Computational Modeling of Polymer Composites and Nanocomposites
A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Composites and Nanocomposites".
Deadline for manuscript submissions: 30 April 2026 | Viewed by 555
Special Issue Editors
Interests: computational modeling; polymer composites; nanocomposites; composition-structure-property relationship; coarse-grained molecular dynamics
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Polymer composites and nanocomposites underpin applications from aerospace structures and energy storage to flexible electronics and biomedicine, owing to their high specific stiffness/strength, tunable damping and barrier properties, and opportunities for multifunctionality. Despite this progress, key challenges remain: the deliberate design of hierarchical architectures, spatial heterogeneity and anisotropy; the establishment of predictive, quantitative process–composition–structure–property–performance linkages; and the incorporation of realistic manufacturing routes (e.g., additive manufacturing, curing, melt processing, interfacial modification) into process-aware design frameworks. Computational modeling is uniquely positioned to address these issues. Recent advances span quantum and reactive molecular simulations that capture interfacial bond breaking/formation; coarse-grained MD and dissipative particle dynamics for mesoscale morphology evolution; phase-field and micromechanical models for damage and fracture; and finite-element or FFT-based homogenization frameworks that connect microstructure to macroscopic response. Nevertheless, substantive gaps persist, such as the following: efficient simulation at experimentally relevant time and length scales; rigorous chemo-thermo-mechanical coupling (e.g., curing kinetics, vitrimer bond exchange, interphase formation and aging); robust, physics-preserving multiscale upscaling; and verification/validation with in situ characterization. In this Special Issue, we invite contributions that address these challenges and advance the state of the art in computational modeling of polymer composites and nanocomposites.
Dr. Zhaoxu Meng
Guest Editor
Dr. Zhangke Yang
Guest Editor Assistant
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 250 words) can be sent to the Editorial Office for assessment.
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
- computational modeling
- polymer composites
- nanocomposites
- composition-structure-property relationship
- heterogeneity and anisotropy
- coarse-grained molecular dynamics
- multiscale modeling
- chemo-thermo-mechanical coupling
- inverse design
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.
Further information on MDPI's Special Issue policies can be found here.
