Two-dimensional Self-assembly Rigid Rod Model Transformation Of Monte Carlo Study

Self-assembly is the process that the assembly bases spontaneously form ordered structures through the interaction between each other, self-assembly is ubiquitous in nature, such as cells of the organism are self-assembled by a variety of biological molecules. Self-assembly is an important means to create new substances and to generate new features, The assembly bases used to conduct self-assembly are very rich, including organic molecules, synthetic polymers, biological macromolecules. ions, colloidal particles, supramolecular polymers and so on, involving chemistry. physics, materials and life sciences and many other areas. Therefore self-assembly is considered the hope to solve the major challenges of materials, energy, health and the environment during the society developing.The basic problem of self-assembly research is to reveal the nature of intermolecular interactions in the assembly bases and the collaborative law, and on this basis we achieve the regulation of self-assembly process, to prepare self-assembly systems with specific functions. In recent years, scientists have proposed the model of two-dimensional self-assembly of rigid rods, trying to gradually deepen the understanding of the self-assembly by researching the phase transition of the model. Extensive Monte Carlo simulations were carried out to investigate the nature of the ordering transition of a model of adsorbed self-assembled rigid rods on the bonds of a square lattice. The polydisperse rods undergo a continuous ordering transition that is found to be in the two-dimensional Ising universality class, as in models where the rods are monodisperse. This finding claims that equilibrium polydispersity doesn’t changes the nature of the phase transition in this class of models. Now taking full account of the differences of the physical model and the actual situation, we propose a new model of adsorbed self-assembled rigid rods with direction on the bonds of a square lattice. We use extensive Monte Carlo simulations and finite-size scaling theory to research the phase transition, and the results we obtained is useful to help us understanding self-assembly. In this paper, extensive Monte Carlo simulations and finite-size scaling theory were carried out to investigate the nature of the ordering transition of a model of adsorbed self-assembled rigid rods with direction on the bonds of a square lattice. We find that there are two phase transitions driven by the temperature, and we determine the fact that the two phase transitions are both continuous. Also the two transitions are found to be in the two-dimensional Ising universality class.