This study explores the importance of simulations conducted with MCNP5 and the modifications implemented in 316 steel to optimize energy efficiency in nuclear power production. Molybdenum (Mo) is investigated as a promising additive due to its low absorption cross-section for thermal neutrons, which enhances neutron participation in fission and heat generation. Using the MCNP5 code, simulations were performed to analyze a hypothetical UO2 fuel element with different enrichment zones to evaluate its performance[1-3]. The results indicate that incorporating molybdenum into the fuel cladding alloy significantly impacts neutron production, suggesting that this addition might affect energy generation efficiency. In summary, this study highlights the potential of molybdenum as an additive to improve nuclear fuel performance[4-8], promoting safer, more efficient, and sustainable nuclear energy. The comparison of the results from the two simulations allowed for the assessment of the impact of molybdenum inclusion on the criticality of the simulated fuel. Conversely, if the inclusion of molybdenum does not positively influence or even reduce the fuel's criticality, this suggests that such a strategy is not viable for optimizing nuclear fuel performance. Therefore, the results of this analysis have significant implications for the development of more efficient and environmentally sustainable nuclear fuels. The effective multiplication factor (keff) obtained for the clad rod under study was keff=1.12086 ± 0.00064, while the reference value without doping was keff=1.04355 ± 0.00076, resulting in a relative percentage deviation of approximately 6.897%. Doping 316 steel with molybdenum nanoparticles presented a significant alteration in neutron production, suggesting that this addition may compromise energy generation efficiency.