Polymer informatics: Current status and critical next steps

L Chen, G Pilania, R Batra, TD Huan, C Kim… - Materials Science and …, 2021 - Elsevier
Artificial intelligence (AI) based approaches are beginning to impact several domains of
human life, science and technology. Polymer informatics is one such domain where AI and …

Recent Advances and Prospects in High‐Performance Bio‐Based Phthalonitrile Resins

BA Bulgakov, US Schubert - Advanced Functional Materials, 2024 - Wiley Online Library
Phthalontirile resins are renowned as the most heat‐resistant polymeric materials and
exhibit exceptional performance under harsh conditions. Consequently, phthalonitrile …

In situ synthesis of biomimetic silica nanofibrous aerogels with temperature‐invariant superelasticity over one million compressions

F Wang, L Dou, J Dai, Y Li, L Huang, Y Si… - Angewandte …, 2020 - Wiley Online Library
Resilient and compressible three‐dimensional nanomaterials comprising polymers, carbon,
and metals have been prepared in diverse forms. However, the creation of thermostable …

Dissipative particle dynamics simulation: A review on investigating mesoscale properties of polymer systems

J Wang, Y Han, Z Xu, X Yang… - Macromolecular …, 2021 - Wiley Online Library
Polymer systems have typical multiscale characteristics, both in space and time. The
mesoscopic properties of polymers are difficult to describe through traditional experimental …

Fast-Processable Non-Flammable phthalonitrile-modified novolac/carbon and glass fiber composites

D Poliakova, O Morozov, Y Lipatov, A Babkin… - Polymers, 2022 - mdpi.com
Phthalonitrile resins (PN) are known for their incredible heat resistance and at the same time
poor processability. Common curing cycle of the PN includes dozens hours of heating at …

Easy processable tris-phthalonitrile based resins and carbon fabric reinforced composites fabricated by vacuum infusion

MV Yakovlev, ME Kuchevskaia, VE Terekhov… - Materials Today …, 2022 - Elsevier
Easy-processable phthalonitrile resins were prepared from tris-phthalonitrile phosphate
monomer TPP (tris (3-(3, 4-dicyanophenoxy) phenyl) phosphate), bis-phthalonitrile RP (bis …

MULTICOMP package for multilevel simulation of polymer nanocomposites

MA Akhukov, VA Chorkov, AA Gavrilov… - Computational Materials …, 2023 - Elsevier
We present a MULTICOMP package developed for multiscale modeling of polymer-based
nanomaterials. The package implements GUI-based tools for the automatic construction of …

Magnetoresponsive smart nanocomposites with highly cross‐linked polymer matrix

PV Komarov, PG Khalatur… - Polymers for Advanced …, 2021 - Wiley Online Library
We propose a coarse‐grained model, which is used for mesoscale simulation of
nanocomposites based on a highly cross‐linked polymer network with embedded magnetic …

Accounting for π–π stacking interactions in the mesoscopic models of conjugated polymers

VY Rudyak, AA Gavrilov, DV Guseva… - … Systems Design & …, 2020 - pubs.rsc.org
Conjugated polymer films play a decisive role in the construction of photoactive elements in
organic electronic devices. Their morphology is mainly determined by self-assembly …

Bis (4-cyanophenyl) phenyl phosphate as viscosity reducing comonomer for phthalonitrile resins

VE Terekhov, VV Aleshkevich, ES Afanaseva… - Reactive and Functional …, 2019 - Elsevier
Abstract Bis (4-cyanophenyl) phenyl phosphate (CPP) is introduced for the first time as a
viscosity reducing comonomer for phthalonitrile resins. In comparison to the common …