Placement of cylinders in hole multiplication patterns for directed self-assembly is the topic of this computational study. A hole doublet process applying a corner rounded rectangle guide is the focus of this work. Placements including morphology fluctuation can be analyzed by dissipative particle dynamics simulation. When the surface of guides and underlayers are modified from strong polymethyl methacrylate (PMMA) attractive to weak PMMA attractive, two PMMA cylinders can be contacted at the underlayer. Even when the PMMA domain had a separated morphology, hole placement errors (HPE) were similar to those with connected domains which occurred in the strong PMMA affine case. In general, HPE in longitudinal guide direction was larger than in the shorter direction. It is interesting to note that HPE in the longer direction was decreased by increasing the guide size in shorter direction. Cylinder tops likely fluctuate; cylinder middles may fluctuate as well in some cases. Means for HPE reduction were also tested computationally: reducing the guide thickness and employing dimpled structures. Decreasing guide thickness was effective for reducing HPE; however, guide thicknesses that were too thin prevented PMMA domains from forming vertical cylinders. Dimpled structures also reduced HPE. The depth of the dimple had a little influence on the distance of two holes when the guide structure was fitted with hexagonal packing for the block co-polymers.
We report computational study for directed self-assembly (DSA) on morphologies’ dislocation caused by block copolymers’ (BCPs’) thermal fluctuation in grapho-epitaxial cylindrical guides. The dislocation factor expressed as DSA-oriented placement errors (DSA-PEs) was numerically evaluated by historical data acquisition utilizing dissipative particle dynamics simulation. Calculated DSA-PEs was compared with experimental results on two kinds of guide pattern, resist guide with no surface modifications (REF guide) and resist guide with polystyrene coated (PS-brush guide). Vertical distribution of DSA-PEs within the cylindrical guides was calculated and relatively high DSA-PEs near top region was deduced particularly in REF guide. The tendency of experimental DSA-PEs was well explained by the calculation including a fluctuation parameter on the wall particles. In PS-brush guide, calculated DSA-PEs was drastically increased with becoming the guide more fluctuating. This result indicates to fabricate hard and steady guide condition in PS-brush guide so as to achieve better placements. From the variety of guide critical dimension (CD) computation, it is suggested that smaller guide CD is better to obtain good placements. The smallest DSA-PE value in this study was observed in PS-brush guide with smaller guide CD because of the strong restriction of BCP arrangement flexibility.