Use of Microcanonical Inflection Point Analysis for Understanding Phase Transitions in Polymer Simulation Results

Understanding phase transitions in polymer systems is fundamental for a myriad of applications, from materials science to biological systems. Traditional approaches, such as canonical analysis, offer limited insight into the intricate behavior of these complex systems. In this talk, I present my work employing Microcanonical Inflection Point Analysis—a method gaining traction in the field of computational statistical physics—as a powerful tool for investigating phase transitions in helical homopolymers. This study focuses on helical polymers with varied helical segment stiffness on phase transition order and energy. Specifically, I will discuss how this microcanonical analysis can be employed to explore transitions in semiflexible polymers. This methodology allows for more precise identification of phase transition energies and provides a consistent framework for describing structural transitions of various orders.