Abstract Using molecular dynamics simulations, we study the crystallization process in Ag 6 Cu 4 and CuAu alloys. By changing the amount of supercooling, we are able to identify the role played by icosahedral order in the crystal growth kinetics. Specifically, the Ag 6 Cu 4 alloy exhibits a slowing down of the growth rate when temperature decreases, as a result of the greater amount of icosahedral order in the liquid. On the other hand, there is much less icosahedral order in the CuAu alloy and, as a result, this system displays the expected behavior of increased growth rates for greater supercooling. Furthermore, by varying the metal used as a substrate for the crystal growth process, we are able to show the major role played by the size mismatch between the atoms of the substrate and the alloy during the polymorph selection process.

中文翻译：

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双金属系统晶体生长过程中晶体和二十面体有序之间的竞争。

摘要 利用分子动力学模拟，我们研究了 Ag 6 Cu 4 和 CuAu 合金的结晶过程。通过改变过冷量，我们能够确定二十面体顺序在晶体生长动力学中所起的作用。具体而言，Ag 6 Cu 4 合金在温度降低时表现出生长速率减慢，这是由于液体中更大量的二十面体有序。另一方面，CuAu 合金中的二十面体顺序要少得多，因此，该系统显示出预期的行为，即增加生长速率以获得更大的过冷度。此外，通过改变用作晶体生长过程衬底的金属，我们能够显示在多晶型选择过程中衬底原子与合金之间的尺寸不匹配所起的主要作用。