title: Computer simulation study of pattern transfer in AB diblock copolymer film adsorbed on a heterogeneous surface.
abstract: In this work we investigate how a pattern imposed in a copolymer film at a certain distance from the surface propagates through the film onto an adsorbing heterogeneous surface. We bias the copolymer film to adopt a specified target pattern and then use simulation to design a surface pattern that helps the adsorbed film to maintain that target pattern. We examine the effect of varying the copolymer chain length, the size of the target pattern, and the distance from the surface where the target pattern is applied, z', on the extent of pattern transfer. For each chain length, target pattern, and z' we compare the energy of the system when a pattern is applied in the bulk to the energy when no pattern is applied in order to understand why a certain pattern size is transferred to the surface with higher fidelity than the others. At constant chain length, pattern transfer is best when the pattern size brings the energy of the system close to the energy when no pattern is applied. At constant pattern size, pattern transfer is best in the systems with longer chains. This is because longer chains are more likely to adsorb as brushes and loops which then helps transfer the pattern through the adsorbed film down to the surface.
authors.affiliation: Department of Chemical and Biomolecular Engineering, North Carolina State University, College of Engineering 1, Box 7905, 911 Partners Way, Raleigh, North Carolina 27695, USA.
authors.forename: A
authors.initials: A
authors.lastname: Jayaraman
authors.forename: C K
authors.initials: CK
authors.lastname: Hall
authors.forename: J
authors.initials: J
authors.lastname: Genzer
mesh_terms: D000327:Adsorption; D002627:Chemistry, Physical / Q000379:methods*; D003198:Computer Simulation; D015233:Models, Statistical; D008968:Molecular Conformation; D009010:Monte Carlo Method; D011108:Polymers / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D011108:Polymers