Recent advances on the structure–properties relationship of multiblock copolymers

GP Baeza - Journal of Polymer Science, 2021 - Wiley Online Library
Multiblock copolymers represent a fascinating class of materials that sits at the very heart of
industrial applications and fundamental polymer science. They are most often made of a …

The Z1+ package: Shortest multiple disconnected path for the analysis of entanglements in macromolecular systems

M Kröger, JD Dietz, RS Hoy, C Luap - Computer Physics Communications, 2023 - Elsevier
This paper describes and provides Z1+, the successor of the Z-and Z1-codes for topological
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …

Polymer crystallization under external flow

J Sheng, W Chen, K Cui, L Li - Reports on Progress in Physics, 2022 - iopscience.iop.org
The general aspects of polymer crystallization under external flow, ie, flow-induced
crystallization (FIC) from fundamental theoretical background to multi-scale characterization …

Linear, Star, Comb, and Ring Crystallizable Multiblock Copolymers Investigated by Molecular Dynamics Simulations

J Morthomas, V Viola, V Vallejo-Otero… - Macromolecules, 2023 - ACS Publications
We use coarse-grained molecular dynamics simulations to study the impact of the chain
topology on the structure and thermal and mechanical properties of crystallizable multiblock …

Mechanistic Understanding of Sticker Aggregation in Supramolecular Polymers: Quantitative Insights from the Plateau Modulus of Triblock Copolymers

M Nébouy, J Morthomas, C Fusco, L Chazeau… - …, 2022 - ACS Publications
Quantifying the impact of associative group aggregation on the mechanical properties of
dense supramolecular networks remains a challenging problem. To address this question …

Phase separation kinetics of block copolymer melts confined under moving parallel walls: A DPD study

AK Singh, A Singh - Computational Materials Science, 2023 - Elsevier
We use dissipative particle dynamics (DPD) simulations to study the effect of shear on
domain morphology and kinetics of microphase separating critical diblock copolymer (BCP) …

Coarse-grained dynamics simulation in polymer systems: From structures to material properties

H Gao, R Shi, Y Zhu, H Qian, Z Lu - Chemical Research in Chinese …, 2022 - Springer
Polymers are widely used in our daily life and industry because of their intrinsic
characteristics, such as multi-functionality, low cost, light mass, ease of processability, and …

Development of Coarse-Grained Models for Poly (4-vinylphenol) and Poly (2-vinylpyridine): Polymer Chemistries with Hydrogen Bonding

U Kapoor, A Kulshreshtha, A Jayaraman - Polymers, 2020 - mdpi.com
In this paper, we identify the modifications needed in a recently developed generic coarse-
grained (CG) model that captured directional interactions in polymers to specifically …

Enhanced nucleation of bimodal molecular weight distribution polymers: A molecular dynamics study

Z Zhai, J Morthomas, C Fusco, M Perez… - Europhysics …, 2023 - iopscience.iop.org
We perform coarse-grained molecular dynamics (CGMD) simulations to study the
homogeneous nucleation of bimodal and unimodal molecular weight distribution polymers …

Effect of block length on the network connectivity and temperature resistance of model, soft thermoplastic elastomers

S Sbrescia, P Nicolella, T Engels, M Seitz - Journal of Rheology, 2022 - pubs.aip.org
We discuss the connection between high-temperature mechanics, block structure, and
composition of a model series of industrially relevant, soft, thermoplastic elastomers (TPEs) …