首页> 外文学位 >Hydrophobicity, elasticity, and glassiness: The simulation of complex cooperative processes.
【24h】

Hydrophobicity, elasticity, and glassiness: The simulation of complex cooperative processes.

机译:疏水性,弹性和玻璃化度:复杂协作过程的模拟。

获取原文
获取原文并翻译 | 示例

摘要

This thesis focuses on the study of certain complex cooperative processes in soft condensed matter systems by computer simulation and theory. The systems studied include magnetic self-assembly on the centimeter scale, radial collapse of carbon nanotubes on a surface, water filling of hydrophobic pores, and the vitrification of screened Coulombic systems and the formation of a Wigner glass. After a brief introduction in Chapter 1, Chapter 2 describes the spontaneous folding of flat elastomeric sheets patterned with magnetic dipoles into free-standing, 3D objects that are the topological equivalents of spherical shells. Chapter 3 develops a variation of the well-established nudged elastic band method for the location of transition states in complicated physical systems. Chapter 4 presents a study of radial collapse in carbon nanotubes in contact with a surface. Relative stability of open and collapsed states are determined and a relatively simple method for producing a metal-semiconductor junction in carbon nanotubes is proposed. In Chapter 5 we show that increasing the flexibility of nanometer sized pores increases their hydrophobicity and slows down water transport across the pore. Finally, in Chapter 6, we report on a computer simulation of a successful approach to a Wigner glass---a glassy state in Coulombic purely repulsive systems, which is thought to form in low density charged colloids. The structural and dynamical properties of the system as the glassy region is approached show behavior characteristic of glass-forming liquids, and comparisons are made with Lennard-Jones systems and Mode Coupling Theory.
机译:本文主要通过计算机模拟和理论研究软凝聚态系统中某些复杂的合作过程。研究的系统包括厘米级的磁性自组装,表面上碳纳米管的径向塌陷,疏水孔的注水,筛选的库仑系统的玻璃化和维格纳玻璃的形成。在第1章中进行了简要介绍之后,第2章介绍了将带有磁偶极子图案的弹性平板材料自然折叠成独立的3D对象,这些对象相当于球形壳的拓扑结构。第3章对复杂物理系统中过渡态的位置提出了完善的微调弹性带方法。第4章介绍了碳纳米管与表面接触时径向塌陷的研究。确定了打开和折叠状态的相对稳定性,并提出了一种相对简单的在碳纳米管中产生金属-半导体结的方法。在第5章中,我们表明增加纳米级孔的柔韧性会增加其疏水性并减慢水在孔中的传输。最后,在第6章中,我们报告了一种成功模拟维格纳玻璃的方法的计算机模拟,该方法是库仑纯排斥系统中的玻璃态,据认为是在低密度带电胶体中形成的。当接近玻璃态区域时,系统的结构和动力学特性显示出玻璃形成液体的行为特征,并与Lennard-Jones系统和模式耦合理论进行了比较。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号