隐形超均匀势的基态：I.熵有利构型
Ground states of stealthy hyperuniform potentials: I. Entropically favored configurations
摘要：
与“隐形”对势相互作用的粒子系统具有无限简并无序超均匀经典基态，并具有新的物理性质。以前尝试采样的无限简并基态使用能量最小化技术，引入算法的依赖性，这是人为的。最近，隐形超均匀基态的系综理论制定的预测结构和热力学，被证明是在良好的协议与相应的计算机模拟结果在正则系综（在零温度极限）。在本文中，我们提供了模拟过程的详细信息和理由，其中包括在足够低的温度下进行分子动力学模拟，并最大限度地减少高密度无序状态（理论适用）以及低密度的快照能量。我们还使用数值模拟来扩展我们的研究，以较低的密度制度。我们报告的结果对关联函数，结构因素，和Voronoi细胞统计。在高密度区，我们验证了理论分析，即隐形无序基态在傅立叶空间表现为“伪”无序平衡硬球系统。这些结果表明，随着密度从高密度极限降低，无序的基态在正则系综的特征在于增加的程度的短程有序，并最终系统经历相变到结晶基态。我们还提供了数值证据表明，不同形式的隐形对潜力产生相同的基态合奏在零温度极限。我们的技术可以应用于采样的其他潜在的高度简并基态的正则系综的限制。
英文摘要：
Systems of particles interacting with "stealthy" pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely degenerate ground states used energy minimization techniques, introducing algorithmic dependence that is artificial in nature. Recently, an ensemble theory of stealthy hyperuniform ground states was formulated to predict the structure and thermodynamics that was shown to be in excellent agreement with corresponding computer simulation results in the canonical ensemble (in the zero-temperature limit). In this paper, we provide details and justifications of the simulation procedure, which involves performing molecular dynamics simulations at sufficiently low temperatures and minimizing the energy of the snapshots for both the high-density disordered regime, where the theory applies, as well as lower densities. We also use numerical simulations to extend our study to the lower-density regime. We report results for the pair correlation functions, structure factors, and Voronoi cell statistics. In the high-density regime, we verify the theoretical ansatz that stealthy disordered ground states behave like "pseudo" disordered equilibrium hard-sphere systems in Fourier space. These results show that as the density decreases from the high-density limit, the disordered ground states in the canonical ensemble are characterized by an increasing degree of short-range order and eventually the system undergoes a phase transition to crystalline ground states. We also provide numerical evidence suggesting that different forms of stealthy pair potentials produce the same ground-state ensemble in the zero-temperature limit. Our techniques may be applied to sample this limit of the canonical ensemble of other potentials with highly degenerate ground states.
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