论文标题
在超冷金属玻璃形成液体中揭示了恢复活力的疾病状态
Revealing Rejuvenated Disorder States towards Crystallization in a Supercooled Metallic Glass-Forming Liquid
论文作者
论文摘要
我们通过开发适当的集体变量，报告了深层底层金属玻璃形成液体中结晶的元动力学模拟研究。通过对自由能表面（FES）和原子水平的行为的结合分析，揭示了异常的式结晶过程的图片：首先通过更改局部化学秩序的局部化学秩序而形成的局部五倍压平和快速动态的恢复活力的疾病状态，然后将其作为良好的结晶构成的物质构成的物质。该过程反映了一个复杂的能量景观，其分离良好的玻璃盆地和水晶盆地，从而直接证明了固有的挫败感，反对深层底层底层金属玻璃形成液体的结晶。此外，具有不同身体行为的复兴疾病状态通过控制金属熔体的热史来定制金属玻璃的性能。
We report a metadynamics simulation study of crystallization in a deep undercooled metallic glass-forming liquid by developing appropriate collective variables. Through a combined analysis of free energy surface (FES) and atomic-level behaviors, a picture of an abnormal-endothermic crystallization process is revealed: rejuvenated disorder states with less local fivefold-symmetry and fast dynamics form firstly by changing the local chemical order around Cu atoms, which then act as the precursor for the nucleation of well-ordered crystallites. This process reflects a complex energy landscape with well-separated glassy and crystal basins, giving rise to the direct evidence of intrinsic frustration against crystallization in deep undercooled metallic glass forming liquids. Moreover, the rejuvenated disorder states with distinct physical behaviors offer great opportunities to tailor the performances of metallic glass by controlling the thermal history of a metallic melt.
