论文标题
用线性优化的镜头进行硬球塞
Hard-Sphere Jamming through the Lens of Linear Optimization
论文作者
论文摘要
干扰过渡无处不在。它存在于粒状物质,胶体,眼镜和许多其他系统中。但是,它定义了一个关键点,其属性仍然需要充分理解。当扩展复制品形式主义以建立平均场理论时,出现了一个重大突破,该理论提供了对无限维限制中球形颗粒的干扰过渡的确切描述。尽管这样的理论解释了软球和硬球的关键行为,但研究有限维系统中的过渡却带来了非常困难和不同的问题,尤其是从数值的角度来看。软颗粒是由连续电势建模的;因此,可以通过有效的能量最小化算法来达到它们的干扰点。相比之下,后者的方法不适用于硬球(HS)系统,因为粒子之间的相互作用能始终是构造的零。为了克服这些困难,在这里,我们将硬球的堵塞作为一个约束优化问题,并引入Calippso算法,能够轻松地产生卡住的HS包装而没有任何有效的潜力。该算法通过解决一系列线性优化问题,将任意维度的HS配置带入其干扰点。我们表明,堵塞填料的力平衡条件与Calippso的最佳溶液的特性之间存在严格的对应关系,从而在分析上证明我们的包装始终是等静态的,并且处于机械平衡状态。此外,使用广泛的数值模拟,我们表明我们的算法能够探测自由能景观的复杂结构,从而找到了具有平均场预测的定性一致性。我们还表征了Calippso的算法复杂性,并提供了它的开源实现。
The jamming transition is ubiquitous. It is present in granular matter, colloids, glasses, and many other systems. Yet, it defines a critical point whose properties still need to be fully understood. A major breakthrough came about when the replica formalism was extended to build a mean-field theory that provides an exact description of the jamming transition of spherical particles in the infinite-dimensional limit. While such theory explains the jamming critical behavior of both soft and hard spheres, investigating the transition in finite-dimensional systems poses very difficult and different problems, in particular from the numerical point of view. Soft particles are modeled by continuous potentials; thus, their jamming point can be reached through efficient energy minimization algorithms. In contrast, the latter methods are inapplicable to hard-sphere (HS) systems since the interaction energy among the particles is always zero by construction. To overcome these difficulties, here we recast the jamming of hard spheres as a constrained optimization problem and introduce the CALiPPSO algorithm, capable of readily producing jammed HS packings without including any effective potential. This algorithm brings a HS configuration of arbitrary dimensions to its jamming point by solving a chain of linear optimization problems. We show that there is a strict correspondence between the force balance conditions of jammed packings and the properties of the optimal solutions of CALiPPSO, whence we prove analytically that our packings are always isostatic and in mechanical equilibrium. Furthermore, using extensive numerical simulations, we show that our algorithm is able to probe the complex structure of the free-energy landscape, finding qualitative agreement with mean-field predictions. We also characterize the algorithmic complexity of CALiPPSO and provide an open-source implementation of it.