IMF2017

Over the past decade, the significant development in manufacturing technology enables to obtain nanostructure material in various forms such as ultrathin films, nanowires, nanotubes, and nanoparticles. The extensive use of microelectromechiancal systems (MEMS) and nanoelectromechanical systems (NEMS) in pressure sensors, accelerometers, micromirrors, miniature robots enforces the importance of nanotechnology as one of the major trends in future and a wide range of potential industrial application of ferroelectric nanostructures. Intensive experimental and computational efforts have been made recently to understand the response of ferroelectric nanostructures. However, due to the quantum effects, nanoscale materials show significant differences in mechanical, thermal, electrical, magnetic, or optical properties etc, when compared to their corresponding bulk state. At nanoscale, even a slight atomic displacement strongly affects their properties, leading to critical malfunction of devices in some cases. Thus, a reliable design of nanoscale devices requires a better understanding of the behavior of nanoscale materials. To further elucidate the relation between property and performance of ferroelectric nanostructures, this study aims to investigate the coupling effect of ferroelectric nanostructures under electric and mechanical fields through molecular dynamics simulation by applying shell model. In this study, the deformation process and the ferroelectric response of ferroelectric nanostructures lead titanate are investigated.