论文标题
对金属玻璃膜中空间不均匀动态的限制影响
Confinement effects on the spatially inhomogeneous dynamics in metallic glass films
论文作者
论文摘要
我们开发了弹性的集体非线性兰格文文理论,以首次研究封顶的金属玻璃薄膜中的玻璃动力学。在不同温度和玻璃化标准下计算结构弛豫时间和玻璃过渡温度(TG)的空间梯度的有限尺寸影响。分子动力学在粗糙的固体表面附近显着减慢,远离界面的位置动力学被加速。在厚膜中,由于两个表面之间的干扰效应较弱,因此由散装值归一化的迁移率符合双指数形式。减少膜的厚度可诱导两个表面之间的强大动态耦合,并使松弛梯度变平。玻璃过渡温度的归一化梯度与玻璃化时间尺度无关,并且可以通过叠加函数拟合,因为膜不是超薄。发现局部脆弱性与位置保持不变。这一发现表明,人们可以使用散装松弛时间的安格尔图和TG空间梯度来表征金属玻璃膜中的玻璃动力学。我们的计算结果与实验数据和仿真非常吻合。
We develop the Elastically Collective Nonlinear Langevin Equation theory to investigate, for the first time, glassy dynamics in capped metallic glass thin films. Finite-size effects on the spatial gradient of structural relaxation time and glass transition temperature (Tg) are calculated at different temperatures and vitrification criteria. Molecular dynamics is significantly slowed down near rough solid surfaces and the dynamics at location far from the interfaces is sped up. In thick films, the mobility gradient normalized by the bulk value well obeys the double-exponential form since interference effects between two surfaces are weak. Reducing the film thickness induces a strong dynamic coupling between two surfaces and flattens the relaxation gradient. The normalized gradient of the glass transition temperature is independent of vitrification timescale criterion and can be fitted by a superposition function as the films are not ultra-thin. The local fragility is found to remain unchanged with location. This finding suggests that one can use Angell plots of bulk relaxation time and the Tg spatial gradient to characterize glassy dynamics in metallic glass films. Our computational results agree well with experimental data and simulation.