平衡球曲面二维Lennard-Jones系统
Equilibrium spherically curved 2D Lennard-Jones systems
摘要：
为了了解纳米尺度球形分子壳在形成过程中的基本情况，模拟了球形弯曲的二维N粒子Lennard-Jones系统，研究了零温度下的曲率演化路径。对于许多N值（N<800），平衡组态被追踪为曲率半径R的函数。在拓扑结构有重大差异的轨迹之间的R的微小变化的急剧跳跃对应于雪崩式的过渡。对于一个典型的情况，N=25，平衡位形落在状态空间中的光滑轨迹上，可以在E-R平面中跟踪。这些轨迹出现了局部能量极小值，由此可以发展出稳定曲率下的N增长。
英文摘要：
To learn about basic aspects of nano-scale spherical molecular shells during their formation, spherically curved two-dimensional N-particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero-temperature. For many N-values (N<800) equilibrium configurations are traced as a function of the curvature radius R. Sharp jumps for tiny changes in R between trajectories with major differences in topological structure correspond to avalanche-like transitions. For a typical case, N=25, equilibrium configurations fall on smooth trajectories in state space which can be traced in the E-R plane. The trajectories show-up with local energy minima, from which growth in N at steady curvature can develop.
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