Theory of glass transition in the energy landscape picture and nonequilibrium statistical physics

1. 首次观测到软堆过冷液的协同重排区。利用新建立的框架得到了能量景观图所描述的非平衡系统比热，得到了模型能量景观中不同冷却过程比热的温度依赖性，并表明玻璃化过渡点的异常可以用退火平均向淬火平均的转变来解释。引入了一个新的有序参数——退火度，并证明了它能有效地描述玻璃化转变。利用能量景观中盆地间跳变率的幂律分布，我们发现在玻璃化转变处的比热异常与实验是一致的。通过分子动力学模拟研究了不同模式双原子分子在过冷状态下的弛豫过程，结果表明，转动、振动和动动之间的耦合导致了Johari-Goldstein过程和高频翼的产生。在频域引入非高斯参数，研究了其在玻璃化转变附近的行为。利用弛豫时间的波数依赖性，提出了一种区分慢弛豫齐次与非齐次图像的新方法。

1. First observation of the cooperatively rearranging region was made for the supercooled liquid of soft-core discs.2. Using the newly developed frame work to obtain the specific heat of non-equilibriun system described by the energy landscape picture, the temperature dependence of the specific heat was obtained for various cooling process for a model energy landscape and it was shown that the anomaly at the glass transition point is explained by the transition from the annealed to the quenched average.3. A new order parameter, the degree of annealing, was introduced and was shown to be effective in describing the glass transition.4. Employing the power law distribution for the jump rate between basins in the energy landscape, we showed that the specific heat anomaly at the glass transition is comoatible with experiments.5. Relaxation process in the supercooled state of various modes of diatomic molecule were investigated by the molecular dynamics simulation and it was shown that coupling between rotational, bibrational and translational motions gives rise to the Johari-Goldstein process and the high frequency wing.6. A non-Gaussian parameter in the frequency domain was introduced and its behavior near the glass transition was investigated. Using the wave number dependence of the relaxation time we developed a new method to distinguish the homogeneous and non-homogeneous pictures for the slow relaxation.