J-L-Andrew / HS_system

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The mechanical properties of monodisperse hard-sphere system

Simulation details

Hard-sphere packing generation with the Lubachevsky–Stillinger (LS) algorithm. We set N=500, and change the expansion rate of particles to obtain many packing samples. 每个压缩率下算300个样本 可以参照https://pubs.rsc.org/en/content/articlepdf/2014/sm/c3sm52959b来写

面临的问题:0.7以上少,考虑引入defect?

另:对rattler问题要有交代,至少是collectively jammed。

Although these packings are obtained under differ�ent conditions, structural analysis suggests that these samples are consistent with each other for a given ρ ------ On the relationships between structural properties and packing density of uniform spheres

Nevertheless, the LS compression protocol is an excellent tool to approach the jamming point: Besides being fast, it has been amply verified that it closely reproduces the (phenomenological) equation of state ------ Hard-sphere jamming through the lens of linear optimization

DEM涉及到软球; 体积模量(B)关注的比较少,可以直接算出来 软球 lammps去掉friction 或LS生成初始结构,压缩使得所有颗粒重叠,再能量最小化

思路:压强与order双向增加PD, bcc用pathy model,到Corey主页搜K. Zhang,

Q6

0cc3bed9e61d25023982eb57a587083

RDF

40b13aad2ffa5c9df6ed0f1b44ee70c Mechanical Characterization of Partially Crystallized Sphere Packings附件里有提到新的RDF计算方法

Ovito analysis

2a7e1b28df17fb83e17719d53084c0b b24c3b8029da86689646918e2b9be96

voronoi分析

a7b120b85bdb3dcbb41ea7dbcb013af bc8960eb945c11d925d1a326efd5c3e

配位数

Mechanical Characterization of Partially Crystallized Sphere Packings里的Zg和Zm

a0f03b613fbd8b4820080777d848b89

a0a3f9f1ff6c3e5097ab1ae8a61c912

e178cd3aa6cc81ffa18270e6e79c31d

10d1c26f77c907f9185fdb5b6ebbd27

fdf5a6e9f9cf44c92598f523eb6ac87

Zg的计算: b5706419ee24e9a3f0c42807afc1f97

力链分析

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剪切

fe81aa33c23a5688c101881c1c0c1fa

15c9707fa4a2f9c4df93d991839599e

62e8233b54157d0062a20e6d220ad74 这里的本构和dem怎么建模,可以参考Mechanical Characterization of Partially Crystallized Sphere Packings。

其他可借鉴

8e4010017f74ef68be5956d7e7b38c6 402ac9d034ec1138b59a4e90b18704a 有篇名为structural and mechanical characteristics of sphere packings near the jamming trainsition值得看一下。

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