The entropy-controlled strategy in self-assembling systems

X Zhang, X Dai, L Gao, D Xu, H Wan, Y Wang… - Chemical Society …, 2023 - pubs.rsc.org
Self-assembly of various building blocks has been considered as a powerful approach to
generate novel materials with tailorable structures and optimal properties. Understanding …

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 …

Modeling and simulations of polymers: a roadmap

TE Gartner III, A Jayaraman - Macromolecules, 2019 - ACS Publications
Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

Nanocomposites with polymer grafted nanoparticles

SK Kumar, N Jouault, B Benicewicz, T Neely - Macromolecules, 2013 - ACS Publications
A recurring challenge in the field of nanocomposites is to control the spatial distribution of
nanoparticles (NPs) in a polymer matrix. This issue is of critical importance since it is now …

Janus particle synthesis and assembly

S Jiang, Q Chen, M Tripathy, E Luijten… - Advanced …, 2010 - Wiley Online Library
Janus particles, colloid‐sized particles with two regions of different surface chemical
composition, possess energetic interactions that depend not only on their separation but …

Nanoparticle dispersion and aggregation in polymer nanocomposites: insights from molecular dynamics simulation

J Liu, Y Gao, D Cao, L Zhang, Z Guo - Langmuir, 2011 - ACS Publications
It is a great challenge to fully understand the microscopic dispersion and aggregation of
nanoparticles (NPs) in polymer nanocomposites (PNCs) through experimental techniques …

Theory and simulation studies of effective interactions, phase behavior and morphology in polymer nanocomposites

V Ganesan, A Jayaraman - Soft Matter, 2014 - pubs.rsc.org
Polymer nanocomposites are a class of materials that consist of a polymer matrix filled with
inorganic/organic nanoscale additives that enhance the inherent macroscopic (mechanical …

The structure of chain end-grafted nanoparticle/homopolymer nanocomposites

PF Green - Soft Matter, 2011 - pubs.rsc.org
The morphological structure of mixtures of homopolymers with inorganic nanoparticles, onto
which polymer chain ends are grafted, is described herein. In the bulk, at very low grafting …

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 …

Molecular theories of polymer nanocomposites

LM Hall, A Jayaraman, KS Schweizer - Current Opinion in Solid State and …, 2010 - Elsevier
Significant progress towards the development of microscopic predictive theories of the
equilibrium structure, polymer-mediated interactions, and phase behavior of polymer …