首页> 美国卫生研究院文献>Nature Communications >Energy landscape-driven non-equilibrium evolution of inherent structure in disordered material
【2h】

Energy landscape-driven non-equilibrium evolution of inherent structure in disordered material

机译:能源景观驱动的无序材料内在结构的非平衡演化

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

Complex states in glasses can be neatly expressed by the potential energy landscape (PEL). However, because PEL is highly multi-dimensional it is difficult to describe how the system moves around in PEL. Here we demonstrate that it is possible to predict the evolution of macroscopic state in a metallic glass, such as ageing and rejuvenation, through a set of simple equations describing excitations in the PEL. The key to this simplification is the realization that the step of activation from the initial state to the saddle point in PEL and the following step of relaxation to the final state are essentially decoupled. The model shows that the interplay between activation and relaxation in PEL is the key driving force that simultaneously explains both the equilibrium of supercooled liquid and the thermal hysteresis observed in experiments. It further predicts anomalous peaks in truncated thermal scanning, validated by independent molecular dynamics simulation.
机译:玻璃中的复杂状态可以通过势能态(PEL)巧妙地表达。但是,由于PEL是高度多维的,因此很难描述系统如何在PEL中移动。在这里,我们证明了可以通过描述PEL中激发的一组简单方程式来预测金属玻璃中宏观状态的演变,例如老化和复兴。简化的关键是要认识到,从PEL的初始状态到鞍点的激活步骤与从松弛到最终状态的后续步骤基本上是分离的。该模型表明,PEL中活化与弛豫之间的相互作用是关键的驱动力,它同时解释了过冷液体的平衡和实验中观察到的热滞现象。它通过独立的分子动力学模拟进一步预测了截短的热扫描中的异常峰。

著录项

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