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根据一种气体—表面相互作用势,采用分子动力学中准经典轨线方法,计算了N_2分子在W(001)表面吸附的运动轨迹。结果给出了吸附过程的几类分子动态特径,为了解吸附的微观过程提供了一种直观的图象。
According to a gas-surface interaction potential, the trajectory of N 2 molecule adsorbed on the W (001) surface is calculated using the quasi-classical trajectory method in molecular dynamics. The results give several kinds of molecular dynamics of the adsorption process, providing an intuitive picture for understanding the microscopic process of adsorption.