Shape optimization of the caudal fin of the three-dimensional self-propelled swimming fish, to increase the swimming efficiency and the swimming speed and control the motion direction more easily, is investigated by combining optimization algorithms, unsteady computational fluid dynamics and dynamic control in this study. The 3D computational fluid dynamics package contains the immersed boundary method, volume of fluid method, the adaptive multi-grid finite volume method and the control strategy of fish swimming. Through shape optimizations of various swimming speeds, the results show that the optimal caudal fins of different swimming modes are not exactly the same shape. However, the optimal fish of high swimming speed, whose caudal fin shape is similar to the crescent, also have higher efficiency and better maneuverability than the other optimal bionic fish at low and moderate swimming speeds. Finally, the mechanisms of vorticity creation of different optimal bionic fish are studied by using boundary vorticity-flux theory, and three-dimensional wake structures of self-propelled swimming of these fish are comparatively analyzed. The study of vortex dynamics reveals the nature of efficient swimming of the 3D bionic fish with the lunate caudal fin.
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