液体过冷能源景观的全球展望 液体和玻璃系统：势能景观集合

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摘要翻译：
原则上，多体系统的所有动力学复杂性都被封装在原子在其上运动的势能景观中--这一观察表明动力学的本质应该由这些景观的几何形状决定。但是控制长时间动力学的主要几何特征是什么呢？我们认为，关键不在于景观的局部最小值和鞍点，而在于地表的一个更全局的属性：它的可达路径。为了使这一概念更加精确，我们引入了两个想法：（1）转换到一个新的集合，从问题中移除潜在障碍的概念；（2）在这个新集合中寻找最佳路径的方法。本文所描述的势能景观系综将最大可达势能而不是温度作为控制变量。我们在这里表明，虽然这种方法在热力学上等同于正则系综，但它不仅回避了屏障的概念，还允许我们对景观的连通性进行定量。我们在简单的原子液体和玻璃形成液体的Kob-Andersen模型上的计算说明了这些观点，表明在这个过程中，Kob-Anderson模型的景观在与其模式耦合跃迁相关的景观能量处出现了连通性跃迁。在我们的同伴论文中，我们转向通过势能景观寻找最有效途径的问题。
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英文标题：
《Global perspectives on the energy landscapes of liquids, supercooled
  liquids, and glassy systems: The potential energy landscape ensemble》
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作者：
Chengju Wang and Richard M. Stratt
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最新提交年份：
2007
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分类信息：

一级分类：Physics        物理学
二级分类：Soft Condensed Matter        软凝聚态物质
分类描述：Membranes, polymers, liquid crystals, glasses, colloids, granular matter
膜，聚合物，液晶，玻璃，胶体，颗粒物质
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一级分类：Physics        物理学
二级分类：Statistical Mechanics        统计力学
分类描述：Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变，热力学，场论，非平衡现象，重整化群和标度，可积模型，湍流
--

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英文摘要：
  In principle, all of the dynamical complexities of many-body systems are encapsulated in the potential energy landscapes on which the atoms move - an observation that suggests that the essentials of the dynamics ought to be determined by the geometry of those landscapes. But what are the principal geometric features that control the long-time dynamics? We suggest that the key lies not in the local minima and saddles of the landscape, but in a more global property of the surface: its accessible pathways. In order to make this notion more precise we introduce two ideas: (1) a switch to a new ensemble that removes the concept of potential barriers from the problem, and (2) a way of finding optimum pathways within this new ensemble. The potential energy landscape ensemble, which we describe in the current paper, regards the maximum accessible potential energy, rather than the temperature, as a control variable. We show here that while this approach is thermodynamically equivalent to the canonical ensemble, it not only sidesteps the idea of barriers, it allows us to be quantitative about the connectivity of a landscape. We illustrate these ideas with calculations on a simple atomic liquid and on the Kob-Andersen model of a glass-forming liquid, showing, in the process, that the landscape of the Kob-Anderson model appears to have a connectivity transition at the landscape energy associated with its mode-coupling transition. We turn to the problem of finding the most efficient pathways through potential energy landscapes in our companion paper.
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PDF链接：
https://arxiv.org/pdf/706.4292

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关键词：connectivity Quantitative Perspectives Calculations perspective landscape liquids 表明 landscapes 寻找