Science. 1984 Sep 7;225(4666):983-9. doi: 10.1126/science.225.4666.983.
Classification of potential energy minima-mechanically stable molecular packings-offers a unifying principle for understanding condensed phase properties. This approach permits identification of an inherent structure in liquids that is normally obscured by thermal motions. Melting and freezing occur through characteristic sequences of molecular packings, and a defect-softening phenomenon underlies the fact that they are thermodynamically first order. The topological distribution of feasible transitions between contiguous potential minima explains glass transitions and associated relaxation behavior.
势能极小的分类——机械稳定的分子堆积方式——为理解凝聚相性质提供了一个统一的原理。这种方法可以识别液体中的固有结构,而通常这些结构会被热运动所掩盖。熔化和凝固是通过分子堆积的特征序列发生的,而缺陷软化现象则是它们在热力学上属于一级相变的基础。相邻势能极小之间可行转变的拓扑分布解释了玻璃转变和相关的弛豫行为。