论文标题
在具有较大尺寸比率的玻璃形成二进制混合物的扩散动力学中的有限尺寸效果
Finite-size effects in the diffusion dynamics of a glass-forming binary mixture with large size ratio
论文作者
论文摘要
提出了具有较大尺寸比例的等摩尔玻璃形成AB混合物的广泛分子动力学（MD）计算机模拟。虽然大的A颗粒显示围绕模式耦合理论的临界密度$ρ_C$的玻璃过渡，但小B颗粒保持流动性，其自我扩散系数$ d _ {\ rm B} $的相对较弱，密度增加。令人惊讶的是，大约$ρ_c$，A粒子的自扩散系数，$ d _ {\ rm a} $，也开始遵循对密度的相当弱的依赖性。我们表明，这是由于有限尺寸的效应，可以从对集体互化动力学的分析中理解。
Extensive molecular dynamics (MD) computer simulations of an equimolar glass-forming AB mixture with large size ratio are presented. While the large A particles show a glass transition around the critical density of mode coupling theory $ρ_c$, the small B particles remain mobile with a relatively weak decrease of their self diffusion coefficient $D_{\rm B}$ with increasing density. Surprisingly, around $ρ_c$, the self-diffusion coefficient of the A particles, $D_{\rm A}$, also starts to follow a rather weak dependence on density. We show that this is due to finite-size effects that can be understood from the analysis of the collective interdiffusion dynamics.
