Department of Physics, University of Michigan, Ann Arbor, Michigan 48109-2136, USA.
J Chem Phys. 2010 Nov 7;133(17):174107. doi: 10.1063/1.3499321.
We introduce a new forward flux sampling in time algorithm to efficiently measure transition times in rare-event processes in nonequilibrium systems and apply it to study the first-order (discontinuous) kinetic transition in the Ziff-Gulari-Barshad model of catalytic surface reaction. The average time for the transition to take place, as well as both the spinodal and transition points, is efficiently found by this method.
我们引入了一种新的正向通量抽样时间算法，以有效地测量非平衡系统中稀有事件过程的跃迁时间，并将其应用于研究 Ziff-Gulari-Barshad 催化表面反应模型中的一级（不连续）动力学跃迁。该方法能够有效地找到跃迁发生的平均时间以及旋节线和跃迁点。
