[HTML][HTML] Filled Elastomers: Mechanistic and Physics-Driven Modeling and Applications as Smart Materials

W Xian, YS Zhan, A Maiti, AP Saab, Y Li - Polymers, 2024 - mdpi.com
Elastomers are made of chain-like molecules to form networks that can sustain large
deformation. Rubbers are thermosetting elastomers that are obtained from irreversible …

[HTML][HTML] Tutorial: AI-assisted exploration and active design of polymers with high intrinsic thermal conductivity

X Huang, S Ju - Journal of Applied Physics, 2024 - pubs.aip.org
Designing polymers with high intrinsic thermal conductivity (TC) is critically important for the
thermal management of organic electronics and photonics. However, this is a challenging …

Modulating thermal and electrical conductivities in polymers: An approach toward extracting molecular design rules through atomistic simulations

H Yokoyama, H Shimakawa, A Kumada… - Applied Physics …, 2024 - pubs.aip.org
Polymers are extensively employed in diverse industries, including electrical equipment and
electronic devices. Recent technological advancements have intensified the demand for …

A Framework for a High Throughput Screening Method to Assess Polymer/Plasticizer Miscibility

L Smith, HA Karimi-Varzaneh, S Finger… - arXiv preprint arXiv …, 2024 - arxiv.org
Polymer composite materials require softening to reduce their glass transition temperature
and improve processability. To this end, plasticizers, which are small organic molecules, are …

AI-assisted inverse design of sequence-ordered high intrinsic thermal conductivity polymers

X Huang, CY Zhao, H Wang, S Ju - arXiv preprint arXiv:2402.11600, 2024 - arxiv.org
Artificial intelligence (AI) promotes the polymer design paradigm from a traditional trial-and-
error approach to a data-driven style. Achieving high thermal conductivity (TC) for intrinsic …

Micromechanics of Thermal Conductive Composites: Review, Developments and Applications

G Wang, Y Huang, M Gao, Q Chen - Acta Mechanica Solida Sinica, 2024 - Springer
Micromechanics investigations of composites with fiber-shaped reinforcement are
extensively applied in the engineering design and theoretical analysis of thermal …

Full‐scale modeling of chemical experiments

J Wang, G Li - Smart Molecules, 2024 - Wiley Online Library
Computational chemistry methods are playing an increasingly pivotal role in chemical
experiments. From quantum chemistry simulations to finite element simulations, researchers …

Transfer Learning with Diffusion Model for Polymer Property Prediction

G Liu, M Jiang - Workshop on''Machine Learning for Materials''ICLR …, 2023 - openreview.net
Polymers are important and numerous. While the structure synthesis and property
annotation for polymers require expensive equipment and a long time of effort, small …

ポリマー中の熱伝導現象の解明に向けた分子動力学的アプローチ

横山尋斗, 嶋川肇, 熊田亜紀子… - 電気学会論文誌A (基礎 …, 2024 - jstage.jst.go.jp
抄録 Understanding thermal conduction mechanism in polymer insulating materials is
crucial for the development of insulating materials with high thermal conductivity (TC). This …