Chemically specific coarse‐graining of polymers: Methods and prospects
S Dhamankar, MA Webb - Journal of Polymer Science, 2021 - Wiley Online Library
Coarse‐grained (CG) modeling is an invaluable tool for the study of polymers and other soft
matter systems due to the span of spatiotemporal scales that typify their physics and …
matter systems due to the span of spatiotemporal scales that typify their physics and …
Frank–Kasper phases in block polymers
KD Dorfman - Macromolecules, 2021 - ACS Publications
The discovery of the Frank–Kasper σ phase in diblock copolymer and tetrablock terpolymer
melts catalyzed a renewed interest over the past decade in understanding particle-forming …
melts catalyzed a renewed interest over the past decade in understanding particle-forming …
Field-theoretic simulations for block copolymer melts using the partial saddle-point approximation
MW Matsen, TM Beardsley - Polymers, 2021 - mdpi.com
Field-theoretic simulations (FTS) provide an efficient technique for investigating fluctuation
effects in block copolymer melts with numerous advantages over traditional particle-based …
effects in block copolymer melts with numerous advantages over traditional particle-based …
Design of high‐χ block copolymers for lithography
WJ Durand, G Blachut, MJ Maher… - Journal of Polymer …, 2015 - Wiley Online Library
This report describes the design and synthesis of a series of lamella‐forming, silicon‐
containing block copolymers (Si‐BCPs) and evaluation of these materials as potential …
containing block copolymers (Si‐BCPs) and evaluation of these materials as potential …
[HTML][HTML] Formation of complex spherical packing phases in diblock copolymer/homopolymer blends
The formation and relative stability of spherical packing phases in binary blends composed
of AB-diblock copolymers and A-homopolymers are systematically studied using the self …
of AB-diblock copolymers and A-homopolymers are systematically studied using the self …
[HTML][HTML] Field theoretic approach for block polymer melts: SCFT and FTS
MW Matsen - The Journal of Chemical Physics, 2020 - pubs.aip.org
This perspective addresses the development of polymer field theory for predicting the
equilibrium phase behavior of block polymer melts. The approach is tailored to the high …
equilibrium phase behavior of block polymer melts. The approach is tailored to the high …
End groups of functionalized siloxane oligomers direct block-copolymeric or liquid-crystalline self-assembly behavior
RH Zha, BFM de Waal, M Lutz… - Journal of the …, 2016 - ACS Publications
Monodisperse oligodimethylsiloxanes end-functionalized with the hydrogen-bonding
ureidopyrimidinone (UPy) motif undergo phase separation between their aromatic end …
ureidopyrimidinone (UPy) motif undergo phase separation between their aromatic end …
Modulation of the complex spherical packings through rationally doping a discrete homopolymer into a discrete block copolymer: a quantitative study
The Frank–Kasper phase and quasicrystalline phase are an intriguing class of complex
crystalline structures, which so far are sporadically observed only in a limited number of …
crystalline structures, which so far are sporadically observed only in a limited number of …
Temperature transferable and thermodynamically consistent coarse-grained model for binary polymer systems
For the simulations of polymer systems, coarse-grained (CG) models are often developed to
tackle the length and time scale limitations that are not feasible by all-atom molecular …
tackle the length and time scale limitations that are not feasible by all-atom molecular …
Self-Consistent Field Theory Predicts Universal Phase Behavior for Linear, Comb, and Bottlebrush Diblock Copolymers
We use self-consistent field theory (SCFT) to map phase boundaries between periodic
microphases for linear, comb-like, and bottlebrush diblock copolymers with continuous …
microphases for linear, comb-like, and bottlebrush diblock copolymers with continuous …