Ni Ran, Cohen Stuart Martien A, Dijkstra Marjolein, Bolhuis Peter G
Van 't Hoff Institute for Molecular Sciences, Universiteit van Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands.
Soft Matter. 2014 Sep 21;10(35):6609-13. doi: 10.1039/c4sm01015a.
Crystallization and vitrification are two different routes to form a solid. Normally these two processes suppress each other, with the glass transition preventing crystallization at high density (or low temperature). This is even true for systems of colloidal hard spheres, which are commonly used as building blocks for novel functional materials with potential applications, e.g. photonic crystals. By performing Brownian dynamics simulations of glassy systems consisting of mixtures of active and passive hard spheres, we show that the crystallization of such hard-sphere glasses can be dramatically promoted by doping the system with small amounts of active particles. Surprisingly, even hard-sphere glasses of packing fraction up to ϕ = 0.635 crystallize, which is around 0.5% below the random close packing at ϕ ≃ 0.64. Our results suggest a novel way of fabricating crystalline materials from (colloidal) glasses. This is particularly important for materials that get easily kinetically trapped in glassy states, and the crystal nucleation hardly occurs.
结晶和玻璃化是形成固体的两种不同途径。通常这两个过程相互抑制,玻璃化转变在高密度(或低温)下阻止结晶。对于胶体硬球体系也是如此,胶体硬球通常用作具有潜在应用的新型功能材料(如光子晶体)的构建单元。通过对由活性和非活性硬球混合物组成的玻璃态体系进行布朗动力学模拟,我们表明,通过向体系中掺杂少量活性粒子,可以显著促进这种硬球玻璃的结晶。令人惊讶的是,即使堆积分数高达ϕ = 0.635的硬球玻璃也会结晶,这比ϕ ≃ 0.64时的随机密堆积低约0.5%。我们的结果提出了一种从(胶体)玻璃制备晶体材料的新方法。这对于容易在玻璃态中动力学受阻且几乎不发生晶体成核的材料尤为重要。