二维库仑团簇动力学和热力学中的有限尺寸效应
Finite size effects in the dynamics and thermodynamics of 2D Coulomb clusters
摘要：
本文用分子动力学和蒙特卡罗模拟重新研究了二维库仑团簇的熔化动力学和热力学。几个参数，包括林德曼指数，最大李雅普诺夫指数和扩散常数。除了取向和径向熔化过程，异构化和复杂的尺寸效应被认为是发生在一个非常相似的方式，原子和分子团簇。结果进行了讨论的能量景观表示通过断开图，适当注意到破碎的遍历性问题的模拟。我们也研究了由1/r^3和e^{-κr}/r力束缚的团簇，以及由单电荷和双电荷物质组成的异质团簇，以及向更大系统的演化。
英文摘要：
The dynamics and thermodynamics of melting in two-dimensional Coulomb clusters is revisited using molecular dynamics and Monte Carlo simulations. Several parameters are considered, including the Lindemann index, the largest Lyapunov exponent and the diffusion constant. In addition to the orientational and radial melting processes, isomerizations and complex size effects are seen to occur in a very similar way to atomic and molecular clusters. The results are discussed in terms of the energy landscape represented through disconnectivity graphs, with proper attention paid to the broken ergodicity problems in simulations. Clusters bound by 1/r^3 and e^{-κr}/r forces, and heterogeneous clusters made of singly- and doubly-charged species, are also studied, as well as the evolution toward larger systems.
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