TY - JOUR
T1 - Phase transition of a chiral molecular model over the complete graph
AU - Cerda-Hernández, José
AU - Sikov, Anna
AU - Ramos, Alberto
AU - Cruz-Simbrón, Rómulo
N1 - Publisher Copyright:
© 2025 Author(s).
PY - 2025/6/28
Y1 - 2025/6/28
N2 - This paper presents a mean-field approximation of the two-dimensional lattice chiral molecular model introduced by Lombardo et al., Proc. Natl. Acad. Sci. U. S. A. 106(36), 15131-15135 (2009) and simplified by Cruz-Simbron et al., J. Chem. Phys. 160, 084502 (2024), obtained by defining a chiral system over a complete graph. Using thermodynamic formalism, we derive a closed-form expression for the free energy of the system fβ; we establish its analyticity for all β > 0 and its convexity over an interval depending on the Hamiltonian of the system. Our findings confirm the existence of first- and second-order phase transitions within this mean-field framework, confirming the first-order phase transition previously proposed by Lombardo et al., Proc. Natl. Acad. Sci. U. S. A. 106(36), 15131-15135 (2009) in the mean-field approximation. Furthermore, we construct a comprehensive phase diagram for the proposed model, providing a deeper understanding of its thermodynamic behavior.
AB - This paper presents a mean-field approximation of the two-dimensional lattice chiral molecular model introduced by Lombardo et al., Proc. Natl. Acad. Sci. U. S. A. 106(36), 15131-15135 (2009) and simplified by Cruz-Simbron et al., J. Chem. Phys. 160, 084502 (2024), obtained by defining a chiral system over a complete graph. Using thermodynamic formalism, we derive a closed-form expression for the free energy of the system fβ; we establish its analyticity for all β > 0 and its convexity over an interval depending on the Hamiltonian of the system. Our findings confirm the existence of first- and second-order phase transitions within this mean-field framework, confirming the first-order phase transition previously proposed by Lombardo et al., Proc. Natl. Acad. Sci. U. S. A. 106(36), 15131-15135 (2009) in the mean-field approximation. Furthermore, we construct a comprehensive phase diagram for the proposed model, providing a deeper understanding of its thermodynamic behavior.
UR - http://www.scopus.com/inward/record.url?scp=105009255272&partnerID=8YFLogxK
U2 - 10.1063/5.0264221
DO - 10.1063/5.0264221
M3 - Article
AN - SCOPUS:105009255272
SN - 0021-9606
VL - 162
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 24
M1 - 244109
ER -