Key Laboratory for Materials Modification by Laser, Ion and Electron Beam (Dalian University of Technology), Ministry of Education, Dalian, 116024, China.
Department of Physics, Dalian University, Dalian, 116622, China.
Sci Rep. 2017 Aug 22;7(1):9150. doi: 10.1038/s41598-017-09100-9.
It is known that bulk metallic glasses follow simple composition formulas [cluster](glue atom) with 24 valence electrons within the framework of the cluster-plus-glue-atom model. Though the relevant nearest-neighbor cluster can be readily identified from a devitrification phase, the glue atoms remains poorly defined. The present work is devoted to understanding the composition rule of Fe-(B,P,C) based multi-component bulk metallic glasses, by introducing a cluster-based eutectic liquid model. This model regards a eutectic liquid to be composed of two stable liquids formulated respectively by cluster formulas for ideal metallic glasses from the two eutectic phases. The dual cluster formulas are first established for binary Fe-(B,C,P) eutectics: [Fe-Fe]BFe + [B-BFe]Fe ≈ FeB for eutectic FeB, [P-Fe]P + [P-Fe]PFe≈FeP for FeP, and [C-Fe]Fe + [C-Fe]CFe ≈ FeC for FeC. The second formulas in these dual-cluster formulas, being respectively relevant to devitrification phases FeB, FeP, and FeC, well explain the compositions of existing Fe-based transition metals-metalloid bulk metallic glasses. These formulas also satisfy the 24-electron rule. The proposition of the composition formulas for good glass formers, directly from known eutectic points, constitutes a new route towards understanding and eventual designing metallic glasses of high glass forming abilities.
已知块状金属玻璃遵循简单的组成公式团簇,在团簇加胶原子模型的框架内,具有 24 个价电子。尽管相关的最近邻团簇可以从非晶相容易地识别出来,但胶原子的定义仍然很差。本工作通过引入基于团簇的共晶液体模型,致力于理解基于 Fe-(B、P、C)的多组分块状金属玻璃的组成规律。该模型将共晶液体视为由两个稳定液体组成,分别由两个共晶相的理想金属玻璃的团簇公式组成。二元 Fe-(B、C、P)共晶的双团簇公式首先建立:共晶 FeB 中的[Fe-Fe]BFe + [B-BFe]Fe ≈ FeB,共晶 FeP 中的[P-Fe]P + [P-Fe]PFe ≈ FeP,共晶 FeC 中的[C-Fe]Fe + [C-Fe]CFe ≈ FeC。这些双团簇公式中的第二个公式,分别与非晶相 FeB、FeP 和 FeC 相关,很好地解释了现有基于 Fe 的过渡金属-半导体块状金属玻璃的组成。这些公式也满足 24 电子规则。从已知共晶点直接提出良好玻璃形成体的组成公式,构成了理解和最终设计具有高玻璃形成能力的金属玻璃的新途径。