Yielding transition of amorphous solids in the presence of aspherical impurities

Abstract: Understanding the mechanical properties of amorphous solids is a crucial area of research due to the fascinating phenomena they exhibit under external deformations and their importance in industrial applications. Although these solids have higher yield strength compared to crystalline solids of similar composition, they often fail catastrophically through shear band formation. Tuning their mechanical behavior is vital for material design. Engineers have long been seeking ways to improve the ability of amorphous solids to withstand external deformations, with micro-alloying being a popular method. By adding small amounts of different materials to pure samples, microalloying can enhance yield strain, although the microscopic mechanisms behind this process remain poorly understood. We conducted a study with extensive molecular dynamics simulations on model amorphous solids to investigate the effect of asphericity of the impurity particles on their yielding behaviour. Our results indicate that aspherical impurities free to rotate can significantly increase the yield threshold. Conversely, when impurities are unable to rotate, they can lead to the formationof extremely brittle, ultrastable-like systems. The rotational degrees of freedom are controlled bychanging the aspect ratio of the impurity,and they play a crucial role in influencing shear bandformation. Additionally, we found that including larger impurities enhances the structural stabilityof the parent glass matrix.