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A high-energy liquid-jet hammer with specially designed backward stroke end buffer structure was investigated computationally. Computational Fluid Dynamics (CFD) with the technique of dynamic and sliding meshes method was employed in this study. Results indicated that each of the geometric parameter of the buffer structure had a significant effect on the backward impacting energy of the impact body and brought a maximum of 49.8 % of backward impacting energy reduction. Experimental tests based on the non-contact measuring method were conducted to verify the simulation results, by which the accuracy and reliability of this CFD simulation method was proved. In addition, the high-energy liquid-jet hammer worked well with the optimal parameters of the buffer structure in bench testing and reached high penetration rate in a drilled borehole.