Designing a New Lattice Model to Simulate Low-molecular-weight Block Copolymers for Nanolithographic Applications

A new lattice model is designed to be suitable for simulating low-molecular-weight block copolymer (BCP) melts currently used in experiments to achieve sub-10 nm domain sizes ( i.e. , having an invariant degree of polymerization between 10 2 and 10 3 ). It gives an isothermal compressibility comparable to real polymers such as polystyrene and poly(methyl methacrylate), high Monte Carlo simulation efficiency, and the fluctuation effects important for the low-molecular-weight BCPs. With its high lattice coordination number, the model can also be readily used for branched chains such as star BCPs.