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Accurate predictions of thermoset resin glass transition temperatures from all-atom molecular dynamics simulation.
Soft Matter. 2022 Oct 12;18(39):7550-7558. doi: 10.1039/d2sm00851c.
Soft Matter. 2022.
PMID: 36149371
Computational study of effect of radiation induced crosslinking on the properties of flattened carbon nanotubes.
Gaikwad PS, Kowalik M, van Duin A, Odegard GM.
Gaikwad PS, et al.
RSC Adv. 2022 Oct 11;12(45):28945-28953. doi: 10.1039/d2ra05550c. eCollection 2022 Oct 11.
RSC Adv. 2022.
PMID: 36320755
Free PMC article.
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Wetting Simulations of High-Performance Polymer Resins on Carbon Surfaces as a Function of Temperature Using Molecular Dynamics.
Bamane SS, Gaikwad PS, Radue MS, Gowtham S, Odegard GM.
Bamane SS, et al. Among authors: gaikwad ps.
Polymers (Basel). 2021 Jun 30;13(13):2162. doi: 10.3390/polym13132162.
Polymers (Basel). 2021.
PMID: 34208950
Free PMC article.
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Molecular Dynamics Modeling of Interfacial Interactions between Flattened Carbon Nanotubes and Amorphous Carbon: Implications for Ultra-Lightweight Composites.
Gaikwad PS, Kowalik M, Jensen BD, van Duin A, Odegard GM.
Gaikwad PS, et al.
ACS Appl Nano Mater. 2022 Apr 22;5(4):5915-5924. doi: 10.1021/acsanm.2c01280. Epub 2022 Apr 13.
ACS Appl Nano Mater. 2022.
PMID: 35492440
Free PMC article.
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