides reveal a clear differentiation between them. Indeed, all glass former oxides are characterized by ThRGFA values over 1.709. Moreover, the value intervals confirm the oxides classification into three groups (forming, intermediate and modifier) and sorting of the former ones in distinctive strong and fragile oxides.
机译:这项研究涉及对氧化物的玻璃形成能力(GFA)的评估,是对Sun和Rawson热力学方法进行定量分析的关键读物。两种方法在某些氧化物的行为(非晶化或结晶倾向)方面都是适当的,但模棱两可。实际上,ZrO_2和Al_2O_3被Sun和Rawson不适当地列为玻璃状氧化物,而为中间氧化物。我们通过影响每个系数(无测量单位),提出了一种无量纲的方法来估算单个氧化物的GFA。遵循无量纲分析规则,我们引入了一个被忽略的特性(在所有现有的热力学模型中):氧化物的等压热容(C_p),并对氧化物的热力学数据进行数学处理。我们将该系数记为热力学相对玻璃形成能力(ThRGFA),并制定了计算模型。第二,第三,第四和第五周期金属氧化物的计算值揭示了它们之间的明显区别。实际上,所有玻璃前氧化物的特征是ThRGFA值超过1.709。此外,值区间确认了氧化物分为三类(形成,中间和改性剂)以及前者在明显的强而脆的氧化物中的分类。

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