Liu Zijun
Hebei Petroleum University of Technology, Xueyuan Road, Chengde, 067000, Hebei, People's Republic of China.
Sci Rep. 2025 Feb 1;15(1):3975. doi: 10.1038/s41598-024-83582-2.
Compared with the remarkable achievements of computer-aided drug discovery systems for drug discovery, the role of computational fluid dynamics (CFD) in flow channel design requires further development. While CFD has undergone rapid evolution, the absence of integrated geometry and mesh processing hinders the potential development of advanced applications of this technology. To overcome this limitation, in this paper, the JIACFD toolset is presented, and a fully automated CFD simulation system is established. The simulation system is also constructed on a design scheme tree, which is more in accordance with engineering logic. The control parameter trend analysis method is introduced to select appropriate candidates from the design scheme tree. Additionally, the control parameter trend assumption, which is proven via the Spearman method, is proposed to improve the efficiency of the system. During the verification process for the study case, two independent control parameters exhibit correlating trends, and one control parameter converges when the number of meshes increases, indicating a lack of trend sensitivity. The design scheme tree and trend curve are subsequently utilized to effectively analyze the flow field characteristics of different schemes. Finally, the control parameter trend analysis method is employed to rank the design scheme tree and verify that the ranking of candidates is not dependent on the number of meshes. This paper investigates and verifies the presented system, method, and assumption and explores the possibility of an established system playing a more critical role in performance design work.
与计算机辅助药物发现系统在药物发现方面取得的显著成就相比,计算流体动力学(CFD)在流道设计中的作用有待进一步发展。虽然CFD已经经历了快速发展,但缺乏集成的几何形状和网格处理阻碍了该技术高级应用的潜在发展。为了克服这一限制,本文提出了JIACFD工具集,并建立了一个全自动的CFD模拟系统。该模拟系统也是基于设计方案树构建的,更符合工程逻辑。引入了控制参数趋势分析方法,从设计方案树中选择合适的候选方案。此外,还提出了通过Spearman方法验证的控制参数趋势假设,以提高系统效率。在对研究案例的验证过程中,两个独立的控制参数呈现出相关趋势,并且当网格数量增加时,一个控制参数收敛,这表明缺乏趋势敏感性。随后利用设计方案树和趋势曲线有效地分析了不同方案的流场特性。最后,采用控制参数趋势分析方法对设计方案树进行排序,并验证候选方案的排序不依赖于网格数量。本文对所提出的系统、方法和假设进行了研究和验证,并探讨了所建立的系统在性能设计工作中发挥更关键作用的可能性。