首页> 外文OA文献 >Cage effect in supercooled molecular liquids: Local anisotropies and collective solid-like response
【2h】

Cage effect in supercooled molecular liquids: Local anisotropies and collective solid-like response

机译:过冷分子液体中的笼效应:局部各向异性和集体类固相反应

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

Both local geometry and collective extended excitations drive the moves of a particle in the cage of its neighbours in dense liquids. The strength of their influence is investigated by the molecular dynamics simulations of a supercooled liquid of fully flexible trimers with semirigid or rigid bonds. The rattling in the cage is investigated on different length scales. First, the rattling anisotropy due to local order is characterized by two order parameters sensing the monomers succeeding or failing to escape from the cage. Then the collective response of the surroundings excited by the monomer-monomer collisions is considered. The collective response is initially restricted to the nearest neighbours of the colliding particle by a Voronoi analysis revealing elastic contributions. Then the long-range excitation of the farthest neighbours is scrutinised by searching spatially extended correlations between the simultaneously fast displacements of the caged particle and the surroundings. It is found that the longitudinal component has stronger spatial modulation than the transverse one with a wavelength of about one particle diameter, in close resemblance with experimental findings on colloids. It is concluded that the cage rattling is largely affected by solid-like extended modes.
机译:局部几何形状和集体扩展激发都驱动粒子在稠密液体中在其邻居笼中的运动。通过分子动力学模拟研究了具有半刚性或刚性键的完全柔性三聚体的过冷液体的分子动力学模拟。笼子里的嘎嘎声是在不同的长度范围内进行研究的。首先,由于局部有序的咔嗒各向异性是由两个有序参数来检测单体从笼中逃逸的特征。然后考虑由单体-单体碰撞激发的周围环境的集体响应。最初的集体反应通过显示弹性贡献的Voronoi分析被限制在碰撞粒子的最近邻居。然后,通过搜索笼状粒子与周围环境同时快速位移之间的空间扩展相关性,来检查最远邻居的远程激发。发现纵向成分比横向成分具有更强的空间调制,波长约为一个粒径,与对胶体的实验发现非常相似。可以得出结论,笼子的嘎嘎声很大程度上受类固形扩展模式的影响。

著录项

  • 作者

    Bernini, S.; Leporini, D.;

  • 作者单位
  • 年度 2016
  • 总页数
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

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