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Lattice Boltzmann method for multiscale self-consistent field theory simulations of block copolymers
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10.1063/1.4794922
/content/aip/journal/jcp/138/10/10.1063/1.4794922
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/10/10.1063/1.4794922
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Partition function propagators of a homopolymer at the chain ends along the x direction under (a) sine and (b) nanoparticle fields solved from the pseudo-spectrum or LB methods. The space discretization is set to dx = 0.05. The LB relaxation constant is τ = 2.5, 1.7( ), and 1.1 for sine field and τ = 1.7, 1.2( ), and 0.8 for nanoparticle field.

Image of FIG. 2.
FIG. 2.

Error values (see text for definition) as a function of the relaxation constant τ for different fields with (a) dx = 0.1 in 2D, (b) dx = 0.1 in 3D, and (c) dx = 0.05 in 2D.

Image of FIG. 3.
FIG. 3.

Error values as a function of τ for (a) sin field (mode = 1) and (b) tanh field (ξ = 1) with different field amplitudes.

Image of FIG. 4.
FIG. 4.

Error values for as a function of τ for s = 0.4, 0.6, 0.8, and 1.0.

Image of FIG. 5.
FIG. 5.

(a) Density distributions of a diblock copolymer system with f = 0.5 and χN = 13 from SCFT simulations with the PS or LB methods. (b) Errors in the free energies and the densities comparing the LB result to the PS result.

Image of FIG. 6.
FIG. 6.

Density distributions of a diblock copolymer system with f = 0.5 and χN = 40 (a) without or (b) with local refinements. The solid lines are the solutions from the pseudo-spectrum method and the symbols are the solutions from the lattice Boltzmann method.

Image of FIG. 7.
FIG. 7.

2D SCFT simulations of the self-assembly of block copolymers on commensurate templates using the LB method. The parameters of the copolymers are (a) to (c) f = 0.5 and χN = 13 and (d) to (f) f = 0.25 and χN = 18.

Image of FIG. 8.
FIG. 8.

Runtime per iteration as a function of the total number of lattice points for different processing units and methods.

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/content/aip/journal/jcp/138/10/10.1063/1.4794922
2013-03-14
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Lattice Boltzmann method for multiscale self-consistent field theory simulations of block copolymers
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/10/10.1063/1.4794922
10.1063/1.4794922
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