论文标题
操纵纳米级的玻璃过渡
Manipulating the Glass Transition in Nanoscale
论文作者
论文摘要
长期以来，玻璃状态或玻璃过渡的内在性质一直是一个谜。最近，越来越多的研究倾向于表明玻璃位于特定的势能景观（PEL）。为了探索PEL的平坦度与玻璃过渡的关系，我们开发了一种以可控方式调整PEL的方法。我们证明，相对平坦的pel不仅是必要的，而且足以形成纳米级玻璃。我们表明：（1）只要纳米簇位于pel的区域，局部最小的深度足够深，就可以进行一阶固液相变； （2）如果纳米簇位于相对平坦的pel中，则可以进行玻璃过渡。所有这些转变都与其结构对称，顺序或混乱无关。我们的仿真还发现了从一个势能最小值到另一个玻璃过渡温度以下的直接过渡，这是平板的结果。
The intrinsic nature of glass states or glass transitions has been a mystery for a long time. Recently, more and more studies tend to show that a glass locates at a specific potential energy landscape (PEL). To explore how the flatness of the PEL related to glass transition, we develop a method to adjust the PEL in a controllable manner. We demonstrate that a relatively flat PEL is not only necessary but also sufficient for the formation of a nanoscale glass. We show that: (1) as long as a nanocluster is located in a region of PEL with local minimum deep enough, it can undergo a first-order solid-liquid phase transition; and (2) if a nanocluster is located in a relatively flat PEL, it can undergo a glass transition. All these transitions are independent of its structure symmetry, order or disorder. Our simulations also uncover the direct transition from one potential energy minimum to another below the glass transition temperature, which is the consequence of flat PELs.
