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 …

Atomic surface achieved through a novel cross-scale model from macroscale to nanoscale

F Zhao, Z Zhang, X Deng, J Feng, H Zhou, Z Liu… - Nanoscale, 2024 - pubs.rsc.org
Chemical mechanical polishing (CMP) is widely used to achieve an atomic surface globally,
yet its cross-scale polishing mechanisms are elusive. Moreover, traditional CMP normally …

Classical, coarse-grained, and reactive molecular dynamics simulations on polymer nanocomposites

I Jeon, T Yun, S Yang - Multiscale Science and Engineering, 2022 - Springer
Polymer-based nanocomposites have been one of the most spotlighted multifunctional
condensed materials with the rapidly growing advancement of nanotechnology. Owing to …

Nondestructive 3D Imaging of Microscale Damage inside Polymers—Based on the Discovery of Self‐Excited Fluorescence Effect Induced by Electrical Field

W Sima, X Tang, P Sun, Z Sun, T Yuan… - Advanced …, 2023 - Wiley Online Library
The development of high‐precision, non‐destructive, and three‐dimensional (3D) in situ
imaging of micro‐scale damage inside polymers is extremely challenging. Recent reports …

Machine learning analysis of a large set of homopolymers to predict glass transition temperatures

GM Casanola-Martin, A Karuth, H Pham-The… - Communications …, 2024 - nature.com
Glass transition temperature of polymers, Tg, is an important thermophysical property, which
sometimes can be difficult to measure experimentally. In this regard, data-driven machine …

Distinct photooxidation and interface degradation of waterborne epoxy resin coatings on mortar substrate affected by bulk water

Y Dai, R Wen, C Zhao, A Al-Mansour, C Xu, L Li… - Polymer Degradation …, 2024 - Elsevier
Epoxy-based coatings are widely used in engineering but are prone to degrade under
aggressive environmental actions, especially in hygrothermal environments. However, the …

Combined Machine Learning, Computational, and Experimental Analysis of the Iridium (III) Complexes with Red to Near-Infrared Emission

A Karuth, GM Casanola-Martin, L Lystrom… - The Journal of …, 2024 - ACS Publications
Various coordination complexes have been the subject of experimental and theoretical
studies in recent decades because of their fascinating photophysical properties. In this work …

Machine learning prediction models for investigating vibration properties of epoxy resin under moisture conditions

G Cai, D Zhang, J Hou, D Lau, R Qin, W Wang… - International Journal of …, 2024 - Elsevier
Epoxy resins used in engineering applications are commonly exposed to wet environment
during intended service life, which causes vibration property degradation and increasing risk …

The effect of water sorption on the calorimetric signature of aging in DGEBA epoxies

SJ Comeau, JD McCoy, JM Kropka - Polymer Degradation and Stability, 2023 - Elsevier
Epoxies hygrothermally aged in the relatively benign environment of a climate controlled
experimental laboratory display a broad endothermic signature which extends from as much …

Study on the UV aging resistance of ZnO‐modified epoxy resin by experiments and MD simulation

H Zhang, X Chu, Q Ding, G Zhao… - Polymer Engineering & …, 2024 - Wiley Online Library
This study investigates the impact of zinc oxide nanoparticles on epoxy resin systems and
the ultraviolet (UV) aging resistance of modified epoxy resin composites using molecular …