1997
DOI: 10.1063/1.474994
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Computer simulations of asymmetric block copolymers

Abstract: We simulate dense diblock copolymer melts using the lattice bond-fluctuation method. Letting the lengths NA and NB of the A- and B-subchains vary (with NA+NB=N) we study the dependence of the static and dynamic properties on f=NA/N. Changes in the A-B interaction parameter allow to mimic large temperature variations. Thus at low T we find, depending on f, lamellar, hexagonal or micellar structures, as evident from the appearance of Bragg-reflexes in the collective structure factor S(q); for high temperatures S… Show more

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Cited by 56 publications
(53 citation statements)
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“…Previous simulations using periodic boundary conditions have also investigate the phase-segregated structure in copolymer systems [74][75][76][77][78][79] and polymer blend systems 80-90 by calculating the structure factor.…”
Section: Resultsmentioning
confidence: 99%
“…Previous simulations using periodic boundary conditions have also investigate the phase-segregated structure in copolymer systems [74][75][76][77][78][79] and polymer blend systems 80-90 by calculating the structure factor.…”
Section: Resultsmentioning
confidence: 99%
“…Moreover, polymers align parallel to the wall. The latter effect is partially captured in the self-consistent field calculations and favors a perpendicular arrangement of the lamellae [17,18]. The aim of our paper to present a quantitative comparison between the Monte Carlo simulations and self-consistent field calculations and to quantify the effects discussed above in the framework of a well-studied model.…”
Section: Introductionmentioning
confidence: 99%
“…Differences in the required energy for layer breaking (i.e., glide) may play a role in the observed difference in domain coarsening. We understand the origin for such an energy difference by noting that in the cylindrical striped pattern it is possible to glide without traversing a cylindrical domain, as molecules can diffuse or rotate around cylinder cores [23] (with the favorable D par ). In lamellar striped patterns, glide necessarily involves molecular diffusion across domains with the slower D perp .…”
mentioning
confidence: 99%
“…Striped patterns form from parallel oriented cylindrical-phase films and perpendicular lamellar domain orientations. Considerable previous theoretical work has described both the formation and evolution of generalized striped patterns [16][17][18] as well as two-dimensional lamellar block copolymers, [19][20][21][22][23] with predictions for f ranging from 0.2 to 0.5. Experimentally, Harrison et al first measured the time evolution of n(t) in cylindrical phase PS-b-PI diblock copolymer thin-films, [24] finding a value for f of 0.25.…”
mentioning
confidence: 99%