Non-equilibrium theory of nucleation at first order phase transitions.

成核通常采用准平衡方法，如经典成核理论或过渡态理论来模拟。这些方法忽略了相变过程固有的非平衡性质，特别是记忆效应。我们最近通过一个随时间的投影算子形式导出了成核过程的理论，从而充分考虑到问题的非平衡性质。到目前为止，我们只知道这个理论的一般数学结构。在提议的项目中，我们计划将理论应用于具体系统（具有Lennard-Jones和Asakura-Oosawa相互作用的系统）。我们的目标是，特别地，确定记忆效应的来源。理论工作将伴随着计算机模拟来检验理论预测。

Nucleation is commonly modeled by means of quasi-equilibrium approaches such as classical nucleation theory or transition state theory. These approaches neglect the inherentnon-equilibrium nature of phase transition processes and, in particular, memory effects.We have recently derived a theory for the nucleation process by means of a time-dependentprojection operator formalism, thus fully taking into account the non-equilibrium natureof the problem. Up to now, we only know the general mathematical structure of thistheory. In the proposed project we plan to apply the theory to concrete systems (systemswith Lennard-Jones and Asakura-Oosawa interactions). Our aim is, in particular, to identifiy sources of memory-effects. The theoretical work will be accompanied by computersimulations to test the theoretical predictions.