Adsorption of two-dimensional polymers with two- and three-body self-interactions
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Updated: Dec 30, 2025

Self-assembling Morphologies Obtained from Helical Polycarbodiimide Copolymers and Their Triazole Derivatives
Published on: February 7, 2017
Nathann T Rodrigues1, Tiago J Oliveira1, Thomas Prellberg2
1Departamento de Física, Universidade Federal de Viçosa, 36570-900, Viçosa, Minas Gerais, Brazil.
Abstract:
Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body, and surface interaction strengths, the phase diagram displays four phases: swollen (coil), globule, crystal, and adsorbed. For small values of the surface interaction, we confirm the presence of swollen, globule, and crystal bulk phases. For sufficiently large values of the surface interaction, the system is in an adsorbed state, and the adsorption transition can be continuous or discontinuous, depending on the bulk phase. As such, the phase diagram contains a rich phase structure with transition surfaces that meet in multicritical lines joining in a single special multicritical point. The adsorbed phase displays two distinct regions with different characteristics, dominated by either single- or double-layer adsorbed ground states. Interestingly, we find that there is no finite-temperature phase transition between these two regions though rather a smooth crossover.
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