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 …
generate novel materials with tailorable structures and optimal properties. Understanding …
Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids
This topical review discusses the theoretical progress made in the field of polymer
nanocomposites, ie, hybrid materials created by mixing (typically inorganic) nanoparticles …
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 …
engineering community. These computational approaches enable predictions and provide …
Nanocomposites with polymer grafted nanoparticles
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 …
nanoparticles (NPs) in a polymer matrix. This issue is of critical importance since it is now …
Janus particle synthesis and assembly
Janus particles, colloid‐sized particles with two regions of different surface chemical
composition, possess energetic interactions that depend not only on their separation but …
composition, possess energetic interactions that depend not only on their separation but …
Nanoparticle dispersion and aggregation in polymer nanocomposites: insights from molecular dynamics simulation
It is a great challenge to fully understand the microscopic dispersion and aggregation of
nanoparticles (NPs) in polymer nanocomposites (PNCs) through experimental techniques …
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 …
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 …
which polymer chain ends are grafted, is described herein. In the bulk, at very low grafting …
Challenges in multiscale modeling of polymer dynamics
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 …
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …
Molecular theories of polymer nanocomposites
Significant progress towards the development of microscopic predictive theories of the
equilibrium structure, polymer-mediated interactions, and phase behavior of polymer …
equilibrium structure, polymer-mediated interactions, and phase behavior of polymer …