Karayiannis Nikos Ch, Malshe Rohit, de Pablo Juan J, Laso Manuel
Institute of Optoelectronics and Microsystems (ISOM) and ETSII, Universidad Politecnica de Madrid (UPM), Madrid, Spain.
Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Jun;83(6 Pt 1):061505. doi: 10.1103/PhysRevE.83.061505. Epub 2011 Jun 16.
Through molecular simulations we investigate the dynamics of crystallization of hard spheres of uniform size from dense amorphous states and the role that hidden structures in an otherwise disordered medium might have on it. It is shown that short-range order in the form of sites with fivefold symmetry acts as a powerful inhibitor to crystal growth. Fivefold sites not only retard crystallization, but can self-assemble into organized structures that arrest crystallization at high densities or lead to the formation of defects in a crystal. The latter effect can be understood in terms of a random polyhedral model.
通过分子模拟,我们研究了均匀尺寸的硬球从致密非晶态结晶的动力学,以及在其他方面无序的介质中隐藏结构可能对其产生的作用。结果表明,具有五重对称性的位点形式的短程有序作为晶体生长的有力抑制剂。五重位点不仅阻碍结晶,而且可以自组装成有组织的结构,在高密度下阻止结晶或导致晶体中形成缺陷。后一种效应可以用随机多面体模型来理解。