Recent developments in fully fluctuating field-theoretic simulations of polymer melts and solutions

KT Delaney, GH Fredrickson - The Journal of Physical Chemistry …, 2016 - ACS Publications
We review the latest developments in computational methods for direct simulation of fully
fluctuating field theories of polymeric assemblies. In this context, we describe a newly …

Stabilizing the Frank-Kasper Phases via Binary Blends of AB Diblock Copolymers

M Liu, Y Qiang, W Li, F Qiu, AC Shi - ACS Macro Letters, 2016 - ACS Publications
The emergence of the complex Frank-Kasper phases from binary mixtures of AB diblock
copolymers is studied using the self-consistent field theory. The relative stability of different …

Multilayer block copolymer meshes by orthogonal self-assembly

A Tavakkoli KG, SM Nicaise, KR Gadelrab… - Nature …, 2016 - nature.com
Continued scaling-down of lithographic-pattern feature sizes has brought templated self-
assembly of block copolymers (BCPs) into the forefront of nanofabrication research …

Formation of Nonclassical Ordered Phases of -Type Multiarm Block Copolymers

Y Gao, H Deng, W Li, F Qiu, AC Shi - Physical Review Letters, 2016 - APS
The formation of ordered phases from block copolymers is driven by a delicate balance
between the monomer-monomer interaction and chain configurational entropy. The …

Thermodynamics and kinetics of defect motion and annihilation in the self-assembly of lamellar diblock copolymers

W Li, M Müller - Macromolecules, 2016 - ACS Publications
The thermodynamics of dislocations in thin films of lamella-forming diblock copolymers and
their climb and glide motions are investigated using single-chain-in-mean-field (SCMF) …

Stability of the Frank–Kasper σ-phase in BABC linear tetrablock terpolymers

M Liu, W Li, F Qiu, AC Shi - Soft Matter, 2016 - pubs.rsc.org
The phase behavior of B1AB2C tetrablock terpolymer melts is systematically studied using
the self-consistent field theory, focusing on the emergence and stability of the complex Frank …

Understanding the ordering mechanisms of self-assembled nanostructures of block copolymers during zone annealing

Z Cong, L Zhang, L Wang, J Lin - The Journal of Chemical Physics, 2016 - pubs.aip.org
A theoretical method based on dynamic version of self-consistent field theory is extended to
investigate directed self-assembly behaviors of block copolymers subjected to zone …

Genetic algorithm for discovery of globally stable phases in block copolymers

CL Tsai, KT Delaney, GH Fredrickson - Macromolecules, 2016 - ACS Publications
A method of determining the globally stable morphologies of block copolymers using a
framework composed of a genetic algorithm (GA) in conjunction with self-consistent field …

Hierarchical superstructures assembled by binary hairy nanoparticles

C Chen, T Zhang, L Zhu, B Zhao, P Tang… - ACS Macro …, 2016 - ACS Publications
Hierarchical superstructures assembled by binary mixed homopolymer-grafted
nanoparticles are investigated by using a self-consistent field theory (SCFT). Our results …

Fddd network phase in ABA triblock copolymer melts

W Li, KT Delaney… - Journal of Polymer Science …, 2016 - Wiley Online Library
Using self‐consistent field theory, we investigate the stability of the orthorhombic Fddd
network phase (O70) in ABA triblock copolymer melt systems. Consistent with previous …