State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China.
Soft Matter. 2018 Sep 26;14(37):7625-7633. doi: 10.1039/c8sm01631c.
We present a general patchy ellipsoidal particle model suitable for conducting dynamics simulations of the aggregation behaviors of various shape- and/or surface-anisotropic colloids, especially patchy ellipsoids with continuously variable shape and tunable patchiness. To achieve higher computational efficiency in dynamics simulations, we employ a multi-GPU acceleration technique based on a domain decomposition algorithm. The validation and performance evaluation of this GPU-assisted model are performed by simulating several typical benchmark systems of non-patchy and patchy ellipsoids. Given the generality and efficiency of our GPU-assisted patchy ellipsoidal particle model, it will provide a highly feasible dynamics simulation framework to investigate the aggregation behaviors of anisotropic soft matter systems comprised of shape- and/or surface-anisotropic building blocks.
我们提出了一种通用的有斑块的椭球粒子模型，适用于各种形状和/或表面各向异性胶体的聚集行为的动力学模拟，特别是具有连续可变量形状和可调斑块的有斑块椭球。为了在动力学模拟中实现更高的计算效率，我们采用了基于域分解算法的多 GPU 加速技术。通过模拟几个典型的无斑块和有斑块椭球基准系统，对该 GPU 辅助模型进行了验证和性能评估。鉴于我们的 GPU 辅助有斑块椭球粒子模型的通用性和效率，它将为研究由形状和/或表面各向异性构建块组成的各向异性软物质系统的聚集行为提供一个高度可行的动力学模拟框架。
