Lu Z, Shang B S, Sun Y T, Zhu Z G, Guan P F, Wang W H, Bai H Y
Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
Beijing Computational Science Research Center, Beijing 100094, China.
J Chem Phys. 2016 Apr 14;144(14):144501. doi: 10.1063/1.4945279.
The β-relaxation, which is the source of the dynamics in glass state and has practical significance to relaxation and mechanical properties of glasses, has been an open question for decades. Here, we propose a flow unit perspective to explain the structural origin and evolution of β-relaxation based on experimentally obtained energy distribution of flow units using stress relaxation method under isothermal and linear heating modes. Through the molecular dynamics simulations, we creatively design various artificial metallic glass systems and build a direct relation between β-relaxation behavior and features of flow units. Our results demonstrate that the β-relaxation in metallic glasses originates from flow units and is modulated by the energy distribution of flow units, and the density and distribution of flow units can effectively regulate the β-relaxation behavior. The results provide a better understanding of the structural origin of β-relaxation and also afford a method for designing metallic glasses with obvious β-relaxation and better mechanical properties.
β弛豫是玻璃态动力学的来源,对玻璃的弛豫和力学性能具有实际意义,几十年来一直是一个悬而未决的问题。在此,我们提出一种流动单元视角,基于等温及线性加热模式下采用应力松弛方法实验获得的流动单元能量分布,来解释β弛豫的结构起源和演化。通过分子动力学模拟,我们创造性地设计了各种人工金属玻璃体系,并建立了β弛豫行为与流动单元特征之间的直接关系。我们的结果表明,金属玻璃中的β弛豫源于流动单元,并受流动单元能量分布的调制,流动单元的密度和分布可有效调节β弛豫行为。这些结果为更好地理解β弛豫的结构起源提供了依据,也为设计具有明显β弛豫和更好力学性能的金属玻璃提供了一种方法。