Molecular Simulation of Structural Changes in Sphere Forming Block Copolymer Thin Films under Solvent Vapor Annealing
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Solvent Vapor Annealing (SVA) has become a prominent method for controlling nanodomains in block copolymer (BCP) films. Despite its utility, the intrinsic non-equilibrium nature of these processes complicates their theoretical understanding. In this study, we utilized coarse-grained molecular simulations to elucidate the transition path that the spherical domain in BCPs undergoes during SVA. Our approach captures multiple concurrent events, including swelling, and morphological transitions, yielding structures unattainable through thermal annealing. Our model successfully reproduced experiments where spheres dynamically split into several layers, leading to a new ordering. We further explored different system and process conditions and conducted in-depth analyzes of local energies to enhance our understanding of the phenomenon.