Patchy胶体粒子的结晶、玻璃化和凝胶化问题

本文探讨了中性多缔合位点Patchy胶体粒子系统的相图及其相关问题. 在研究中，计入了分子间的硬芯Lennard-Jones势和缔合作用，进而阐明了系统的流体相(F)，无规密积相(RCP)和面心立方相(FCC)之间转变的相态结构. 在体系丰富的相结构中，F-F，F-RCP及F-FCC相转变以及描述粒子间联结性的溶胶-凝胶转变相互影响，致使一些相态在不同相互作用强度时可以呈现亚稳态和稳态. 同时，本文重点阐述了缔合能量以及patch数目对体系的临界温度、临界密度、临界三相点以及溶胶-凝胶转变等的调控机制.

Crystallization, Vitrification, and Gelation of Patchy Colloidal Particles

We present the phase diagrams for neutral patchy colloidal particles whose surface is decorated by different number of identical patches, where each patch serves as an associating site. The hard-core Lennard-Jones (LJ) potential and associating interaction are incorpo-rated into the free energies of patchy particles in phases of the fluid (F), random close packing (RCP), and face-centered-cubic (FCC) crystal. A rich phase structure of patchy particles with F-F, F-RCP, and F-FCC transitions can be observed. Meanwhile, the sol-gel transition (SGT) characterizing the connectivity of patchy particles is also investigated. It is shown that, depending on the number of patches and associating energy, the F-F transition might be metastable or stable with respect to the F-RCP and F-FCC transitions. Meanwhile, the critical temperatures, critical densities, triple points, and SGT can be significantly regulated by these factors.