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非晶态Si3B3N7中的非平衡动力学

Nonequilibrium dynamics in amorphous Si3B3N7.

作者信息

Hannemann A, Schön J C, Jansen M, Sibani P

机构信息

Max Planck Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany.

出版信息

J Phys Chem B. 2005 Jun 16;109(23):11770-6. doi: 10.1021/jp050586h.

Abstract

We present extensive numerical investigations of the structural relaxation dynamics of a realistic model of the amorphous high-temperature ceramic a-Si3B3N7, probing the mean-square displacement of the atoms, the bond survival probability, the average energy, the specific heat, and the two-point energy average. Combining the information from these different sources, we identify a transition temperature Tc approximately 2000 K below which the system is no longer ergodic and physical quantities observed over a time t(obs) show a systematic parametric dependence on the waiting time t(w), or age, elapsed after the quench. The aging dynamics "stiffens" as the system becomes older, which is similar to the behavior of highly idealized models such as Ising spin glasses and Lennard-Jones glasses.

摘要

我们对非晶态高温陶瓷a-Si3B3N7的真实模型的结构弛豫动力学进行了广泛的数值研究,探究了原子的均方位移、键存活概率、平均能量、比热以及两点能量平均值。综合来自这些不同来源的信息,我们确定了一个约为2000 K的转变温度Tc,低于该温度时系统不再遍历,在淬火后经过的等待时间t(w)(即老化时间)t(obs)内观察到的物理量呈现出对等待时间的系统参数依赖性。随着系统老化,老化动力学“变硬”,这与诸如伊辛自旋玻璃和 Lennard-Jones 玻璃等高度理想化模型的行为相似。

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