On the understanding of self- assembly of anisotropic colloidal particles using computer simulation methods

Self-assembly is a process in which a non-ordered system forms an organized structure under specific condition, as intermolecular interactions. The objective of this work is to study the process of self-assembly of colloidal particles under geometrical confinement. Spherical caps and rounded colloidal platelets are used in order to understand the self-assembly following the nucleation kinetics way. The last one answers to the question about the time-scale of the stability of new configuration and helps us about the determination of supersaturate caused by hysteresis phenomenon. The basic problem is about the interface and where exactly is that. At interface, the energy increases from liquid to solid. This takes time that depends on the nucleation rate. As a result, nucleation rate can determine the final structure formed by a system. In order to compute the range of hysteresis, we use the Thermodynamic Integration (TI) method as the calculations of free energy are required. Widom's particle insertion method for a fluid and Einstein Crystal method for a solid give results about the free energy and the stability of configurations. The whole research will elucidate the nucleation mechanism and the fabrication of advanced materials in nanotechnology, optical technology, and food industry.