The depth of fertilizer application significantly influences soil nitrate concentration (SNC), sunflower root length density (RLD), sunflower nitrogen uptake (SNU), and yield. However, current studies cannot precisely capture subtle nutrient variations between soil layers and their complex relationships with root growth. They also struggle to assess the impact of different fertilizer application depths on sunflower root development and distribution as well as their response to the spatial and temporal distribution of nutrients. The Agricultural Production Systems sIMulator (APSIM) model was employed to explore the spatial and temporal patterns of nitrogen distribution in the soil at three controlled-release fertilizer (CRF) placement depths: 5, 15, and 25 cm. This study investigated the characteristics of the root system regarding nitrogen absorption and utilization and analyzed their correlation with sunflower yield formation. Furthermore, this study introduced the modified Jaccard index (considering the compatibility between soil nitrate and root length density) to analyze soil-root interactions, providing a deeper insight into how changes in CRF placement depth affect crop growth and nitrogen uptake efficiency. The results indicated that a fertilization depth of 15 cm improved the modified Jaccard index by 6.60% and 7.34% compared to 5 cm and 25 cm depths, respectively, maximizing sunflower yield (an increase of 9.44%) and nitrogen absorption rate (an increase of 5.40%). This depth promoted a greater Root Length Density (RLD), with an increases of 11.95% and 16.42% compared those at 5 cm and 25 cm, respectively, enhancing deeper root growth and improving nitrogen uptake. In contrast, shallow fertilization led to higher nitrate concentrations in the topsoil, whereas deeper fertilization increased the nitrate concentrations in the deeper soil layers. These results provide valuable insights for precision agriculture and sustainable soil management, highlighting the importance of optimizing root nitrogen absorption through tailored fertilization strategies to enhance crop production efficiency and minimize environmental impact.