二维多粒子系统中软长程相互作用的内在结构
Inherent Structures for Soft Long-Range Interactions in Two-Dimensional Many-Particle Systems
摘要：
我们生成的固有结构，局部势能极小值，“$k$ -空间重叠势”在二维多粒子系统中使用冷却和淬火模拟技术。与$k$ -空间重叠电势相关联的基态是隐形的（{ \it，即，}完全抑制辐射在一定波长范围内的单次散射）和超均匀（{ \it即，}无限波长密度波动消失）。然而，我们通过定量指标表明，固有的结构表现出一系列的隐形性和超均匀性取决于受约束的自由度的分数。二维的固有结构通常包含五粒子环、波状晶界和空位间隙缺陷。固有结构的结构和热力学性质对它们被采样的温度相对不敏感，这意味着能量景观相对平坦，没有深井。使用轻推弹性带算法，我们构建从基态配置的固有结构的路径，并确定它们之间的过渡点。此外，我们使用的点模式产生的随机顺序添加（RSA）的硬盘，这是近隐形，并检查粒子重排所需的配置绝对隐形。我们引入了一个配置接近度，以表明只有小的本地，但集体，粒子重排需要驱动初始RSA配置隐形无序基态。这些结果导致一个更完整的理解所表现出的不寻常的行为的家庭的“集体协调”的潜力的$k$空间重叠潜力属于。
英文摘要：
We generate inherent structures, local potential-energy minima, of the "$k$-space overlap potential" in two-dimensional many-particle systems using a cooling and quenching simulation technique. The ground states associated with the $k$-space overlap potential are stealthy ({\it i.e.,} completely suppress single scattering of radiation for a range of wavelengths) and hyperuniform ({\it i.e.,} infinite wavelength density fluctuations vanish). However, we show via quantitative metrics that the inherent structures exhibit a range of stealthiness and hyperuniformity depending on the fraction of degrees of freedom that are constrained. Inherent structures in two dimensions typically contain five-particle rings, wavy grain boundaries, and vacancy-interstitial defects. The structural and thermodynamic properties of inherent structures are relatively insensitive to the temperature from which they are sampled, signifying that the energy landscape is relatively flat and devoid of deep wells. Using the nudged-elastic-band algorithm, we construct paths from ground-state configurations to inherent structures and identify the transition points between them. In addition, we use point patterns generated from a random sequential addition (RSA) of hard disks, which are nearly stealthy, and examine the particle rearrangements necessary to make the configurations absolutely stealthy. We introduce a configurational proximity metric to show that only small local, but collective, particle rearrangements are needed to drive initial RSA configurations to stealthy disordered ground states. These results lead to a more complete understanding of the unusual behaviors exhibited by the family of "collective-coordinate" potentials to which the $k$-space overlap potential belongs.
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