论文标题
预测金属玻璃中剪切带启动的位置
Predicting the location of shear band initiation in a metallic glass
论文作者
论文摘要
我们报告了原子模拟结果，这些模拟结果表明，金属玻璃（MG）中剪切带的位置只能以相当高的精度来确定，仅来自未完整的静态结构。在模拟MG中剪切带的启动的位置与应力驱动的剪切转化的肥沃位点密度（DFS）的初始分布之间观察到相关性，该密度基于我们最近的工作中设计的深度学习模型，确定了一个先验的剪切转换。社区。 12，1506（2021）]。此外，我们证明了一个人可以仅基于其初始DFS分布来判断玻璃是易碎的还是易延性的。这些验证了MG中的剪切带是由非线性不稳定性引起的，并且液压玻璃结构包含影响这些不稳定性的不均匀性。这项工作还揭示了关于静脉过准剪切模拟的非确定性性质的重要微妙之处。
We report atomistic simulation results which indicate that the location of shear banding in a metallic glass (MG) can be ascertained with reasonably high accuracy solely from the undeformed static structure. Correlation is observed between the location of the initiation of shear bands in a simulated MG and the initial distribution of the density of fertile sites (DFS) for stress-driven shear transformations identified a priori based on a deep learning model devised in our recent work [Fan and Ma, Nat. Commun. 12, 1506 (2021)]. In addition, we demonstrated that one can judge whether a glass is brittle or ductile solely based upon its initial DFS distribution. These validate that shear bands in MG arise from non-linear instabilities, and that the as-quenched glass structure contains inhomogeneities that influence these instabilities. This work also reveals an important subtlety regarding the non-deterministic nature of athermal quasistatic shear simulations.
