论文标题
最小能量路径的稳定性
Stability of the Minimum Energy Path
论文作者
论文摘要
最小能量路径(MEP)是连接势能景观两个平衡状态的最可能的过渡路径。它已被广泛用于研究化学,物理学和材料科学领域的过渡机制以及过渡率。在本文中,我们得出了一个新的结果,确立了在能量景观扰动下MEP的稳定性。结果也代表了研究MEP的各种数值近似值的收敛性的关键步骤,例如轻度弹性带和弦方法。
The minimum energy path (MEP) is the most probable transition path that connects two equilibrium states of a potential energy landscape. It has been widely used to study transition mechanisms as well as transition rates in the fields of chemistry, physics, and materials science. In this paper, we derive a novel result establishing the stability of MEPs under perturbations of the energy landscape. The result also represents a crucial step towards studying the convergence of various numerical approximations of MEPs, such as the nudged elastic band and string methods.