首页> 外文期刊>The Journal of Chemical Physics >Glass formation in a mixture of hard disks and hard ellipses
【24h】

Glass formation in a mixture of hard disks and hard ellipses

机译:硬盘和椭圆形混合体中的玻璃形成

获取原文
获取原文并翻译 | 示例
           

摘要

We present an event-driven molecular dynamics study of glass formation in two-dimensional binary mixtures composed of hard disks and hard ellipses, where both types of particles have the same area. We demonstrate that characteristic glass-formation behavior appears upon compression under appropriate conditions in such systems. In particular, while a rotational glass transition occurs only for the ellipses, both types of particles undergo a kinetic arrest in the translational degrees of freedom at a single density. The translational dynamics for the ellipses is found to be faster than that for the disks within the same system, indicating that shape anisotropy promotes the translational motion of particles. We further examine the influence of mixture's composition and aspect ratio on the glass formation. For the mixtures with an ellipse aspect ratio of k = 2, both translational and rotational glass transition densities decrease with increasing the disk concentration at a similar rate, and hence, the two glass transitions remain close to each other at all concentrations investigated. By elevating k, however, the rotational glass transition density diminishes at a faster rate than the translational one, leading to the formation of an orientational glass for the ellipses between the two transitions. Our simulations imply that mixtures of particles with different shapes emerge as a promising model for probing the role of particle shape in determining the properties of glass-forming liquids. Furthermore, our work illustrates the potential of using knowledge concerning the dependence of glass-formation properties on mixture's composition and particle shape to assist in the rational design of amorphous materials. (C) 2015 AIP Publishing LLC.
机译:我们提出了一种由事件驱动的分子动力学研究,研究了由硬盘和椭圆形组成的二维二元混合物中两种类型的颗粒具有相同面积的玻璃形成过程。我们证明在这种系统中的适当条件下压缩时会出现特征性的玻璃形成行为。特别地,虽然仅对于椭圆形发生旋转玻璃化转变,但是两种类型的颗粒均以单一密度在平移自由度上经历动力学停滞。发现椭圆的平移动力学比同一系统中的圆盘的平移动力学更快,这表明形状各向异性促进了粒子的平移运动。我们进一步检查了混合物的组成和纵横比对玻璃形成的影响。对于椭圆长径比为k = 2的混合物,平移和旋转玻璃化转变密度都以相似的速率随着圆盘浓度的增加而降低,因此,在所有研究的浓度下,两个玻璃化转变都保持彼此接近。但是,通过提高k,旋转玻璃的转变密度以比平移的更快的速率减小,从而导致在两个转变之间形成椭圆形的定向玻璃。我们的模拟表明,具有不同形状的颗粒混合物成为一种有前途的模型,可用于探索颗粒形状在确定玻璃形成液的性能中的作用。此外,我们的工作说明了利用有关玻璃形成特性对混合物成分和颗粒形状的依赖性的知识来帮助合理设计非晶材料的潜力。 (C)2015 AIP Publishing LLC。

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