Competing effects of cohesive energy and cross-link density on the segmental dynamics and mechanical properties of cross-linked polymers

X Zheng, Y Guo, JF Douglas, W **a - Macromolecules, 2022 - ACS Publications
To develop structure–property relationships for cross-linked thermosetting polymers, it is
crucial to better understand key factors that control their segmental dynamics and …

Comparison of friction parametrization from dynamics and material properties for a coarse-grained polymer melt

LC Johnson, FR Phelan Jr - The Journal of Physical Chemistry B, 2023 - ACS Publications
In this work, we extend an approach to coarse-grained (CG) modeling for polymer melts in
which the conservative potential is parametrized using the iterative Boltzmann inversion (IBI) …

Influence of chain stiffness on the segmental dynamics and mechanical properties of cross-linked polymers

X Zheng, W Nie, Y Guo, JF Douglas, W **a - Macromolecules, 2023 - ACS Publications
We extend previous systematic investigations of a family of model coarse-grained polymer
network-forming materials by focusing on the influence of varying molecular rigidity on basic …

Understanding the role of chain stiffness in the mechanical response of cross-linked polymer: Flexible vs. semi-flexible chains

X Zheng, W **a, Y Zhang - Extreme Mechanics Letters, 2024 - Elsevier
Cross-linked polymers are widely used in structural, engineering, and biomedical
applications due to their lightweight and superior properties. Although chain bending …

Robust estimates of solute diffusivity in polymers for predicting patient exposure to medical device leachables

RM Elder, DM Saylor - Journal of Polymer Science, 2023 - Wiley Online Library
Medical devices often include polymeric components, which contain additives or
contaminants that may leach into patients and pose a health risk. Previously, we proposed a …

Role of additive size in the segmental dynamics and mechanical properties of cross-linked polymers

X Zheng, L Xu, JF Douglas, W **a - Nanoscale, 2024 - pubs.rsc.org
Thermoset materials often involve the addition of molecular and nanoparticle additives to
alter various chemo-physical properties of importance in their ultimate applications. The …

Photoisomerization and local stability in molecular and polymer-network glasses

KM Salerno, JL Lenhart, J de Pablo… - Molecular Systems Design …, 2023 - pubs.rsc.org
Although experiments have shown that photoactive molecules can actuate mechanical and
optical responses in soft materials, previous computational studies of the photoresponsive …

Improvement of a Time-of-Flight Spectrometer AGNES at JRR-3 Using Supermirror Techniques

H Akiba, Y Ohmasa, M Kofu, M Zhang… - Journal of the Physical …, 2024 - journals.jps.jp
AGNES is a direct geometry chopper-type time-of-flight neutron spectrometer installed at the
cold neutron guide (C3-1-1) of JRR-3 (Tokai, Japan). This instrument is well-suited for …