Appignanesi G A, Rodríguez Fris J A, Montani R A, Kob W
Laboratorio de Fisicoquímica, Departamento de Química, Universidad Nacional del Sur, Avenida Alem 1253, 8000 Bahía Blanca, Argentina.
Phys Rev Lett. 2006 Feb 10;96(5):057801. doi: 10.1103/PhysRevLett.96.057801. Epub 2006 Feb 8.
We use molecular dynamics computer simulations to investigate the local motion of the particles in a supercooled binary liquid. Using the concept of the distance matrix, we find that the alpha relaxation corresponds to a small number of crossings from one metabasin to a neighboring one. Each crossing is very rapid and involves the collective motion of O(40) particles that form a relatively compact cluster, whereas stringlike motions seem not to be relevant for these transitions. These compact clusters are thus potential candidates for the cooperatively rearranging regions proposed a long time ago by Adam and Gibbs.
我们使用分子动力学计算机模拟来研究过冷二元液体中粒子的局部运动。利用距离矩阵的概念，我们发现α弛豫对应于从一个亚稳态到相邻亚稳态的少量穿越。每次穿越都非常迅速，涉及到约40个粒子的集体运动，这些粒子形成一个相对紧凑的团簇，而线状运动似乎与这些转变无关。因此，这些紧凑团簇可能是很久以前亚当和吉布斯提出的协同重排区域的候选者。
