Fully atomistic molecular dynamics simulation of chemically modified natural rubber with hydrogen-bonding network
Q Chen, W Huang, L Zhang, L Xi, J Liu - Polymer, 2023 - Elsevier
The incorporation of sacrificial hydrogen bonds is critical for the development of rubber
materials with exceptional properties. However, the molecular-level mechanism by which …
materials with exceptional properties. However, the molecular-level mechanism by which …
A synergistic effect of MXene/MWCNT enables self-healable and low percolation elastomer sensor: A combined experiment and all-atom molecular dynamics …
Z Fu, Q Chen, J He, S Li, R Ming, Y Wei, Y Xu… - … Science and Technology, 2023 - Elsevier
Flexible conductive composites have garnered significant interest as wearable strain
sensors due to their potential in diverse application fields, such as next-generation robotics …
sensors due to their potential in diverse application fields, such as next-generation robotics …
[HTML][HTML] Accelerating the design and development of polymeric materials via deep learning: Current status and future challenges
D Li, Y Ru, Z Chen, C Dong, Y Dong, J Liu - APL Machine Learning, 2023 - pubs.aip.org
The design and development of polymeric materials have been a hot domain for decades.
However, traditional experiments and molecular simulations are time-consuming and labor …
However, traditional experiments and molecular simulations are time-consuming and labor …
Insights into the solubility of H2 in various polyethylene matrices at high pressure: A coarse-grained MC/MD study
J Zhao, X Li, X Wang, Q Zhang, Q Yang, H Yin… - International Journal of …, 2023 - Elsevier
After isothermal crystallisation with coarse-grained (CG) molecular dynamics simulations,
the solubility of H 2 molecules in different amorphous/semi-crystalline polyethylene (PE) …
the solubility of H 2 molecules in different amorphous/semi-crystalline polyethylene (PE) …
Impact of Sacrificial Hydrogen Bonds on the Structure and Properties of Rubber Materials: Insights from All-Atom Molecular Dynamics Simulations
Q Chen, W Huang, L Zhang, Y Chen, J Liu - Langmuir, 2024 - ACS Publications
The inclusion of sacrificial hydrogen bonds is crucial for advancing high-performance rubber
materials. However, the molecular mechanisms governing the impact of these bonds on …
materials. However, the molecular mechanisms governing the impact of these bonds on …
The study of curing behavior and thermo-mechanical properties of epoxy adhesives with different anhydrides
Q Sheng, Q Chen, W Gu, R Wang, X Gu, J Liu, T Sun… - Polymer, 2024 - Elsevier
Anhydride-epoxy adhesives are prospective due to their lower viscosity, excellent bonding
strength, long life cycle, and great electrical properties. In this study, anhydride curing agents …
strength, long life cycle, and great electrical properties. In this study, anhydride curing agents …
Predicting the glass transition temperature and solubility parameter between rubber/silica and rubber/resins via all‐atom molecular dynamics simulation
Q Chen, Z Zhang, W Huang, JJ Qu… - Polymer …, 2024 - Wiley Online Library
Resin is a widely used additive in rubber composites, which not only improves the
processing properties of the composites but also enhances their mechanical properties …
processing properties of the composites but also enhances their mechanical properties …