2016/04/18 by George Papakonstantopoulos, Kostas Ch. Daoulas, Papakonstantopoulos, George J. +5
Materials Science · Physics and Astronomy · #Block Copolymer Self-Assembly #FOS: Physical sciences #Machine Learning in Materials Science #Soft Condensed Matter (cond-mat.soft) #Theoretical and Computational Physics
paper · pdf · doi:10.48550/arxiv.1604.05265
openalex publication_date 2016/04/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
A technique is presented which maps the parameters of a bead spring model, using the Flory Huggins theory, to a specific experimental system. By keeping only necessary details, for the description of these systems, the mapping procedure turns into an estimation of a few characteristic parameters. An asset of this technique is that it is simple to apply and captures the behavior of block copolymer phase separation. In our study this mapping technique is utilized in conjunction with a Monte Carlo (MC) algorithm to perform simulations on block copolymer systems. The microphase separation is investigated in the bulk and under confinement, on unpatterned and patterned surfaces.