Dynamics of polymer segments, polymer chains, and nanoparticles in polymer nanocomposite melts: A review

EJ Bailey, KI Winey - Progress in Polymer Science, 2020 - Elsevier
The addition of nanoparticles (NPs) to a polymer matrix, forming a polymer nanocomposite
(PNC), is known to alter the microscopic dynamic processes of both species which leads to …

[HTML][HTML] Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

SK Kumar, V Ganesan, RA Riggleman - The Journal of chemical …, 2017 - pubs.aip.org
This topical review discusses the theoretical progress made in the field of polymer
nanocomposites, ie, hybrid materials created by mixing (typically inorganic) nanoparticles …

[HTML][HTML] 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 …

[HTML][HTML] Network dynamics in nanofilled polymers

GP Baeza, C Dessi, S Costanzo, D Zhao… - Nature …, 2016 - nature.com
It is well accepted that adding nanoparticles (NPs) to polymer melts can result in significant
property improvements. Here we focus on the causes of mechanical reinforcement and …

Functionalized germanene as a prototype of large-gap two-dimensional topological insulators

C Si, J Liu, Y Xu, J Wu, BL Gu, W Duan - Physical Review B, 2014 - APS
We propose two-dimensional (2D) topological insulators (TIs) in functionalized germanenes
(Ge X, X= H, F, Cl, Br, or I) using first-principles calculations. We find GeI is a 2D TI with a …

[HTML][HTML] Phase stability and dynamics of entangled polymer–nanoparticle composites

R Mangal, S Srivastava, LA Archer - Nature communications, 2015 - nature.com
Nanoparticle–polymer composites, or polymer–nanoparticle composites (PNCs), exhibit
unusual mechanical and dynamical features when the particle size approaches the random …

An advanced elastomer with an unprecedented combination of excellent mechanical properties and high self-healing capability

J Liu, J Liu, S Wang, J Huang, S Wu, Z Tang… - Journal of Materials …, 2017 - pubs.rsc.org
Rubbers are widely applied in tires, seals, biomedical materials and aerospace applications
because of their unique high elasticity. However, combining high self-healing capability and …

Cellulose nanocrystals mechanical reinforcement in composite hydrogels with multiple cross-links: correlations between dissipation properties and deformation …

J Yang, CR Han, XM Zhang, F Xu, RC Sun - Macromolecules, 2014 - ACS Publications
Nanocomposites have drawn a great interest in materials science of elastomers in recent
years, and tailoring interfacial interactions between fillers and polymer matrix plays a critical …

[HTML][HTML] Challenges in multiscale modeling of polymer dynamics

Y Li, BC Abberton, M Kröger, WK Liu - Polymers, 2013 - mdpi.com
The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

Modeling of polymer structure and conformations in polymer nanocomposites from atomistic to mesoscale: A Review

A Karatrantos, N Clarke, M Kröger - Polymer reviews, 2016 - Taylor & Francis
Over the past two decades polymer nanocomposites have received tremendous interest
from industry and academia due to their advanced properties comparative to polymer …