The cross-slip rate of screw segments in dislocation dynamics simulations was calculated using the model of Esteban-Manzanares et al. (2020), which is based on a combination of the harmonic transition state theory and the Meyer–Neldel rule. In said model, the cross-slip rate is expressed as a function of the microstructure parameters. In particular, the rate prefactor depends on the nucleation length of cross-slip and the activation enthalpy, which are themselves functions of the local stress. Malka-Markovitz and Mordehai (2019) solved the line tension model of cross-slip exactly by linearizing the interaction force between the partials. They obtained analytical expressions for the nucleation length and the activation enthalpy as functions of a general stress state. These expressions were used to evaluate the cross-slip rate at each simulation step. The results are in quantitative agreement with atomistic simulations.

使用Esteban-Manzanares等人的模型计算了位错动力学模拟中的螺钉节段的交叉滑动率。（2020年），这是基于谐波过渡态理论和Meyer-Neldel规则的结合。在所述模型中，交叉滑动率表示为微观结构参数的函数。特别地，速率因子取决于交叉滑动的成核长度和激活焓，它们本身是局部应力的函数。Malka-Markovitz和Mordehai（2019）通过线性化零件之间的相互作用力来精确求解交叉滑动的线张力模型。他们获得了成核长度和活化焓作为一般应力状态的函数的解析表达式。这些表达式用于评估每个模拟步骤的交叉滑移率。结果与原子模拟定量一致。