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A review on the application of molecular descriptors and machine learning in polymer design
Polymers are an important class of materials with vast arrays of physical and chemical
properties and have been widely used in many applications and industrial products …
properties and have been widely used in many applications and industrial products …
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 …
macromolecule involves a multitude of scales, and cooperative processes in polymer …
Lifetime estimation models and degradation mechanisms of elastomeric materials: A critical review
In this article, we review recent advances in elastomer degradation, focusing on four
fundamental mechanisms: thermal degradation, ozone degradation, thermo-oxidative …
fundamental mechanisms: thermal degradation, ozone degradation, thermo-oxidative …
Interpretable machine learning framework to predict the glass transition temperature of polymers
MJ Uddin, J Fan - Polymers, 2024 - mdpi.com
The glass transition temperature of polymers is a key parameter in meeting the application
requirements for energy absorption. Previous studies have provided some data from slow …
requirements for energy absorption. Previous studies have provided some data from slow …
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 …
particularly as essential components of flexible organic light-emitting diodes. Among these …
Machine learning prediction of glass transition temperature of conjugated polymers from chemical structure
Predicting the glass transition temperature (T g) is of critical importance as it governs the
thermomechanical performance of conjugated polymers (CPs). Here, we report a predictive …
thermomechanical performance of conjugated polymers (CPs). Here, we report a predictive …
[HTML][HTML] Understanding the role of cross-link density in the segmental dynamics and elastic properties of cross-linked thermosets
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 …
properties of thermoset polymers, which are commonly used in structural applications …
[HTML][HTML] Cartilage-inspired smart anti-impact gel with highly stable and tailored properties
J Cheng, Z Zhang, K Liu, C Ma, G Zhang - Cell Reports Physical Science, 2023 - cell.com
Smart anti-impact materials are desirable for personal protection and industrial security.
However, they often suffer from poor performance control and inherent stability issues. Here …
However, they often suffer from poor performance control and inherent stability issues. Here …
Application of machine learning to reveal relationship between processing-structure-property for polypropylene injection molding
FY Wu, J Yin, SC Chen, XQ Gao, L Zhou, Y Lu, J Lei… - Polymer, 2023 - Elsevier
Revealing relationship between processing–structure-property using machine learning (ML)
is beneficial to shorten the development cycle of polymer materials, which could be a …
is beneficial to shorten the development cycle of polymer materials, which could be a …
Reactive molecular dynamics study of hygrothermal degradation of crosslinked epoxy polymers
Epoxy thermosets are often exposed to high humidity environments in various applications,
undergoing reversible and irreversible degradation depending on the environment. This …
undergoing reversible and irreversible degradation depending on the environment. This …