基于粒子的细胞血流建模和 GPU 加速模拟

IF 7.2 2区 物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Computer Physics Communications Pub Date : 2024-08-28 DOI:10.1016/j.cpc.2024.109350
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引用次数: 0

摘要

细胞血流的计算建模和仿真对于理解血液微循环和血液相关疾病(如血栓和肿瘤)来说非常必要,但这仍然是一项具有挑战性的任务,主要是因为微血管中的血液应被描述为不同类型可变形细胞的致密悬浮液。本研究的重点是开发一种基于粒子和 GPU 加速的数值方法,该方法能够快速模拟三维任意复杂几何形状中可变形细胞的各种行为。我们采用双流体模型来描述血流,其中包含细胞的变形和聚集。平滑耗散粒子动力学用于求解双流体模型,离散微结构模型用于细胞变形,莫尔斯势能模型用于细胞聚集。建立了异构 CPU-GPU 环境,其中每个 GPU 线程专用于一个粒子,CPU 主要负责加载和导出数据。针对纯流体、细胞变形、细胞聚集、细胞悬浮和复杂网络中的细胞流,分别用分析理论、实验数据和以前的数值结果进行了五个测试案例。结果表明,该方法可以准确预测细胞的各种行为,而且 GPU 非常适合基于粒子的建模。特别是对于细胞血流,计算细胞力是一项计算密集且耗时的任务,GPU 提供了卓越的并行能力,显著提高了模拟效率。对于纯流体,其速度比使用 96 个内核的 CPU 并行化快约 3.5 倍,当模拟中包含细胞时,这种加速度几乎达到 20 倍。特别是变形力和聚集力的计算速度大幅提高,与串行计算相比,分别提高了 120 倍和 640 倍。本方法能有效整合细胞的各种行为,在模拟器官层面的超大型微血管网络方面具有潜力。
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Particle-based modeling and GPU-accelerated simulation of cellular blood flow

Computational modeling and simulation of cellular blood flow is highly desired for understanding blood microcirculation and blood-related diseases such as thrombosis and tumor, but it remains a challenging task primarily because blood in microvessels should be described as a dense suspension of different types of deformable cells. The focus of the present work is on the development of a particle-based and GPU-accelerated numerical method that is able to quickly simulate the various behaviors of deformable cells in three-dimensional arbitrarily complex geometries. We employ a two-fluid model to describe blood flow, incorporating the deformation and aggregation of cells. A smoothed dissipative particle dynamics is used to solve the two-fluid model, and a discrete microstructure model is applied for the cell deformation, as well as a Morse potential model for the cell aggregation. The heterogeneous CPU-GPU environment is established, where each GPU thread is dedicated to a particle, and the CPU is mainly responsible for loading and exporting data. Five test cases are conducted against analytical theory, experimental data, and previous numerical results, for pure fluid, cell deformation, cell aggregation, cell suspension and the cellular flow in a complex network, respectively. It is shown that the methodology can accurately predict various behaviors of cells, and the GPU is well suited for particle-based modeling. Especially for cellular blood flow, where calculating cellular forces is a compute-intensive and time-consuming task, the GPU offers exceptional parallel capabilities, significantly enhancing the simulation efficiency. The speedup is about 3.5 times faster than the CPU parallelization with 96 cores for the pure fluid, and this acceleration nearly reaches 20 times when cells are included in the simulations. Particularly, the calculations for deformation and aggregation forces demonstrate a substantial speedup, achieving the improvements of up to 120 and 640 times, respectively, compared to their serial counterparts. The present methodology can effectively integrate various behaviors of cells, and has the potential in simulating very large microvascular networks at organ levels.

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来源期刊
Computer Physics Communications
Computer Physics Communications 物理-计算机:跨学科应用
CiteScore
12.10
自引率
3.20%
发文量
287
审稿时长
5.3 months
期刊介绍: The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.
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