This study investigates the influence of LDHs (Layered Double Hydroxides) microparticles and steel fibers on the mechanical properties of lightweight concrete. Through a combination of experimental analysis and finite element modeling, the effects of LDHs and steel fibers on flexural strength and crack resistance were evaluated. The experimental results demonstrate a significant increase in flexural strength and toughness with the incorporation of LDHs microparticles and steel fibers. The finite element model corroborates these findings, highlighting the synergistic enhancement of mechanical properties due to LDHs and steel fibers. Additionally, the study discusses the frontier applications of LDHs in improving fracture characteristics and highlights the potential of hybrid reinforcement strategies in lightweight concrete. The findings reveal that both the quantity of microparticles and steel fibers significantly impact the concrete's residual strength. In scenarios without steel fibers, an optimal weight fraction of approximately 1 wt.% LDHs demonstrate a 39% increase in bearing capacity. Notably, under comparable conditions, the influence of LDHs microparticles on enhancing concrete mechanical characteristics appears to surpass the effects induced by steel fibers. However, at 2 wt.% LDHs usage, a decrease in load capacity by 3.3% is observed compared to the 1 wt.% LDHs configuration. This research provides valuable insights into optimizing concrete properties through novel material combinations and paves the way for future advancements in structural engineering.