Maher Charles Emmett, Jiao Yang, Torquato Salvatore
Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.
Materials Science and Engineering, Arizona State University, Tempe, Arizona 85287, USA.
Phys Rev E. 2023 Dec;108(6-1):064602. doi: 10.1103/PhysRevE.108.064602.
The maximally random jammed (MRJ) state is the most random (i.e., disordered) configuration of strictly jammed (mechanically rigid) nonoverlapping objects. MRJ packings are hyperuniform, meaning their long-wavelength density fluctuations are anomalously suppressed compared to typical disordered systems, i.e., their structure factors S(k) tend to zero as the wave number |k| tends to zero. Here we show that generating high-quality strictly jammed states for Euclidean space dimensions d=3,4, and 5 is of paramount importance in ensuring hyperuniformity and extracting precise values of the hyperuniformity exponent α>0 for MRJ states, defined by the power-law behavior of S(k)∼|k|^{α} in the limit |k|→0. Moreover, we show that for fixed d it is more difficult to ensure jamming as the particle number N increases, which results in packings that are nonhyperuniform. Free-volume theory arguments suggest that the ideal MRJ state does not contain rattlers, which act as defects in numerically generated packings. As d increases, we find that the fraction of rattlers decreases substantially. Our analysis of the largest truly jammed packings suggests that the ideal MRJ packings for all dimensions d≥3 are hyperuniform with α=d-2, implying the packings become more hyperuniform as d increases. The differences in α between MRJ packings and the recently proposed Manna-class random close packed (RCP) states, which were reported to have α=0.25 in d=3 and be nonhyperuniform (α=0) for d=4 and d=5, demonstrate the vivid distinctions between the large-scale structure of RCP and MRJ states in these dimensions. Our paper clarifies the importance of the link between true jamming and hyperuniformity and motivates the development of an algorithm to produce rattler-free three-dimensional MRJ packings.
最大随机堵塞(MRJ)状态是严格堵塞(机械刚性)的非重叠物体的最随机(即无序)构型。MRJ堆积是超均匀的,这意味着与典型的无序系统相比,它们的长波密度涨落被异常抑制,即当波数|k|趋于零时,它们的结构因子S(k)趋于零。在这里我们表明,对于欧几里得空间维度d = 3、4和5生成高质量的严格堵塞状态对于确保超均匀性以及提取MRJ状态的超均匀性指数α>0的精确值至关重要,该指数由S(k)∼|k|^α在|k|→0极限下的幂律行为定义。此外,我们表明对于固定的d,随着粒子数N的增加,确保堵塞变得更加困难,这导致堆积是非超均匀的。自由体积理论认为理想的MRJ状态不包含摇移体,摇移体在数值生成的堆积中充当缺陷。随着d的增加,我们发现摇移体的比例大幅下降。我们对最大的真正堵塞堆积的分析表明,对于所有d≥3的维度,理想的MRJ堆积是超均匀的,α = d - 2,这意味着随着d的增加,堆积变得更加超均匀。MRJ堆积与最近提出的曼纳类随机密堆积(RCP)状态之间α的差异表明,在这些维度中RCP和MRJ状态的大规模结构存在明显区别,据报道,RCP状态在d = 3时α = 0.25,在d = 4和d = 5时是非超均匀的(α = 0)。我们的论文阐明了真正堵塞与超均匀性之间联系的重要性,并推动了一种生成无摇移体的三维MRJ堆积算法的开发。