论文标题
具有不同原子对称性的二元合金中的玻璃形成
Glass formation in binary alloys with different atomic symmetries
论文作者
论文摘要
合金的玻璃形成能力（GFA）的预测仍然是一个主要挑战。我们无法预测甚至二元合金的GFA的组成依赖性。为了研究每个元素倾向在玻璃形成上形成特定晶体结构的倾向，我们专注于使用斑块粒子模型的二进制合金组成的二进制合金。对于具有促进不同晶体结构的原子对称性的混合物，最低临界冷却速率$ r_c $仅比纯物质低5 $ $ 5 $。对于促进局部晶体和二十面体秩序的不同原子对称性的混合物，最低$ r_c $的混合物比纯物质低的$ r_c $大于$ 3 $的数量级。 $ r_c $的斑块粒子模型的结果与NICU，TIAL和高熵合金的嵌入式原子方法模拟和溅射实验的结果一致。
Prediction of the glass forming ability (GFA) of alloys remains a major challenge. We are not able to predict the composition dependence of the GFA of even binary alloys. To investigate the effect of each element's propensity to form particular crystal structures on glass formation, we focus on binary alloys composed of elements with the same size, but different atomic symmetries using the patchy-particle model. For mixtures with atomic symmetries that promote different crystal structures, the minimum critical cooling rate $R_c$ is only a factor of $5$ lower than that for the pure substances. For mixtures with different atomic symmetries that promote local crystalline and icosahedral order, the minimum $R_c$ is more than $3$ orders of magnitude lower than that for pure substances. Results for $R_c$ for the patchy-particle model are in agreement with those from embedded atom method simulations and sputtering experiments of NiCu, TiAl, and high entropy alloys.
