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Diffusive redistribution of small spheres in crystallization of highly asymmetric binary hard-sphere mixtures

机译:小球在高度不对称二元硬球混合物结晶中的扩散性重新分布

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We report a molecular-dynamics study of crystallization in highly size-asymmetric binary hard-sphere mixtures, in which the large spheres can form a crystal phase while the small ones remain disordered during the crystallization process of the large spheres. By taking advantage of assisting crystal nucleation with a patterned substrate, we find that adding a second, much smaller component will not alter the crystal structure formed by the large spheres. Instead of having fully random distributions, the small spheres are found to diffusively redistribute during the crystal formation of the large spheres and their density profile exhibits a strong coupling with that of the large spheres. We discuss the corresponding changes of the density profile for the small spheres at different crystallization stages.
机译:我们报告了在高度不对称的二元硬球混合物中结晶的分子动力学研究,其中大球可以形成晶相,而小球在大球的结晶过程中仍然无序。通过利用带图案的基板辅助晶体成核的优势,我们发现添加第二个小得多的成分不会改变由大球体形成的晶体结构。发现小球不是完全随机地分布,而是在大球的晶体形成过程中扩散地重新分布,并且它们的密度分布与大球的密度分布显示出强耦合。我们讨论了不同结晶阶段小球体密度分布的相应变化。

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