Special Issue "Multiscale Modeling and Simulation of Polymer-Based Composites"

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

Deadline for manuscript submissions: 30 April 2024 | Viewed by 1930

Special Issue Editors

State Key Laboratory of Material Processing and Die & Mold Technology, Huazhong University of Science and Technology, Wuhan 430074, China
Interests: polymer; polymer-based composites; thermodynamic property; polymer processing; molecular dynamics; computational fluid dynamics; finite element method
State Key Laboratory of Material Processing and Die & Mold Technology, Huazhong University of Science and Technology, Wuhan 430074, China
Interests: polymer processing; intelligent technologies and equipment; modeling; simulation; processing theory and method

Special Issue Information

Dear Colleagues, 

The structure of polymers and their composites is hierarchical and rich, from atoms and polymer chains to the multiphase structure of blends and fillers, and then, to melts. It is a complex multiscale system with characteristic sizes, from nanometers to millimeters, and characteristic times, from femtoseconds to seconds. Thus, multiscale modeling and simulation methods, including density functional theory, molecular dynamics, Brownian dynamics, dissipative particle dynamics, the lattice Boltzmann method, Monte Carlo, computational fluid dynamics, and the finite element method,  are the key to understand the complex behavior and various phy-chemical properties of polymers and their composites.

The aim of this Special Issue is to highlight progress in the multiscale modeling and simulation methods of polymers and their composites. Any reports and reviews covering the aspects of multiscale modeling and simulations are welcome, using methods including, but not limited to, those mentioned above. 

Dr. Maoyuan Li
Prof. Dr. Yun Zhang
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
  • polymer-based composite
  • computational modeling
  • molecular dynamics
  • computational fluid dynamics
  • finite element method

Published Papers (2 papers)

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Research

18 pages, 5042 KiB  
Article
Nanocomposites Based on Pyrolyzed Polyacrylonitrile Doped with FeCoCr/C Transition Metal Alloy Nanoparticles: Synthesis, Structure, and Electromagnetic Properties
Polymers 2023, 15(17), 3596; https://doi.org/10.3390/polym15173596 - 30 Aug 2023
Viewed by 526
Abstract
In the last decade, the development of new materials that absorb electromagnetic radiation (EMR) has received research interest as they can significantly enhance the performance of electronic devices and prevent adverse effects caused by electromagnetic pollution. Electromagnetic radiation absorbers with a low weight [...] Read more.
In the last decade, the development of new materials that absorb electromagnetic radiation (EMR) has received research interest as they can significantly enhance the performance of electronic devices and prevent adverse effects caused by electromagnetic pollution. Electromagnetic radiation absorbers with a low weight and small thickness of the absorber layer, good absorption capacity, and a wide frequency response bandwidth are highly demanded. Here, for the first time, the properties of polymer nanocomposites FeCoCr/C synthesized by doping FeCoCr alloy nanoparticles into a polymer matrix of pyrolyzed polyacrylonitrile are investigated. An analysis of the magnetic properties of FeCoCr/C nanocomposites showed that increasing the synthesis temperature increased the specific magnetization and coercive force values of the FeCoCr/C nanocomposites. The dependence between the ratio of metals in the precursor of pyrolyzed polyacrylonitrile and the electromagnetic and wave-absorbing properties of FeCoCr/C nanocomposites is considered, and the results of complex dielectric and magnetic permeability measurements are analyzed. It is found that the most promising of all the studied materials are those obtained at T = 700 °C with the ratio of metals Fe:Co:Cr = 35:35:30. Full article
(This article belongs to the Special Issue Multiscale Modeling and Simulation of Polymer-Based Composites)
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17 pages, 6779 KiB  
Article
A New Uniaxial Tensile Model for Foam Metal/Epoxy Interpenetrated Phase Composites
Polymers 2023, 15(4), 812; https://doi.org/10.3390/polym15040812 - 06 Feb 2023
Viewed by 951
Abstract
Foam metal/epoxy interpenetrating phase composite is a new type of composite material with interpenetrating continuity in composition, which exhibits different intrinsic relationships under different stress states in tension and compression, and it is necessary to study the intrinsic relationships in the tensile state [...] Read more.
Foam metal/epoxy interpenetrating phase composite is a new type of composite material with interpenetrating continuity in composition, which exhibits different intrinsic relationships under different stress states in tension and compression, and it is necessary to study the intrinsic relationships in the tensile state in depth. A mesoscopic damage-based tensile intrinsic model is developed, and the elasto-plastic tensile intrinsic equations of the representative volume element are derived based on small deformation theory and total strain theory, as well as the assumptions of equal stress and equal strain. The tensile strengths of nickel–iron foam/epoxy interpenetrated phase composites in three different sizes and their constituent phases were measured, and it was shown in the results that the composite of three-dimensional network interpenetration with high-strength foam metal and epoxy resin formed a weak surface inside the material, and did not significantly improve the tensile strength of the composites. The tensile instantonal equations and damage instantonal equations of nickel–iron foam/epoxy interpenetrated phase composites were predicted by the method of inversion, and the applicability and high accuracy of the tensile intrinsic model were verified in comparison with the measured results. Full article
(This article belongs to the Special Issue Multiscale Modeling and Simulation of Polymer-Based Composites)
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