Numerical Simulations of Directed Self-Assembly in Diblock Copolymer Films using Zone Annealing and Pattern Templating

Bulk fabrication of surface patterns with sub-20 nm feature sizes is immensely desirable for many existing and emerging technologies. Directed self-assembly (DSA) of block copolymers (BCPs) has been a recently demonstrated approach to achieve such feature resolution over large-scale areas with minimal defect populations. However, much work remains to understand and optimize DSA methods in order to move this field forward. This paper presents large-scale numerical simulations of zone annealing and chemo-epitaxy processing of BCP films to achieve long-range orientational order. The simulations utilize a Time-Dependent Ginzburg-Landau model and parallel processing to elucidate relationships between the magnitude and velocity of a moving thermal gradient and the resulting BCP domain orientations and defect densities. Additional simulations have been conducted to study to what degree orientational order can be further improved by combining zone annealing and chemo-epitaxy techniques. It is found that these two DSA methods do synergistically enhance long-range order with a particular relationship between thermal gradient velocity and chemical template spacing.