Caprion D, Matsui J, Schober HR
Institut fur Festkorperforschung, Forschungszentrum Julich, D-52425 Julich, Germany.
Phys Rev Lett. 2000 Nov 13;85(20):4293-6. doi: 10.1103/PhysRevLett.85.4293.
We report an investigation of the heterogeneity in supercooled liquids and glasses using the non-Gaussianity parameter. We simulate selenium and a binary Lennard-Jones system by molecular dynamics. In the non-Gaussianity three time domains can be distinguished: an increase on the ps scale due to the vibrational (ballistic) motion of the atoms, followed by a growth, due to local relaxations ( beta relaxation) at not too high temperatures, and finally a slow drop at long times. The non-Gaussianity follows in the intermediate time domain a sqrt[t] law. This is explained by collective hopping and dynamic heterogeneity. We support this finding by a model calculation.
我们报告了一项使用非高斯性参数对过冷液体和玻璃中的非均匀性进行的研究。我们通过分子动力学模拟了硒和二元 Lennard-Jones 系统。在非高斯性中,可以区分出三个时间域:由于原子的振动(弹道)运动,在皮秒尺度上增加,随后由于在不太高温度下的局部弛豫(β弛豫)而增长,最后在长时间出现缓慢下降。在中间时间域,非高斯性遵循√t规律。这可以通过集体跳跃和动态非均匀性来解释。我们通过模型计算支持了这一发现。