Schreck Carl F, O'Hern Corey S, Silbert Leonardo E
Department of Physics, Yale University, New Haven, Connecticut 06520-8120, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Jul;84(1 Pt 1):011305. doi: 10.1103/PhysRevE.84.011305. Epub 2011 Jul 27.
We perform extensive computational studies of two-dimensional static bidisperse disk packings using two distinct packing-generation protocols. The first involves thermally quenching equilibrated liquid configurations to zero temperature over a range of thermal quench rates r and initial packing fractions followed by compression and decompression in small steps to reach packing fractions φ(J) at jamming onset. For the second, we seed the system with initial configurations that promote micro- and macrophase-separated packings followed by compression and decompression to φ(J). Using these protocols, we generate more than 10(4) static packings over a wide range of packing fraction, contact number, and compositional and positional order. We find that disordered, isostatic packings exist over a finite range of packing fractions in the large-system limit. In agreement with previous calculations, the most dilute mechanically stable packings with φ min ≈ 0.84 are obtained for r > r*, where r* is the rate above which φ(J) is insensitive to rate. We further compare the structural and mechanical properties of isostatic versus hyperstatic packings. The structural characterizations include the contact number, several order parameters, and mixing ratios of the large and small particles. We find that the isostatic packings are positionally and compositionally disordered (with only small changes in a number of order parameters), whereas bond-orientational and compositional order increase strongly with contact number for hyperstatic packings. In addition, we calculate the static shear modulus and normal mode frequencies (in the harmonic approximation) of the static packings to understand the extent to which the mechanical properties of disordered, isostatic packings differ from partially ordered packings. We find that the mechanical properties of the packings change continuously as the contact number increases from isostatic to hyperstatic.
我们使用两种不同的堆积生成协议对二维静态双分散圆盘堆积进行了广泛的计算研究。第一种方法是在一系列热淬火速率(r)和初始堆积分数下,将平衡的液体构型热淬火至零温度,然后以小步长进行压缩和减压,以达到堵塞开始时的堆积分数(\varphi(J))。对于第二种方法,我们用促进微相和宏观相分离堆积的初始构型对系统进行播种,然后进行压缩和减压至(\varphi(J))。使用这些协议,我们在很宽的堆积分数、接触数以及组成和位置有序范围内生成了超过(10^4)个静态堆积。我们发现在大系统极限下,无序的等静堆积在有限的堆积分数范围内存在。与先前的计算一致,对于(r > r^),得到了最稀的机械稳定堆积,其(\varphi_{min} \approx 0.84),其中(r^)是高于该速率时(\varphi(J))对速率不敏感的速率。我们进一步比较了等静堆积和超静堆积的结构和力学性能。结构表征包括接触数、几个序参量以及大、小颗粒的混合比。我们发现等静堆积在位置和组成上是无序的(一些序参量只有小的变化),而对于超静堆积,键取向和组成有序度随接触数强烈增加。此外,我们计算了静态堆积的静态剪切模量和正常模式频率(在简谐近似下),以了解无序的等静堆积的力学性能与部分有序堆积的力学性能的差异程度。我们发现随着接触数从等静增加到超静,堆积的力学性能连续变化。