连续统模型的自由能景观研究:应用于软物质系统
Surveying the Free Energy Landscapes of Continuum Models: Application to Soft Matter Systems
摘要:
各种方法被开发用于表征连续体,朗道型自由能模型的自由能景观。使用形态的脂质囊泡和多稳态液晶器件为例,我表明,该方法允许系统的研究,不仅最相关的最低能量配置,而且任何两个极小值之间的过渡路径,以及它们相应的能量势垒和过渡态配置。然后,可以使用断开图或网络表示来可视化自由能景观的全局视图。不同形式的自由能泛函和边界条件可以很容易地实现,从而使这些工具可以用于广泛的问题。
英文摘要:
A variety of methods are developed for characterising the free energy landscapes of continuum, Landau-type free energy models. Using morphologies of lipid vesicles and a multistable liquid crystal device as examples, I show that the methods allow systematic study of not only the most relevant minimum energy configurations, but also the transition pathways between any two minima, as well as their corresponding energy barriers and transition state configurations. A global view of the free energy landscapes can then be visualized using either a disconnectivity graph or a network representation. Different forms of free energy functionals and boundary conditions can be readily implemented, thus allowing these tools to be utilised for a broad range of problems.
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