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The superelasticity of NiTi shape memory alloy has been used in endodontics since the 1990s. To study the mechanical behavior of endodontic instruments, a traditional approach consists in experimental investigations. However, finite element analysis constitutes another way to assess their mechanical behavior and to facilitate their design. The main aim of this study is to compare experimental and numerical bending results on different structures (NiTi wire, spreader, and instruments) to estimate the reliability of the finite element simulations. These investigations were carried out as follows. Firstly, experimental material parameters identification was performed using NiTi wires. These parameters were implemented in an appropriate NiTi model. Bending was numerically applied to the meshed structures generated by the finite element method. Experimental tests were performed on real structures under bending, with exactly the same loading, in order to compare experimental and numerical results. These results were in good agreement for each of the considered structures. This enabled the validation of the simulation results and the use of simulations to design new endodontic instruments.