Towards controlled polymer brushes via a self-assembly-assisted-grafting-to approach

T Zhou, H Qi, L Han, D Barbash, CY Li - Nature communications, 2016 - nature.com
Precise synthesis of polymer brushes to modify the surface of nanoparticles and
nanodevices for targeted applications has been one of the major focuses in the community …

[HTML][HTML] Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior

A Moyassari, T Gkourmpis, MS Hedenqvist, UW Gedde - Polymer, 2019 - Elsevier
Blending different molar mass fractions of polyethylene (PE) in order to obtain materials with
higher fracture toughness has previously proven beneficial. Our approach has been to use …

Tailor-made thermoplastic elastomers: customisable materials via modulation of molecular weight distributions

SI Rosenbloom, DT Gentekos, MN Silberstein… - Chemical …, 2020 - pubs.rsc.org
The ability to change polymer properties has in the past largely been a factor of modulating
the molecular weight, molecular weight distribution breadth, crosslinking, or branching. The …

Coarse-grained molecular simulation of the role of curing rates on the structure and strength of polyurea

M Liu, J Ye, J Oswald - Computational Materials Science, 2023 - Elsevier
We present a reactive coarse-grained model that can more accurately simulate the interplay
between step-growth polymerization and phase segregation in elastomeric copolymers such …

Supramolecular organization of functional organic materials in the bulk and at organic/organic interfaces: A modeling and computer simulation approach

L Muccioli, G D'Avino, R Berardi, S Orlandi… - Multiscale Modelling of …, 2014 - Springer
The molecular organization of functional organic materials is one of the research areas
where the combination of theoretical modeling and experimental determinations is most …

Enhancement of Mechanical Performance of Nanostructured Materials by Architectural Design of Pentablock Terpolymers

T Zeng, J Lin, L Zhang - Macromolecules, 2024 - ACS Publications
Nanostructured materials consisting of multiple ordered domains can achieve a much
broader range of enhanced properties in comparison with their constituent counterparts …

Fracture process of double-network gels by coarse-grained molecular dynamics simulation

Y Higuchi, K Saito, T Sakai, JP Gong, M Kubo - Macromolecules, 2018 - ACS Publications
Double-network (DN) gels consisting of highly and slightly cross-linked networks exhibit
good mechanical properties, complicated deformation behavior, and fracture processes …

In-situ SAXS study and modeling of the cavitation/crystal-shear competition in semi-crystalline polymers: Influence of temperature and microstructure in polyethylene

B ** of the initiation of the plastic deformation processes in polyethylene via in situ WAXS and SAXS
B ** of the initiation of the three major plastic deformation processes in polyethylene
is established as a function of temperature and microstructure. In this aim, a collection of …

Influence of Tie-Molecules and Microstructure on the Fluid Solubility in Semicrystalline Polymers

M Valsecchi, J Ramadani, D Williams… - The Journal of …, 2022 - ACS Publications
Predicting the absorption of gases and liquids in semicrystalline polymers is of critical
importance for numerous applications; the mechanical and transport properties of these …