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- M Hamm, G Goldbeck-Wood, J G E M Fraaije, A V Zvelindovsky
- The Journal of chemical physics
- 2004

We introduce and apply a variant of a dynamic self-consistent field simulation in two dimensions to predict the structure of interfaces between a nematic and an amorphous polymer compatibilized by a diblock copolymer. First, we investigate the effect of the nematic order on the polymer polymer interface without compatibilizer. Then we include the… (More)

- J G E M Fraaije, C A van Sluis, A Kros, A V Zvelindovsky, G J A Sevink
- Faraday discussions
- 2005

We discuss the development of hierarchical polymer particles, or variegated polymersome composites, in which at least two different components are phase separated within one polymersome chimaera. We briefly discuss the present status in experimental polymersome research, and then discuss a speculative design strategy, based on mesoscopic simulations with a… (More)

The first three-dimensional simulation of shear-induced phase transitions in a polymeric system has been performed. The method is based on dynamic density-functional theory. The pathways between a bicontinuous phase with developing gyroid mesostructure and a lamellar/cylinder phase coexistence are investigated for a mixture of flexible triblock… (More)

We present a simple method for the numerical calculation of the noise distribution in multicomponent functional Langevin models. The topic is of considerable importance, in view of the increased interest in the application of mesoscopic dynamics simulation models to phase separation of complex uids in polymer and surfactant industries. We show that simple… (More)

- A N Morozov, A V Zvelindovsky, J G Fraaije
- Physical review. E, Statistical, nonlinear, and…
- 2001

In this paper, we incorporate some real-system effects into the theory of orientational phase transitions under shear flow [M. E. Cates and S. T. Milner, Phys. Rev. Lett. 62 1856 (1989) and G. H. Fredrickson, J. Rheol. 38, 1045 (1994)]. In particular, we study the influence of the shear-cell boundaries on the orientation of the lamellar phase. We predict… (More)

- J. G. E. M. Fraaije, O. A. Evers
- HPCN Europe
- 1995

In the present paper, we extend the dynamic mean-eld density functional method which describes microphase separation phenomena in polymer liquids , to account for viscoelastic eeects. The eeect of simple steady shear on polymer orientation and elongation is taken into account by adapting the polymer conngurational distribution function. We propose a… (More)

- G J A Sevink, J G E M Fraaije
- Soft matter
- 2014

We rigorously derived effective potentials for solvent-free DPD simulation of lipid bilayers. The derivation relies on an earlier developed hybrid particle/field method and is based on the idea that the solvent is always in local equilibrium on a coarse-grained time scale, given the instantaneous templates set by the self-assembly structure. By relating the… (More)

- A N Morozov, J G E M Fraaije
- Physical review. E, Statistical, nonlinear, and…
- 2002

We develop a theory to describe the reorientation phenomena in the lamellar phase of block copolymer melts under reciprocating shear flow. We show that, similar to the steady shear, the oscillating flow anisotropically suppresses fluctuations and gives rise to the [parallel]--> [perpendicular] transition. The experimentally observed high-frequency reverse… (More)

The Leibler theory [L. Leibler, Macromolecules 13 1602 (1980)] for microphase separation in AB block copolymer melts is generalized for systems with arbitrary topology of molecules. A diagrammatic technique for calculation of the monomeric correlation functions is developed. The free energies of various mesophases are calculated within the second-harmonic… (More)