Investigation of polymer aging mechanisms using molecular simulations: A review

F Zhang, R Yang, D Lu - Polymers, 2023 - mdpi.com
Aging has a serious impact on the properties of functional polymers. Therefore, it is
necessary to study the aging mechanism to prolong the service and storage life of polymer …

Nanoengineering in biomedicine: current development and future perspectives

W Jian, D Hui, D Lau - Nanotechnology Reviews, 2020 - degruyter.com
Recent advances in biomedicine largely rely on the development in nanoengineering. As
the access to unique properties in biomaterials is not readily available from traditional …

[HTML][HTML] A high bonding performance and antibacterial soybean meal adhesive with Maillard reaction based cross-linked structure

Y Xu, X Huang, Y Zhang, Z Liu, J Luo, J Li, J Li… - Composites Part B …, 2021 - Elsevier
Environmentally friendly soybean meal-based (SM) adhesive has been developed to
replace harmful formaldehyde-based adhesives in the wood-based panel industry. But, the …

[HTML][HTML] Understanding on interlaminar nano-reinforcement induced mechanical performance improvement of carbon/carbon composites after silicon infiltration

C **ao, Q Song, Q Shen, T Wang, W **e - Composites Part B: Engineering, 2022 - Elsevier
In structural materials research, lightweight composites for extreme environments are
currently a hot issue. Although the layered architectural carbon/carbon (C/C) composites …

Deterioration of carbon fiber/matrix interface in humid environments and influence of silicon coupling agent modification: An atomistic investigation

W Guan, B Luo, W Han, H Suo, Y Niu, Z Wei… - Composite …, 2024 - Elsevier
Extended exposure to moisture could harm the carbon fiber/matrix interface, threatening
CFRP's reliability service. This paper introduces a method that develops molecular …

Glass fiber-epoxy interactions in the presence of silane: A molecular dynamics study

SC Chowdhury, R Prosser, TW Sirk, RM Elder… - Applied Surface …, 2021 - Elsevier
In this study, the interaction of epoxy resin with the glass fiber in the presence of monolayer
glycidoxypropyltrimethoxy silane is studied using molecular dynamics simulations. To …

[HTML][HTML] Composition optimization of a high-performance epoxy resin based on molecular dynamics and machine learning

K **, H Luo, Z Wang, H Wang, J Tao - Materials & Design, 2020 - Elsevier
Epoxy resin is a general term for a class of thermosetting polymers containing two or more
epoxy groups in the molecule and has an excellent comprehensive performance. The …

[HTML][HTML] Strain-rate dependent mode I cohesive traction laws for glass fiber-epoxy interphase using molecular dynamics simulations

SC Chowdhury, JW Gillespie Jr - Composites Part B: Engineering, 2022 - Elsevier
Using molecular dynamics (MD) simulations, we develop strain-rate dependent Mode-I
cohesive traction laws for the glass fiber-epoxy interphase as a function of interphase …

[HTML][HTML] First principles and molecular dynamics simulation investigation of mechanical properties of the PTFE/graphene composites

D Pan, K Zhu, Y Zhang, L Sun, X Hao - Composites Part B: Engineering, 2022 - Elsevier
In this study, the dynamic molecular structure changes in polytetrafluoroethylene (PTFE) and
PTFE/graphene composites under compression were investigated. The critical formation …

Molecular dynamics simulations on adhesion energy of PDMS-silica interface caused by molecular structures and temperature

P Gao, W Pu, P Wei, M Kong - Applied surface science, 2022 - Elsevier
Polydimethylsiloxane (PDMS)-silica interface commonly exists in adhesion system such as
wall-climbing robots. In order to develop PDMS materials with excellent adhesion properties …