Dynamics of surface directed mesophase formation in block copolymer melts

Sevink, G. J. A.; Zvelindovsky, Andrei; Vlimmeren, B.A.C. van; Maurits, Natasha M.; Fraaije, J. G. E. M.

doi:10.1063/1.477837

Cited by 103 publications

(119 citation statements)

References 41 publications

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“…This agrees with DDFT results on lamellae forming block copolymers. 38 The influence of the slit is at least twofold. First, it is known that external forces, like electric fields 48 and flow fields, 37 can reduce the time scales connected with long range ordering enormously.…”

Section: E Dynamics In a Slitmentioning

confidence: 99%

“…In the DDFT a density field M (r) is assigned to the hard objects ͑masks͒; M ϵ M vϭ1 inside and M ϭ0 outside the objects. 38 The last term of Eq. ͑2͒ takes into account the excluded volume interactions, by imposing a free energy penalty when the total density deviates at a certain position from its average value.…”

Section: B Free Energy Modelmentioning

confidence: 99%

“…37 Recently, the theory has been extended to study the influence of hard objects on the domain formation process of block copolymers. 38 In fact, our study is a systematic investigation of a block copolymer melt in contact with a specific class of hard objects: infinite parallel surfaces. In our calculations we mimic a film as a polymer melt confined in a slit and assume that the finite size of the polymer/air interface can be neglected.…”

Section: B This Studymentioning

confidence: 99%

“…In the DDFT model the following free energy functional is used to model the behavior of an one-component polymer melt. 35,38 F͓͕ ͖͔ϭϪkT ln ⌽Љ…”

Section: B Free Energy Modelmentioning

confidence: 99%

“…35,36,38,39 In the DDFT model a box with periodic boundaries is filled with fixed amounts of beads of different types, ͕N I ͖. A polymer is represented as a string of beads.…”

Section: A Dynamicsmentioning

confidence: 99%

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Asymmetric block copolymers confined in a thin film

Huinink

Brokken-Zijp

Dijk

et al. 2000

The Journal of Chemical Physics

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186

318

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We have used a dynamic density functional theory ͑DDFT͒ for polymeric systems, to simulate the formation of micro phases in a melt of an asymmetric block copolymer, A n B m ( f A ϭ1/3), both in the bulk and in a thin film. In the DDFT model a polymer is represented as a chain of springs and beads. A spring mimics the stretching behavior of a chain fragment and the spring constant is calculated with the Gaussian chain approximation. Simulations were always started from a homogeneous system. We have mainly investigated the final morphology, adopted by the system. First, we have studied the bulk behavior. The diblock copolymer forms a hexagonal packed array of A-rich cylinders, embedded in a B-rich matrix. Film calculations have been done by confining a polymer melt in a slit. Both the slit width and surface-polymer interactions were varied. With the outcomes a phase diagram for confined films has been constructed. Various phases are predicted: parallel cylinders (C ʈ ), perpendicular cylinders (C Ќ ), parallel lamellae (L ʈ ), and parallel perforated lamellae (CL ʈ ). When the film surfaces are preferentially wet by either the A or the B block, parallel oriented microdomains are preferred. A perpendicular cylindrical phase is stable when neither the A nor B block preferentially wets the surfaces. The predicted phase diagram is in accordance with experimental data in the literature and explains the experimentally observed differences between films of asymmetric block copolymers with only two parameters: the film thickness and the energetic preference of the surface for one of the polymer blocks. We have also observed, that confinement speeds up the process of long range ordering of the microdomains.

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Section: E Dynamics In a Slitmentioning

confidence: 99%

Section: B Free Energy Modelmentioning

confidence: 99%

Section: B This Studymentioning

confidence: 99%

“…In the DDFT model the following free energy functional is used to model the behavior of an one-component polymer melt. 35,38 F͓͕ ͖͔ϭϪkT ln ⌽Љ…”

Section: B Free Energy Modelmentioning

confidence: 99%

“…35,36,38,39 In the DDFT model a box with periodic boundaries is filled with fixed amounts of beads of different types, ͕N I ͖. A polymer is represented as a string of beads.…”

Section: A Dynamicsmentioning

confidence: 99%

See 3 more Smart Citations