Influence of Structural Configurations, Boundary Conditions, and Atomic Number on the Curie Transition Temperature of Bulk Cobalt: A Monte Carlo Simulation Study

This study investigates the impact of structural configurations, boundary conditions, and atomic number on the Curie transition temperature ([Formula: see text] of bulk cobalt (Co) utilizing Monte Carlo simulations. The analysis reveals that the Curie temperature increases as the structure transitions from a simple cubic (SC) to a body-centered cubic (BCC), hexagonal close-packed (HCP), and face-centered cubic (FCC) configuration. The SC structure, exhibiting the lowest [Formula: see text], serves as the reference for evaluating these influencing factors. The study also demonstrates that nonperiodic boundary conditions yield the lowest [Formula: see text] compared to periodic ones. Additionally, an increase in the number of atoms from 4000 to 108,000 under nonperiodic boundary conditions correlates with an increase in [Formula: see text]. These findings are consistent with experimental data and provide a foundational basis for researchers involved in the synthesis and application of bulk Co in devices, biomedical applications at room temperature, and emerging technologies.