Light-driven self-organization of metal nanoparticles (NPs) can lead to unique optical matter systems, yet simulation of such self-organization (i.e., optical binding) is a complex computational problem that increases nonlinearly with system size. Here we show that a combined electrodynamics–molecular dynamics simulation technique can simulate the trajectories and predict stable configurations of silver NPs in optical fields. The simulated dynamic equilibrium of a two-NP system matches the probability density of oscillations for two optically bound NPs obtained experimentally. The predicted stable configurations for up to eight NPs are further compared to experimental observations of silver NP clusters formed by optical binding in a Bessel beam. All configurations are confirmed to form in real systems, including pentagonal clusters with five-fold symmetry. Our combined simulations and experiments have revealed a diverse optical matter system formed by anisotropic optical binding interactions, providing a new strategy to discover artificial materials.

中文翻译：

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金属纳米粒子在光中的自组织：电动力学-分子动力学模拟和光学结合实验

金属纳米粒子（NPs）的光驱动自组织可以导致独特的光学物质系统，但是这种自组织（即光学结合）的模拟是一个复杂的计算问题，随着系统规模的增加而非线性增加。在这里，我们证明了结合电动力学-分子动力学模拟技术可以模拟轨迹，并预测光场中银纳米颗粒的稳定构型。两NP系统的模拟动态平衡与实验获得的两个光学结合的NP的振荡概率密度相匹配。与通过贝塞尔光束中的光学结合形成的银NP簇的实验观察结果进一步比较了多达8个NP的预测稳定构型。确认所有配置都可以在实际系统中形成，包括具有五重对称性的五边形簇。我们的模拟和实验相结合，揭示了由各向异性光学结合相互作用形成的多样化光学物质系统，为发现人造材料提供了新的策略。