The nature of the liquid–solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic thermodynamics, neglecting the atomistic nature of the liquid–solid interface. Here, experimental observations and molecular dynamics simulations are employed to identify the 3D nature of an atomic‐scale ordering of liquid Ga in contact with solid GaAs in a nanowire growth configuration. An interplay between the liquid ordering and the formation of a new bilayer is revealed, which, contrary to the established theories, suggests that the preference for a certain polarity and polytypism is influenced by the atomic structure of the interface. The conclusions of this work open new avenues for the understanding of crystal growth, as well as other processes and systems involving a liquid–solid interface.

中文翻译：

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纳米线的液固极性界面处的3D订购。

液固界面的性质决定了各种物理现象的特征，包括催化，电化学，润滑和晶体生长。大多数已建立的晶体生长模型都是基于宏观热力学，忽略了液-固界面的原子性质。在这里，实验观察和分子动力学模拟被用来确定纳米线生长结构中液体Ga与固体GaAs接触的原子尺度有序的3D性质。揭示了液体有序与新双层形成之间的相互作用，这与已建立的理论相反，表明对某种极性和多型性的偏好受界面原子结构的影响。