论文标题
由应力诱导的结构各向异性揭示的玻璃的原子尺度变形过程
Atomic-scale Deformation Process of Glasses Unveiled by Stress-induced Structural Anisotropy
论文作者
论文摘要
由于玻璃结构的无序性质,在实验上解决了变形玻璃的原子尺度结构变化仍然具有挑战性。在这里,我们表明结构各向异性在热机械变形后作为不同类型的玻璃(金属眼镜,氧化物玻璃,无定形硒和聚合物玻璃)的一般标志,并且它与局部非蛋白质原子原子置换高度相关,并高度相关。通过分析各向异性对密度函数,我们揭示了负责塑料流的原子级机制,该机制在金属玻璃和共价玻璃杯之间尤为不同。金属玻璃中的结构重排是通过切割和形成原子键的介导的,原子键发生在嵌入弹性矩阵中的某些局部非弹性区域中,而共价玻璃的结构键是通过原子键的旋转或无键长的旋转而介导的,而无键的旋转发生在较少的本地化方式中。
Experimentally resolving atomic-scale structural changes of a deformed glass remains challenging owing to the disordered nature of glass structure. Here, we show that the structural anisotropy emerges as a general hallmark for different types of glasses (metallic glasses, oxide glass, amorphous selenium, and polymer glass) after thermo-mechanical deformation, and it is highly correlates with local nonaffine atomic displacements detected by the high-energy X-ray diffraction technique. By analyzing the anisotropic pair density function, we unveil the atomic-level mechanism responsible for the plastic flow, which notably differs between metallic glasses and covalent glasses. The structural rearrangements in metallic glasses are mediated through cutting and formation of atomic bonds, which occurs in some localized inelastic regions embedded in elastic matrix, whereas that of covalent glasses is mediated through the rotation of atomic bonds or chains without bond length change, which occurs in a less localized manner.