Abstract
Molecular dynamics simulation is adopted to simulate the glass transition temperature of polymer and the nanoimprinting process in this research. The simulated glass transition temperature is applied to our imprinting process. We expect to have the advantage of low cost and high throughput by solving the problems of imprinting process with simulation technology before experiment. A brief statement divided into two parts is as follows. (一)Molecular dynamics is adopted to simulate the glass transition temperature of polymer at different chain length, and the chain length has 100,200,400 and 800, respectively. The simulated purpose is to explore the relation between the chain length and the glass transition temperature of polymer and the relation between the pressure and the glass transition temperature of polymer at the same chain length. (二)We adopt molecular dynamics to simulate the nano-scale imprinting process, and investigate the defects during imprinting and demolding step. Further observing the properties of imprinted polymer including density, pressure, end-to-end distance and orientation factor varies with time during imprinting process. Besides, studying imprinting process at different imprinting velocity or low interaction between metal particle and polymer particle will affect the simulated results or not. With increasing the imprinting velocity, the pressure of system gets larger. While the pressure of system getting larger, it maybe result in the break of mold. With lowering the interaction between metal particle and polymer particle, it can avoid the stick between metal and polymer. Finally, the nano-pattern of polymer can be observed by lowering both the imprinting temperature and the interaction.