时空中的溶剂化:轨迹空间中的预跃迁效应
Solvation in Space-Time: Pre-transition Effects in Trajectory Space
摘要:
我们证明了在时空中的轨迹,其中的动力学显示一个一阶相变不同的动力学阶段之间的预过渡效果。这些效应类似于热力学一阶相变中观察到的效应,最显著的是在水中的疏水效应。考虑(无限温度)东模型作为一个基本的例子,我们研究的“时空溶剂化”的性质,通过检查轨迹,有限的时空区域的条件是不活跃的,否则活跃的阶段。类似于理想的疏水溶质在水中,我们表明,溶剂化的非活性区域的时空内的一个活动的轨迹显示两个制度的动力学相当于溶剂化自由能:一种“熵”小溶质状态,其中不相关的波动足以从溶质中排出活性,以及“高能”大溶质状态,其涉及溶质诱导的非活性域的形成,所述非活性域具有承载动态界面张力的相关活性-非活性界面。我们还表明,由于这种动态的界面张力有一个动态模拟的疏水崩溃,驱动大会的大型疏水体在水中。我们讨论的一般相关性,这些结果的动态波动的性质在系统中缓慢的集体松弛,如玻璃成型机。
英文摘要:
We demonstrate pre-transition effects in space-time in trajectories of systems in which the dynamics displays a first-order phase transition between distinct dynamical phases. These effects are analogous to those observed for thermodynamic first-order phase transitions, most notably the hydrophobic effect in water. Considering the (infinite temperature) East model as an elementary example, we study the properties of "space-time solvation" by examining trajectories where finite space-time regions are conditioned to be inactive in an otherwise active phase. Analogous to ideal hydrophobic solutes in water, we show that solvating an inactive region of space-time within an active trajectory shows two regimes in the dynamical equivalent of solvation free energy: an "entropic" small solute regime in which uncorrelated fluctuations are sufficient to evacuate activity from the solute, and an "energetic" large solute regime which involves the formation of a solute-induced inactive domain with an associated active-inactive interface bearing a dynamical interfacial tension. We also show that as a result of this dynamical interfacial tension there is a dynamical analog of the hydrophobic collapse that drives the assembly of large hydrophobes in water. We discuss the general relevance of these results to the properties of dynamical fluctuations in systems with slow collective relaxation such as glass formers.
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