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Polymers
Special Issues
Processing, Characterization and Modeling of Polymer Nanocomposites
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Processing, Characterization and Modeling of Polymer Nanocomposites

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Composites and Nanocomposites".

Deadline for manuscript submissions: 15 September 2024 | Viewed by 555

Special Issue Editors

Dr. Zhaoxu Meng

E-Mail Website
Guest Editor
School of Mechanical and Automotive Engineering, Clemson University, Clemson, SC 29631, USA
Interests: multiscale modeling and simulation of materials
Special Issues, Collections and Topics in MDPI journals
Dr. Lihua Lou

E-Mail Website
Guest Editor
Department of Mechanical and Materials Engineering, Florida International University, Miami, FL, USA
Interests: nanocomposites manufacturing; applications; engineering nanomaterial design; biomaterials mechanics
Prof. Dr. Hongseok Choi

E-Mail Website1 Website2
Guest Editor
School of Mechanical and Automotive Engineering, Clemson University, Clemson, SC 29631, USA
Interests: scalable nanomanufacturing; advanced material processing; micro- and nanosensors; nanocomposites; nanofibers
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Polymer nanocomposites have emerged as highly versatile advanced materials, offering many application possibilities across various fields, such as advanced structural materials, packaging, electronics, sensors, energy storage, and coatings. This surge in application potential has spurred significant research efforts into the processing, characterization, and modeling of polymer nanocomposites. This Special Issue aims to gather cutting-edge research in the broad field of polymer nanocomposites, encompassing diverse topics such as the efficient and effective processing of polymers and nanocomposites, comprehensive characterization of their structural, physical, and mechanical properties, and advanced computational modeling to enhance understanding of underlying mechanisms and structure–property relationships. We welcome original research articles, reviews, and short communications that delve into these areas. In particular, we encourage interdisciplinary approaches that integrate insights from materials science, physics, chemistry, and engineering and studies aiming to comprehensively elucidate the processing-structure-property relationships of polymer nanocomposites. By bringing together diverse perspectives and methodologies, this Special Issue seeks to advance the state-of-the-art field of polymer nanocomposites and pave the way for future innovations and applications.

Dr. Zhaoxu Meng
Dr. Lihua Lou
Prof. Dr. Hongseok Choi
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Polymers is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • polymer nanocomposites
  • advanced processing
  • experimental characterization
  • computational modeling
  • processing structure–property relationship

Published Papers (1 paper)

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Research

16 pages, 6556 KiB  
Article
Unveiling the Nanoconfinement Effect on Crystallization of Semicrystalline Polymers Using Coarse-Grained Molecular Dynamics Simulations
by Ji Yang, Yitong Chen, Zhangke Yang, Linjiale Dai, Hongseok Choi and Zhaoxu Meng
Polymers 2024, 16(8), 1155; https://doi.org/10.3390/polym16081155 - 19 Apr 2024
Viewed by 417
Abstract
Semicrystalline polymers under nanoconfinement show distinct structural and thermomechanical properties compared to their bulk counterparts. Despite extensive research on semicrystalline polymers under nanoconfinement, the nanoconfinement effect on the local crystallization process and the unique structural evolution of such polymers have not been fully [...] Read more.
Semicrystalline polymers under nanoconfinement show distinct structural and thermomechanical properties compared to their bulk counterparts. Despite extensive research on semicrystalline polymers under nanoconfinement, the nanoconfinement effect on the local crystallization process and the unique structural evolution of such polymers have not been fully understood. In this study, we unveil such effects by using coarse-grained molecular dynamics simulations to study the crystallization process of a model semicrystalline polymer—polyvinyl alcohol (PVA)—under different levels of nanoconfinement induced by nanoparticles that are represented implicitly. We quantify in detail the evolution of the degree of crystallinity (XC) of PVA and examine distinct crystalline regions from simulation results. The results show that nanoconfinement can promote the crystallization process, especially at the early stage, and the interfaces between nanoparticles and polymer can function as crystallite nucleation sites. In general, the final XC of PVA increases with the levels of nanoconfinement. Further, nanoconfined cases show region-dependent XC with higher and earlier increase of XC in regions closer to the interfaces. By tracking region-dependent XC evolution, our results indicate that nanoconfinement can lead to a heterogenous crystallization process with a second-stage crystallite nucleation in regions further away from the interfaces. In addition, our results show that even under very high cooling rates, the nanoconfinement still promotes the crystallization of PVA. This study provides important insights into the underlying mechanisms for the intricate interplay between nanoconfinement and the crystallization behaviors of semicrystalline polymer, with the potential to guide the design and characterization of semicrystalline polymer-based nanocomposites. Full article
(This article belongs to the Special Issue Processing, Characterization and Modeling of Polymer Nanocomposites)
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