Phase separation kinetics of block copolymer melts confined under moving parallel walls: a DPD study

TL;DR

This study uses dissipative particle dynamics simulations to investigate how shear from moving walls influences the phase separation and morphology evolution of block copolymer melts, revealing shear-dependent length scales and shear-thinning behavior.

Contribution

It provides new insights into the effects of different wall shear conditions on microphase separation kinetics of diblock copolymer melts using DPD simulations.

Findings

Shear accelerates lamellar morphology formation.

Characteristic length scale follows power-law and saturates with fixed walls.

Shear viscosity decreases with increasing shear rate.

Abstract

We use dissipative particle dynamics (DPD) simulations to study the effect of shear on domain morphology and kinetics of microphase separating critical diblock copolymer (BCP) bulk melts. The melt is confined within two parallel solid walls at the top and bottom of the simulation box. The shear is induced by allowing the walls to move in a direction with a specific velocity. We explore the following cases: (i) walls are fixed, (ii) only the top wall moves, (iii) both walls move in the same direction, and (iv) both walls move in opposite directions. After the temperature quench, we monitor the effect of shear on evolution morphology, the scaling behavior of the system, and the characteristic length scale and growth. The characteristic length scale follows typical power-law behavior at early times and saturates at late times when both walls are fixed. The length scale changes significantly with shear caused by wall velocities. The usual lamellar morphology, which is not achieved for case 1 within the considered simulation time steps, is noticed much earlier for the nonzero wall velocity cases. Specifically, it is seen much before in case 4 than in the other cases. We find that the shear viscosity decreases (shear-thinning) with wall velocity (shear rate) for all the cases at a given coarsening time. Overall, we report the influence rule of shear rates on microphase separation kinetics of BCP melts. This study can provide a scheme to anticipate and design anisotropic microstructures under the application of externally controlled wall shear that may further guide in producing the various composite materials with superior mechanical and physical properties.