二元固体远离平衡态生长结果的预测
Predicting the outcome of the growth of binary solids far from equilibrium
摘要：
在模拟和实验中，多组分结构的生长经常导致动力学捕获的非平衡物体。在这种情况下，我们没有一般的理论框架来预测增长过程的结果。在这里，我们使用计算机模拟来研究一个简单的晶格模型内的两个组件的结构的增长。我们发现，动力学捕获发生的生长速率和组件间的相互作用能的许多选择，并定性不同种类的动力学捕获被发现在不同的区域的参数空间。在一个区域中，低能量的结构是一个“反铁磁体”或“棋盘”，我们表明，生长的非平衡结构显示一个组件类型的化学计量，是不同的平衡，但不敏感的增长速度和解决方案的条件。这种强大的非平衡化学计量可以通过映射到弗洛里研究的二聚体的堵塞随机平铺来预测，这一发现表明了一种在实验中确定非平衡结构的方法。
英文摘要：
The growth of multicomponent structures in simulations and experiments often results in kinetically trapped, nonequilibrium objects. In such cases we have no general theoretical framework for predicting the outcome of the growth process. Here we use computer simulations to study the growth of two-component structures within a simple lattice model. We show that kinetic trapping happens for many choices of growth rate and inter-component interaction energies, and that qualitatively distinct kinds of kinetic trapping are found in different regions of parameter space. In a region in which the low-energy structure is an `antiferromagnet' or `checkerboard', we show that the grown nonequilibrium structure displays a component-type stoichiometry that is different to the equilibrium one but is insensitive to growth rate and solution conditions. This robust nonequilibrium stoichiometry can be predicted via a mapping to the jammed random tiling of dimers studied by Flory, a finding that suggests a way of making defined nonequilibrium structures in experiment.
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