论文标题

基于学习的可塑性方法在Athermal剪切的无定形包装中:改善柔软度

Learning-based approach to plasticity in athermal sheared amorphous packings: Improving softness

论文作者

Rocks, Jason W., Ridout, Sean A., Liu, Andrea J.

论文摘要

经历剪切的无定形固体的可塑性的特征是颗粒的准定位重排。尽管存在许多可塑性模型,但塑料动力学与粒子本地环境的结构之间的精确关系仍然是一个悬而未决的问题。以前,机器学习被用来确定重排的结构预测指标,称为“柔软”。尽管柔软度已被证明可以预测哪些颗粒将以高精度重新排列,但是在数据有限且它所识别的描述符组合的实验中,该方法可能难以实现。在这里,我们解决了这两个弱点,对标准柔软度方法进行了两个重大改进。首先,我们提出了每个粒子观察到的迁移率的自然表示,允许使用统计模型,这些模型既简单又可以在有限的数据集中提供更高的精度。其次,我们采用持续的同源性作为识别简单,拓扑信息的结构量的系统手段,这些量易于通过实验来解释和测量。我们测试了准静态剪切下软球的二维无填料的方法。我们发现,相同的结构信息可以预测响应中较小的差异也可以预测塑料事件的定位位置。我们还发现,仅使用粒子的物种和最近的邻居触点的数量,可以在Athermal剪切包装中实现出色的精度。

The plasticity of amorphous solids undergoing shear is characterized by quasi-localized rearrangements of particles. While many models of plasticity exist, the precise relationship between plastic dynamics and the structure of a particle's local environment remains an open question. Previously, machine learning was used to identify a structural predictor of rearrangements, called "softness." Although softness has been shown to predict which particles will rearrange with high accuracy, the method can be difficult to implement in experiments where data is limited and the combinations of descriptors it identifies are often difficult to interpret physically. Here we address both of these weaknesses, presenting two major improvements to the standard softness method. First, we present a natural representation of each particle's observed mobility, allowing for the use of statistical models which are both simpler and provide greater accuracy in limited data sets. Second, we employ persistent homology as a systematic means of identifying simple, topologically-informed, structural quantities that are easy to interpret and measure experimentally. We test our methods on two-dimensional athermal packings of soft spheres under quasi-static shear. We find that the same structural information which predicts small variations in the response is also predictive of where plastic events will localize. We also find that excellent accuracy is achieved in athermal sheared packings using simply a particle's species and the number of nearest neighbor contacts.

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