Marcotte Étienne, Torquato Salvatore
Department of Physics, Princeton University, Princeton, New Jersey 08544, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Jun;87(6):063303. doi: 10.1103/PhysRevE.87.063303. Epub 2013 Jun 7.
Finding the densest sphere packing in d-dimensional Euclidean space R(d) is an outstanding fundamental problem with relevance in many fields, including the ground states of molecular systems, colloidal crystal structures, coding theory, discrete geometry, number theory, and biological systems. Numerically generating the densest sphere packings becomes very challenging in high dimensions due to an exponentially increasing number of possible sphere contacts and sphere configurations, even for the restricted problem of finding the densest lattice sphere packings. In this paper we apply the Torquato-Jiao packing algorithm, which is a method based on solving a sequence of linear programs, to robustly reproduce the densest known lattice sphere packings for dimensions 2 through 19. We show that the TJ algorithm is appreciably more efficient at solving these problems than previously published methods. Indeed, in some dimensions, the former procedure can be as much as three orders of magnitude faster at finding the optimal solutions than earlier ones. We also study the suboptimal local density-maxima solutions (inherent structures or "extreme" lattices) to gain insight about the nature of the topography of the "density" landscape.
在d维欧几里得空间R(d)中找到最密集的球体堆积是一个重要的基础问题,在许多领域都有相关性,包括分子系统的基态、胶体晶体结构、编码理论、离散几何、数论和生物系统。由于可能的球体接触和球体构型数量呈指数级增长,即使对于寻找最密集晶格球体堆积这一受限问题,在高维中通过数值方法生成最密集的球体堆积也变得极具挑战性。在本文中,我们应用Torquato-Jiao堆积算法,这是一种基于求解一系列线性规划的方法,以稳健地重现2至19维中已知的最密集晶格球体堆积。我们表明,TJ算法在解决这些问题时比先前发表的方法明显更高效。实际上,在某些维度上,与早期方法相比,前者在找到最优解时的速度可能快多达三个数量级。我们还研究了次优的局部密度极大值解(固有结构或“极端”晶格),以深入了解“密度”景观地形的本质。