Browsing Waterloo Research by Author "Matsen, Mark"
Now showing items 1-10 of 10
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Calibration of a Lattice Model for High-Molecular-Weight Block Copolymer Melts
Willis, James; Beardsley, Tom; Matsen, Mark (AIP, 2019-05-06)The Morse calibration is applied to a lattice model designed for efficient simulations of two-component polymer melts of high molecular weight. The model allows multiple occupancy per site, which results in high invariant ... -
Calibration of the Flory-Huggins Interaction Parameter in Field-Theoretic Simulations
Beardsley, Tom; Matsen, Mark (2019)Field-theoretic simulations (FTS) offer a versatile method of dealing with complicated block copolymer systems, but unfortunately they struggle to cope with the level of fluctuations typical of experiments. Although the ... -
Computationally Efficient Field-Theoretic Simulations for Block Copolymer Melts
Beardsley, T.M.; Spencer, R.K.W.; Matsen, M.W. (American Chemical Society, 2019-11-12)Field-theoretic simulations (FTS) provide fluctuation corrections to self-consistent field theory (SCFT) by simulating its field-theoretic Hamiltonian rather than applying the saddle-point approximation. Although FTS work ... -
Effect of chain stiffness on the entropic segregation of chain ends to the surface of a polymer melt
Blaber, Steven; Mahmoudi, Pendar; Spencer, Russell; Matsen, Mark (2019)Entropic segregation of chain ends to the surface of a monodisperse polymer melt and its effect on surface tension is examined using self-consistent field theory (SCFT). In order to assess the dependence on chain stiffness, ... -
Entropic segregation of short polymers to the surface of a polydisperse melt
Mahmoudi, Pendar; Matsen, Mark (Springer, 2017)Chain ends are known to have an entropic preference for the surface of a polymer melt, which in turn is expected to cause the short chains of a polydisperse melt to segregate to the surface. Here, we examine this entropic ... -
Fluctuation correction for the critical transition of symmetric homopolymer blends
Beardsley, Tom; Matsen, Mark (AIP, 2017-07)Monte Carlo simulations are performed on structurally symmetric binary homopolymer blends over a wide range of invariant polymerization indexes, N. A finite-size scaling analysis reveals that certain critical exponents ... -
Fluctuation effects in blends of A+B homopolymers with AB diblock copolymer
Spencer, Russell; Matsen, Mark (AIP, 2018-05)Field-theoretic simulations (FTS) are performed on ternary blends of A- and B-type homopolymers of polymerization N_h and symmetric AB diblock copolymer of polymerization N_c. Unlike previous studies, our FTS are conducted ... -
Segregation of chain ends to the surface of a polymer melt: effect of surface profile versus chain discreteness
Mahmoudi, Pendar; Matsen, Mark (Springer, 2016)Silberberg has argued that the surface of a polymer melt behaves like a reflecting boundary on the random-walk statistics of the polymers. Although this is approximately true, independent studies have shown that violations ... -
Spontaneous Tilting Transition in Liquid-Crystalline Polymer Brushes
Blaber, Steven; Abukhdeir, Nasser Mohieddin; Matsen, Mark (2019)The equilibrium phase behavior of main-chain liquid-crystalline polymer brushes in good solvent is investigated using self-consistent field theory. The calculation assumes semi-dilute brushes, where the grafting density ... -
Testing the Universality of Entropic Segregation at Polymer Surfaces
Mahmoudi, Pendar; Forrest, William; Beardsley, Tom; Matsen, Mark (2018)This study addresses entropic segregation effects at the surfaces of monodisperse and bidisperse melts. For the monodisperse melts, we focus on the segregation of chain ends to the surface, and for the bidisperse melts, ...