In:
The Journal of Chemical Physics, AIP Publishing, Vol. 138, No. 10 ( 2013-03-14)
Abstract:
A new Lattice Boltzmann (LB) approach is introduced to solve for the block copolymer propagator in polymer field theory. This method bridges two desired properties from different numerical techniques, namely: (i) it is robust and stable as the pseudo-spectral method and (ii) it is flexible and allows for grid refinement and arbitrary boundary conditions. While the LB method is not as accurate as the pseudo-spectral method, full self-consistent field theoretic simulations of block copolymers on graphoepitaxial templates yield essentially indistinguishable results from pseudo-spectral calculations. Furthermore, we were able to achieve speedups of ∼100× compared to single CPU core implementations by utilizing graphics processing units. We expect this method to be very useful in multi-scale studies where small length scale details have to be resolved, such as in strongly segregating block copolymer blends or nanoparticle-polymer interfaces.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
2013
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
