Crystallization in Sedimentation Profiles of Hard Spheres
Crystallization in Sedimentation Profiles of Hard Spheres
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硬球沉积剖面中的结晶
DOI：
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发表时间：
1994
期刊：
影响因子：
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通讯作者：
H. Löwen
中科院分区：
文献类型：
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作者：
T. Biben;R. Ohnesorge;H. Löwen
用蒙特卡罗模拟方法计算了硬球悬浮体在重力场中的平衡密度分布。随着重力的增加，容器壁会引起不连续的冷冻转变，其中样品底部自发形成很少的结晶层。当重力场进一步增强时，这个水晶部分会持续增长。结果进行了比较与密度泛函理论的冻结加权密度近似。虽然实现了良好的横向平均分布和横向结晶度的整体协议，密度泛函理论产生通过分层过渡的不连续的晶体生长。
Equilibrium density profiles of a hard-sphere suspension in a gravitational field are calculated using Monte Carlo simulations. For increasing gravity there is a discontinuous freezing transition induced by the container wall where few crystalline layers are spontaneously formed at the bottom of the sample. This crystalline part then grows continuously as the gravitational field is further enhanced. The results are compared with density functional theory of freezing where a weighted density approximation is used. While good overall agreement of the laterally averaged profile and the lateral crystallinity is achieved, density functional theory yields a discontinuous crystal growth via layering transitions.