INVESTIGADORES
RAMIREZ PASTOR Antonio Jose
artículos
Título:
Critical behavior of repulsive linear k-mers on square lattices at half coverage: Theory and Monte Carlo simulations.
Autor/es:
F. ROMÁ; A. J. RAMIREZ-PASTOR; J. L. RICCARDO
Revista:
PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS
Referencias:
Año: 2003 vol. 68 p. 205407 - 205415
ISSN:
0163-1829
Resumen:
Monte Carlo ~MC! simulations have been used to study the critical behavior of repulsive linear k-mers on
square lattices at 50% coverage. A (2k32) ordered phase, characterized by a repetition of alternating files of
adsorbed k-mers separated by k adjacent empty sites, was found. This ordered phase is separated from the
disordered state by a order-disorder phase transition occurring at a critical temperature Tc , which presents an
intriguing dependence with the size k of the adsorbed molecules. In addition, two analytical techniques were
combined with Monte Carlo simulations to predict the critical temperature of the order-disorder transformation.
The first is based on a detailed mean-field approximation ~DMFA!, considering the exact interactions between
the k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.~MC! simulations have been used to study the critical behavior of repulsive linear k-mers on
square lattices at 50% coverage. A (2k32) ordered phase, characterized by a repetition of alternating files of
adsorbed k-mers separated by k adjacent empty sites, was found. This ordered phase is separated from the
disordered state by a order-disorder phase transition occurring at a critical temperature Tc , which presents an
intriguing dependence with the size k of the adsorbed molecules. In addition, two analytical techniques were
combined with Monte Carlo simulations to predict the critical temperature of the order-disorder transformation.
The first is based on a detailed mean-field approximation ~DMFA!, considering the exact interactions between
the k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.k32) ordered phase, characterized by a repetition of alternating files of
adsorbed k-mers separated by k adjacent empty sites, was found. This ordered phase is separated from the
disordered state by a order-disorder phase transition occurring at a critical temperature Tc , which presents an
intriguing dependence with the size k of the adsorbed molecules. In addition, two analytical techniques were
combined with Monte Carlo simulations to predict the critical temperature of the order-disorder transformation.
The first is based on a detailed mean-field approximation ~DMFA!, considering the exact interactions between
the k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.k-mers separated by k adjacent empty sites, was found. This ordered phase is separated from the
disordered state by a order-disorder phase transition occurring at a critical temperature Tc , which presents an
intriguing dependence with the size k of the adsorbed molecules. In addition, two analytical techniques were
combined with Monte Carlo simulations to predict the critical temperature of the order-disorder transformation.
The first is based on a detailed mean-field approximation ~DMFA!, considering the exact interactions between
the k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.Tc , which presents an
intriguing dependence with the size k of the adsorbed molecules. In addition, two analytical techniques were
combined with Monte Carlo simulations to predict the critical temperature of the order-disorder transformation.
The first is based on a detailed mean-field approximation ~DMFA!, considering the exact interactions between
the k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.k of the adsorbed molecules. In addition, two analytical techniques were
combined with Monte Carlo simulations to predict the critical temperature of the order-disorder transformation.
The first is based on a detailed mean-field approximation ~DMFA!, considering the exact interactions between
the k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.~DMFA!, considering the exact interactions between
the k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.k-mers belonging to a region g ~the cluster! and a mean-field interaction with the rest outside g . Different
sizes for g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.g (k31,k32,2k31,2k32) were used in the calculations in order to discuss its influence in the
determination of Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.Tc . The second approach is based on a free energy minimization criterion ~FEMCA!. The
dependence on k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.k of the transition temperature Tc(k) observed in MC is in remarkable qualitative agreement
with DMFA and FEMCA. Both allow us to interpret the physical meaning of the mechanisms underlying the
observed transitions.