论文标题

振荡性剪切对金属玻璃成核的影响:一项分子动力学研究

Influence of oscillatory shear on nucleation in metallic glasses: a molecular dynamics study

论文作者

Shang, Baoshuang, Jakse, Noel, Guan, Pengfei, Wang, Weihua, Barrat, Jean-louis

论文摘要

超声振动可以加速或阻碍晶体成核的过程,这对于金属玻璃的成瘾性制造和热塑性形成特别有吸引力,但是,振荡载荷对成核过程的影响和机制仍然难以捉摸。通过使用分子动力学模拟,在两种典型的二元合金中系统地研究了振荡性外部载荷下的时温转化(TTT)曲线的变化。发现玻璃形成能力取决于对外部加载的反应,最短的孵育时间对外部负载不敏感,而相应的温度可以显着转移。在经典成核理论的框架内,提出了一个拟合公式来定量描述模拟数据。与固定剪切相比,弹性应力而不是应变速率是控制振荡载荷下TTT曲线演变的关键参数。此外,该模型表明,振荡载荷可以使深层冷冷液体中的迁移率和成核分解,因此在抑制成核的同时,可以增强形成能力,这对金属玻璃的形成和制造特别有用。

The process of crystal nucleation can be accelerated or retarded by ultrasonic vibration, which is particularly attractive for the addictive manufacture and thermoplastic forming of metallic glasses, however, the effect and mechanism of oscillatory loading on the nucleation process are still elusive. By using molecular dynamics simulation, the changes in the time-temperature-transformation (TTT) curve under oscillatory external loading are systematically investigated in two typical binary alloys. A glass forming ability dependent response to the external loading is found, and the shortest incubation time is insensitive to the external loading, while the corresponding temperature can be significantly shifted. Within the framework of classical nucleation theory, a fitting formula is proposed to describe the simulation data quantitatively. In contrast to stationary shear, the elastic stress, rather than the strain rate, is the key parameter to control the evolution of TTT curve under oscillatory loading. Furthermore, the model shows that oscillatory loading can decouple the mobility and nucleation in the deeply supercooled liquid, hence the formation ability can be enhanced while the nucleation is suppressed, which is particularly helpful for the forming and manufacturing of metallic glasses.

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