Cross-linking effect on segmental dynamics of well-defined epoxy resins

A Shundo, M Aoki, S Yamamoto, K Tanaka - Macromolecules, 2021 - ACS Publications
Epoxy resins with a network structure, which are obtained by curing reactions of epoxy and
amine compounds, are an important class of thermosetting resins. We here report the …

Formation Mechanism of a Heterogeneous Network in Epoxy Resins

S Yamamoto, R Ida, M Aoki, R Kuwahara… - …, 2023 - ACS Publications
In general, the network structure formed in epoxy resins is heterogeneous, and its extent is
dependent on the curing temperature. Based on Fourier-transform infrared spectroscopy in …

Local chain dynamics and dynamic heterogeneity in cross-linked epoxy in the vicinity of glass transition

PH Lin, R Khare - Macromolecules, 2010 - ACS Publications
We studied the local chain dynamics as well as the dynamic heterogeneity in highly cross-
linked epoxy near glass transition by molecular dynamics simulation. In previous work (Lin …

Mesoscopic heterogeneity in the curing process of an epoxy–amine system

M Aoki, A Shundo, R Kuwahara, S Yamamoto… - …, 2019 - ACS Publications
Epoxy resins are composed of a three-dimensional network formed by chemical reactions
between epoxy and amino compounds, which plays an important role in the mechanical …

A molecular dynamics study of epoxy-based networks: cross-linking procedure and prediction of molecular and material properties

V Varshney, SS Patnaik, AK Roy, BL Farmer - Macromolecules, 2008 - ACS Publications
Molecular modeling of thermosetting polymers has been presented with special emphasis
on building atomistic models. Different approaches to build highly cross-linked polymer …

Highly cross-linked epoxy resins: an atomistic molecular dynamics simulation combined with a mapping/reverse mapping procedure

PV Komarov, C Yu-Tsung, C Shih-Ming… - …, 2007 - ACS Publications
This paper presents a new computational method for simulating polymer network formation.
There are four separate procedures involved in the methodology for this multiscale …

A molecular simulation approach to bond reorganization in epoxy resins: From curing to deformation and fracture

J Konrad, RH Meißner, E Bitzek, D Zahn - ACS Polymers Au, 2021 - ACS Publications
We model bond formation and dissociation processes in thermosetting polymer networks
from molecular dynamics simulations. For this, a coarsened molecular mechanics model is …

Multiscale simulation study on the curing reaction and the network structure in a typical epoxy system

H Liu, M Li, ZY Lu, ZG Zhang, CC Sun, T Cui - Macromolecules, 2011 - ACS Publications
We propose a multiscale simulation strategy to study the interplay between diffusion and
curing reaction on the network formation and the corresponding mechanical properties of …

Evolution of network topology of bifunctional epoxy thermosets during cure and its relationship to thermo-mechanical properties: A molecular dynamics study

C Li, A Strachan - Polymer, 2015 - Elsevier
Thermoset polymers are used for a wide range of application from large airframes to
microelectronics and fundamental understanding of the development of their 3D network …

Molecular modeling of crosslink distribution in epoxy polymers

A Bandyopadhyay, GM Odegard - Modelling and Simulation in …, 2012 - iopscience.iop.org
Experimental studies on epoxies report that the microstructure consists of highly crosslinked
localized regions connected with a dispersed phase of low-crosslink density epoxy …