Effect of inorganic material surface chemistry on structures and fracture behaviours of epoxy resin

T Miyata, YK Sato, Y Kawagoe, K Shirasu… - Nature …, 2024 - nature.com
The mechanisms underlying the influence of the surface chemistry of inorganic materials on
polymer structures and fracture behaviours near adhesive interfaces are not fully …

Uncovering the mechanism of size effect on the thermomechanical properties of highly cross-linked epoxy resins

Y Zhao, G Kikugawa, Y Kawagoe… - The Journal of …, 2022 - ACS Publications
Epoxy resins are widely used as matrix resins, especially for carbon-fiber-reinforced plastic,
due to their outstanding physical and mechanical properties. To date, most research into …

Multiscale modeling of process-induced residual deformation on carbon-fiber-reinforced plastic laminate from quantum calculation to laminate scale finite-element …

Y Kawagoe, K Kawai, Y Kumagai, K Shirasu… - Mechanics of …, 2022 - Elsevier
Multiscale modeling, comprising quantum-chemical reaction path calculation, curing
molecular dynamics (MD) simulation, microscopic finite-element analysis (FEA), and …

Multiscale model for failure prediction of carbon-fiber-reinforced composites under off-axis load

T Watanabe, Y Kawagoe, K Shirasu, T Okabe - International Journal of …, 2023 - Elsevier
Herein, a multiscale model comprising a quantum-chemical reaction path calculations,
molecular dynamics (MD) simulations, and filament and laminate scale finite-element …

Constructing and characterizing various multi-component crosslinked epoxy resins based on molecular dynamics simulations with a curing reaction model

Y Zhao, G Kikugawa, K Shirasu, Y Kawagoe, T Okabe - Polymer, 2024 - Elsevier
Epoxy resins are extensively used as the matrix for carbon-fiber-reinforced plastic (CFRP) in
commercial airplanes due to their outstanding thermomechanical properties. Until now, few …

[HTML][HTML] Multiscale model for bottom-up prediction of failure parameters of unidirectional carbon-fiber-reinforced composite lamina from the atomic to filament-scales …

T Watanabe, Y Kawagoe, Y Hoshikawa, Y Nakai… - International Journal of …, 2025 - Elsevier
A multiscale model is developed to comprehensively predict the failure parameters
associated with the elasto-plasticity of a unidirectional carbon-fiber-reinforced composite …

Length effect of short base resin on thermomechanical properties of crosslinked epoxy resin via molecular dynamics simulation

Y Zhao, G Kikugawa, Z Huang, Y Li - International Journal of Heat and Mass …, 2024 - Elsevier
Epoxy resin is commonly used as the matrix in carbon fiber-reinforced polymer (CFRP),
fabricated through the curing reaction of the base resin and curing agent, whose properties …

Dissipative particle dynamics simulation for reaction-induced phase separation of thermoset/thermoplastic blends

Y Kawagoe, G Kikugawa, K Shirasu… - The Journal of …, 2024 - ACS Publications
Reaction-induced phase separation occurs during the curing reaction when a thermoplastic
resin is dissolved in a thermoset resin, which enables toughening of the thermoset resin. As …

Effects of the chain length of nonaromatic epoxy resins on thermomechanical and optical properties: experiments, and ab initio and molecular dynamics simulations

Y Kawagoe, Y Kinugawa, K Matsumoto… - Physical Chemistry …, 2024 - pubs.rsc.org
Epoxy resin has been extensively used in the field of advanced electronic materials as an
adhesive and encapsulant owing to its excellent material properties. However, recently …

A molecular dynamics simulation for thermal activation process in covalent bond dissociation of a crosslinked thermosetting polymer

N Yamada, Y Oya, N Kato, K Mori, J Koyanagi - Molecules, 2023 - mdpi.com
A novel algorithm for covalent bond dissociation is developed to accurately predict fracture
behavior of thermosetting polymers via molecular dynamics simulation. This algorithm is …