Crosslinked dielectric materials for high-temperature capacitive energy storage

Y Tang, W Xu, S Niu, Z Zhang, Y Zhang… - Journal of Materials …, 2021 - pubs.rsc.org
Polymer film capacitors for energy storage applications at high temperature have shown
great potential in modern electronic and electrical systems such as those used in aerospace …

Benchmarking machine learning models for polymer informatics: an example of glass transition temperature

L Tao, V Varshney, Y Li - Journal of Chemical Information and …, 2021 - ACS Publications
In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the
glass transition temperature T g and other properties of polymers has attracted extensive …

Understanding and modeling polymers: The challenge of multiple scales

F Schmid - ACS Polymers Au, 2022 - ACS Publications
Polymer materials are multiscale systems by definition. Already the description of a single
macromolecule involves a multitude of scales, and cooperative processes in polymer …

[PDF][PDF] Machine learning discovery of high-temperature polymers

L Tao, G Chen, Y Li - Patterns, 2021 - cell.com
To formulate a machine learning (ML) model to establish the polymer's structure-property
correlation for glass transition temperature T g, we collect a diverse set of nearly 13,000 real …

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 …

Generative topographic mapping in drug design

D Horvath, G Marcou, A Varnek - Drug Discovery Today: Technologies, 2019 - Elsevier
This is a review article of Generative Topographic Mapping (GTM)–a non-linear
dimensionality reduction technique producing generative 2D maps of high-dimensional …

Machine learning with enormous “synthetic” data sets: Predicting glass transition temperature of polyimides using graph convolutional neural networks

IV Volgin, PA Batyr, AV Matseevich, AY Dobrovskiy… - ACS …, 2022 - ACS Publications
In the present work, we address the problem of utilizing machine learning (ML) methods to
predict the thermal properties of polymers by establishing “structure–property” relationships …

A binary resin system of epoxy and phenol-formaldehyde for improving the thermo-mechanical behavior of FRP composites

TQ Liu, R Wang, S Zhen, P Feng - Construction and Building Materials, 2023 - Elsevier
A binary resin system combing epoxy and phenol–formaldehyde is proposed for improving
the thermo-mechanical behavior of FRP composites. Five types of FRP plates with varying …

Understanding the role of cross-link density in the segmental dynamics and elastic properties of cross-linked thermosets

X Zheng, Y Guo, JF Douglas, W Xia - The Journal of Chemical Physics, 2022 - pubs.aip.org
Cross-linking is known to play a pivotal role in the relaxation dynamics and mechanical
properties of thermoset polymers, which are commonly used in structural applications …

Heat-Resistant Polymer Discovery by Utilizing Interpretable Graph Neural Network with Small Data

H Qiu, J Wang, X Qiu, X Dai, ZY Sun - Macromolecules, 2024 - ACS Publications
Polymers with exceptional heat resistance are critically valuable in numerous domains,
particularly as essential components of flexible organic light-emitting diodes. Among these …