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Efficient local packing in metallic glasses

机译:高效的金属玻璃本地包装

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A simple topological model in an earlier manuscript has provided additional support for the concept that efficient atomic packing is a fundamental principle in the formation of metallic glasses. In that work, an approach for defining and quantifying the local packing efficiency, P, was developed for solute-centered clusters that contained only solvent atoms in the first coordination shell. In the present work, this methodology is extended to allow quantification of P when more than one atomic species is present in the first coordination shell. This analysis is applied to several metallic glasses using published experimental data of partial coordination numbers. It is shown that packing in the first coordination shell is generally very efficient, even though the systems studied have significant differences in atomic species, compositions and relative atomic sizes. It is shown that packing is generally efficient around both solute and solvent atom species. Local packing efficiencies much less than unity are expected to be uncommon, since the global average packing efficiency is near unity and local packing efficiencies greater than unity are physically improbable. Deviations from efficiently packed configurations are discussed with respect to the local packing efficiencies in competing crystalline structures and with poorer glass forming ability. The values of P obtained for metallic glasses are essentially identical to the values obtained from a similar analysis of the competing crystalline structures. These results are consistent with frequent earlier reports of topological short range ordering in metallic glasses and with developments that have established the relationship between dense atomic packing and glass formation. (C) 2004 Elsevier B.V. All rights reserved.
机译:早期手稿中的简单拓扑模型为有效的原子堆积是金属玻璃形成的基本原理这一概念提供了额外的支持。在这项工作中,针对在第一配位壳中仅包含溶剂原子的溶质中心团簇,开发了一种定义和量化局部堆积效率P的方法。在本工作中,扩展了该方法,以允许在第一配位壳中存在多个原子种类时对P进行定量。使用已发布的部分配位数的实验数据,将该分析应用于几种金属玻璃。结果表明,即使所研究的系统在原子种类,组成和相对原子尺寸上存在显着差异,在第一配位壳中的填充通常也非常有效。结果表明,对于溶质和溶剂原子种类,填充通常是有效的。由于全球平均包装效率接近统一,并且物理上不可能大于本地包装效率,因此本地包装效率远低于统一包装的情况并不常见。关于竞争性晶体结构中具有较差的玻璃形成能力的局部堆积效率,讨论了与有效堆积构造的偏差。金属玻璃获得的P值与竞争晶体结构的类似分析获得的值基本相同。这些结果与金属玻璃中拓扑短程有序的早期报道以及建立在致密原子堆积和玻璃形成之间的关系的发展相一致。 (C)2004 Elsevier B.V.保留所有权利。

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