热孤立亚稳团簇寿命的温度依赖性
On the Temperature Dependence of the Lifetime of Thermally Isolated Metastable Clusters
摘要:
用分子动力学方法计算了绝热亚稳N8立方烷衰变为N2分子的寿命随温度的变化关系。它已被证明,这种依赖性显着偏离阿克里先乌斯定律。通过对所得结果的统计分析,证明了有限热浴理论对描述热隔离原子团簇的适用性。
英文摘要:
The temperature dependence of the lifetime of the thermally isolated metastable N8 cubane up to its decay into N2 molecules has been calculated by the molecular dynamics method. It has been demonstrated that this dependence significantly deviates from the Arrhenius law. The applicability of the finite heat bath theory to the description of thermally isolated atomic clusters has been proved using statistical analysis of the results obtained.
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