Tang Longwen, Liu Han, Ma Gang, Du Tao, Mousseau Normand, Zhou Wei, Bauchy Mathieu
State Key Laboratory of Water Resources and Hydropower Engineering Science, Wuhan University, Wuhan 430072, China.
Mater Horiz. 2021 Apr 1;8(4):1242-1252. doi: 10.1039/d0mh00980f. Epub 2021 Feb 4.
Based on their structure, non-crystalline phases can fail in a brittle or ductile fashion. However, the nature of the link between structure and propensity for ductility in disordered materials has remained elusive. Here, based on molecular dynamics simulations of colloidal gels and silica glasses, we investigate how the degree of structural disorder affects the fracture of disordered materials. As expected, we observe that structural disorder results in an increase in ductility. By applying the activation-relaxation technique (an open-ended saddle point search algorithm), we demonstrate that the propensity for ductility is controlled by the topography of the energy landscape. Interestingly, we observe a power-law relationship between the particle non-affine displacement upon fracture and the average local energy barrier. This reveals that the dynamics of the particles upon fracture is encoded in the static energy landscape, i.e., before any load is applied. This relationship is shown to apply to several classes of non-crystalline materials (oxide and metallic glasses, amorphous solid, and colloidal gels), which suggests that it may be a generic feature of disordered materials.
基于其结构,非晶相可能以脆性或延性方式失效。然而,无序材料中结构与延展性倾向之间联系的本质仍然难以捉摸。在此,基于胶体凝胶和二氧化硅玻璃的分子动力学模拟,我们研究结构无序程度如何影响无序材料的断裂。正如预期的那样,我们观察到结构无序导致延展性增加。通过应用激活 - 弛豫技术(一种开放式鞍点搜索算法),我们证明延展性倾向由能量景观的地形所控制。有趣的是,我们观察到断裂时粒子非仿射位移与平均局部能垒之间存在幂律关系。这表明断裂时粒子的动力学在静态能量景观中编码,即在施加任何载荷之前。这种关系被证明适用于几类非晶材料(氧化物和金属玻璃、非晶固体以及胶体凝胶),这表明它可能是无序材料的一个普遍特征。