论文标题

数据驱动的方法用于连续脱位动力学中的交叉滑移建模

A data driven approach for cross-slip modelling in continuum dislocation dynamics

论文作者

Vivekanandan, Vignesh, Anglin, Ben, El-Azab, Anter

论文摘要

交叉滑移是一个热活化过程,螺钉脱位将其滑动平面更改为另一个分享相同汉堡矢量的滑动平面。此过程发生的速率取决于Boltzmann类型表达式,该表达式是螺钉段长度的函数,应力作用于错位。在连续脱位动力学(CDD)中,由于密度的粗粒表示,有关螺钉位错段和局部应力状态的长度的信息丢失了。在这项工作中,提出了通过分析离散位错配置来表征丢失信息的数据驱动方法,以根据粗粒度的脱位密度和应力场在CDD框架中启用交叉滑移建模。分析表明,螺钉段长度遵循指数分布,而应力波动定义为洛伦兹分布遵循脱位的应力与CDD中的平均场应力之间的差异。提出了一种采用螺钉段长度和应力波动统计量的CDD实施的新型方法,并通过将CDD交叉滑移速率与离散脱位动力学(DDD)速率进行了严格测试。该方法已与DDD模拟中使用的三个交叉滑移模型一起应用,这些模拟主要以交叉滑移活化能的功能形式不同。发现不同的交叉激活能量制剂产生了不同的交叉滑移速率,但是[001]类型的加载对机械应力应变响应和脱位密度演化的影响最少。

Cross-slip is a thermally activated process by which screw dislocation changes its glide plane to another slip plane sharing the same Burgers vector. The rate at which this process happens is determined by a Boltzmann type expression that is a function of the screw segment length and the stress acting on the dislocation. In continuum dislocation dynamics (CDD), the information regarding the length of the screw dislocation segment and local stress state on dislocations are lost due to the coarse-grained representation of the density. In this work, a data driven approach to characterize the lost information by analyzing the discrete dislocation configurations is proposed to enable cross-slip modeling in the CDD framework in terms of the coarse-grained dislocation density and stress fields. The analysis showed that the screw segment length follows an exponential distribution, and the stress fluctuations, defined as the difference between the stress on the dislocations and the mean field stress in CDD, follows a Lorentzian distribution. A novel approach for cross slip implementation in CDD employing the screw segment length and stress fluctuation statistics was proposed and rigorously tested by comparing the CDD cross-slip rates with discrete dislocation dynamics (DDD) rates. This approach has been applied in conjunction with three cross-slip models used in DDD simulations differing mainly in the functional form of cross slip activation energy. It was found that different cross-slip activation energy formulations yielded different cross-slip rates, yet the effect on mechanical stress-strain response and dislocation density evolution was minimal for the [001] type loading.

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