Moving Beyond the Ideas: Design, Modeling and Simulation to Engineer Products With Tailored Properties

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

Deadline for manuscript submissions: closed (15 July 2022) | Viewed by 11670

Special Issue Editors

Institute of Polymers, Composites and Biomaterials, National Research Council of Italy, 80125 Naples, Italy
Interests: design for additive manufacturing; reverse engineering; design methods; creative design; mechanical analysis; modeling and simulation; biomechanics; biomimetics; design of polymer and composite structures; scaffold design; design of lightweight structures
Special Issues, Collections and Topics in MDPI journals
IPCB-CNR Institute for Polymers, Composites and Biomaterials – National Research Council of Italy, V.le J.F. Kennedy, 24 Mostra D’Oltremare Pad. 20, 8015 Naples, Italy
Interests: polymer based composites; nanocomposites; additive manufacturing; fused deposition modelling; stereolithography; finite element analysis; bone; dentine; scaffolds; Prostheses
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Design is the main creative activity of engineering, and polymer-based materials have become popular in different fields.

The design of devices with complex architectural features and tailored functional properties is possible using innovative and creative engineering methods to generate all possible design configurations, meeting design requirements and constraints.

Conceptual design may be considered as the first phase of design. This phase provides a description of the proposed device in terms of a set of integrated ideas and concepts about its structure, function, and behavior.

In this scenario, finite element analysis (FEA) plays an important role and represents the core of mechanical engineering as well as of different disciplines.

Using a numerical technique, which is generally referred to as finite element method (FEM), FEA allows simulating physical phenomena.

It is through the combination of design, modeling, and simulation strategies that the present Special Issue is aimed at presenting methods to engineer advanced devices for different kinds of applications.

Accordingly, in the current Special Issue, we invite authors to submit papers with the aim of providing a complete view of the current progresses.

With a focus on polymer-based materials, potential topics include but are not limited to the following:

  • Design methods
  • Conceptual design
  • Creative design
  • Design of experiments
  • Design for additive manufacturing
  • 3D/4D Printing
  • Manufacturing process
  • Lattice structures
  • Lightweight structures
  • Biomimetics and bioinspiration
  • Topology optimization
  • Computational design
  • Artificial intelligence methods
  • Computer-aided design
  • Computer-aided engineering
  • Reverse engineering
  • Finite element analysis
  • Modeling and simulation
  • Scaffold design for tissue engineering
  • Prosthesis design
  • Design of advanced devices

Prof. Dr. Antonio Gloria
Prof. Dr. Roberto De Santis
Guest Editors

Manuscript Submission Information

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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.

Published Papers (5 papers)

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Research

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21 pages, 4827 KiB  
Article
Computationally Efficient Concept of Representative Directions for Anisotropic Fibrous Materials
by Alexey Shutov, Alexander Rodionov, Dmitri Ponomarev and Yana Nekrasova
Polymers 2022, 14(16), 3314; https://0-doi-org.brum.beds.ac.uk/10.3390/polym14163314 - 15 Aug 2022
Cited by 1 | Viewed by 1118
Abstract
The concept of representative directions allows for automatic generation of multi-axial constitutive equations, starting from simplified uni-axial material models. In this paper, a modification of the concept is considered suitable for the analysis of fibrous polymeric materials, which are anisotropic in the as-received [...] Read more.
The concept of representative directions allows for automatic generation of multi-axial constitutive equations, starting from simplified uni-axial material models. In this paper, a modification of the concept is considered suitable for the analysis of fibrous polymeric materials, which are anisotropic in the as-received state. The modification of the concept incorporates an orientation probability density function (OPDF), which explicitly accounts for the material anisotropy. Two versions of the concept are available. The first version utilizes the homogeneous distribution of the representative directions, with the entire anisotropy being contained in the weighting factors. The second encapsulates the anisotropy in the distribution of the representative directions. Due to its nature, the second version allows for a more efficient use of computational power. To promote this efficient version of the concept, we present new algorithms generating required sets of representative directions that match a given OPDF. These methods are based (i) on the minimization of a potential energy, (ii) on the equilibration method, and (iii) on the use of Voronoi cells. These three methods are tested and compared in terms of various OPDFs. The applicability of the computationally efficient modeling method to mechanical behavior of an anisotropic polymeric material is demonstrated. In particular, a calibration procedure is suggested for the practically important case when the OPDF is not known a-priori. Full article
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17 pages, 3270 KiB  
Article
A Mixed Iteration Method to Determine the Linear Material Parameters in the Study of Creep Behavior of the Composites
by Mostafa Katouzian, Sorin Vlase and Maria Luminița Scutaru
Polymers 2021, 13(17), 2907; https://0-doi-org.brum.beds.ac.uk/10.3390/polym13172907 - 29 Aug 2021
Cited by 2 | Viewed by 1249
Abstract
This paper presents and applies a mixed iteration method to determine the nonlinear parameters of the material used to study a composite’s creep behavior. To describe the research framework, we made a synthetic presentation of the viscoelastic behavior of composite materials by applying [...] Read more.
This paper presents and applies a mixed iteration method to determine the nonlinear parameters of the material used to study a composite’s creep behavior. To describe the research framework, we made a synthetic presentation of the viscoelastic behavior of composite materials by applying classical models. Further, the presented method was based on a calculation algorithm and program, which was applied on several types of materials. In a consecutive procedure of experiments and calculations, we determined the material parameters of the studied materials. The method was further applied to two composite materials in which the nonlinearity factors at different temperatures were determined. Full article
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18 pages, 3343 KiB  
Article
Finite Element Method-Based Simulation Creep Behavior of Viscoelastic Carbon-Fiber Composite
by Mostafa Katouzian, Sorin Vlase and Maria Luminita Scutaru
Polymers 2021, 13(7), 1017; https://0-doi-org.brum.beds.ac.uk/10.3390/polym13071017 - 25 Mar 2021
Cited by 14 | Viewed by 2480
Abstract
Usually, a polymer composite with a viscoelastic response matrix has a creep behavior. To predict this phenomenon, a good knowledge of the properties and mechanical constants of the material becomes important. Schapery’s equation represents a basic relation to study the nonlinear viscoelastic creep [...] Read more.
Usually, a polymer composite with a viscoelastic response matrix has a creep behavior. To predict this phenomenon, a good knowledge of the properties and mechanical constants of the material becomes important. Schapery’s equation represents a basic relation to study the nonlinear viscoelastic creep behavior of composite reinforced with carbon fiber (matrix made by polyethrtethrtketone (PEEK) and epoxy resin). The finite element method (FEM) is a classic, well known and powerful tool to determine the overall engineering constants. The method is applied to a fiber one-directional composite for two different applications: carbon fibers T800 reinforcing an epoxy matrix Fibredux 6376C and carbon fibers of the type IM6 reinforcing a thermoplastic material APC2. More cases have been considered. The experimental results provide a validation of the proposed method and a good agreement between theoretical and experimental results. Full article
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23 pages, 7392 KiB  
Article
An Integrated Approach to Design and Develop High-Performance Polymer-Composite Thermal Interface Material
by Syed Sohail Akhtar
Polymers 2021, 13(5), 807; https://0-doi-org.brum.beds.ac.uk/10.3390/polym13050807 - 06 Mar 2021
Cited by 11 | Viewed by 2186
Abstract
A computational framework based on novel differential effective medium approximation and mean-field homogenization is used to design high-performance filler-laden polymer thermal interface materials (TIMs). The proposed design strategy has the capability to handle non-dilute filler concentration in the polymer matrix. The effective thermal [...] Read more.
A computational framework based on novel differential effective medium approximation and mean-field homogenization is used to design high-performance filler-laden polymer thermal interface materials (TIMs). The proposed design strategy has the capability to handle non-dilute filler concentration in the polymer matrix. The effective thermal conductivity of intended thermal interface composites can be tailored in a wide range by varying filler attributes such as size, aspect ratio, orientation, as well as filler–matrix interface with an upper limit imposed by the shear modulus. Serval potential polymers and fillers are considered at the design stage. High-density polyethylene (HDPE) and thermoplastic polyurethane (TPU) with a non-dilute concentration (~60 vol%) of ceramic fillers exhibit high thermal conductivity (4–5 W m−1 K−1) without compromising the high compliance of TIMs. The predicted thermal conductivity and coefficient of thermal expansion are in excellent agreement with measured data of various binary composite systems considering HDPE, TPU, and polypropylene (PP) loaded with Al2O3 and AlN fillers in varying sizes, shapes, and concentrations, prepared via the melt-mixing and compression-molding route. The model also validates that manipulating filler alignment and aspect ratio can significantly contribute to making heat-conducting networks in composites, which results in ultra-high thermal conductivity. Full article
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Review

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29 pages, 1791 KiB  
Review
Prospect of DFT Utilization in Polymer-Graphene Composites for Electromagnetic Interference Shielding Application: A Review
by Jonathan Tersur Orasugh and Suprakash Sinha Ray
Polymers 2022, 14(4), 704; https://0-doi-org.brum.beds.ac.uk/10.3390/polym14040704 - 11 Feb 2022
Cited by 8 | Viewed by 3586
Abstract
The improvement in current materials science has prompted a developing need to capture the peculiarities that determine the properties of materials and how they are processed on an atomistic level. Quantum mechanics laws control the interface among atoms and electrons; thus, exact and [...] Read more.
The improvement in current materials science has prompted a developing need to capture the peculiarities that determine the properties of materials and how they are processed on an atomistic level. Quantum mechanics laws control the interface among atoms and electrons; thus, exact and proficient techniques for fixing the major quantum-mechanical conditions for complex many-particle, many-electron frameworks should be created. Density functional theory (DFT) marks an unequivocal advance in these endeavours. DFT has had a rapid influence on quintessential and industrial research during the last decade. The DFT system describes periodic structural systems of 2D or 3D electronics with the utilization of Bloch’s theorem in the direction of Kohn–Sham wavefunctions for the significant facilitation of these schemes. This article introduces and discusses the infinite systems modelling approach required for graphene-based polymer composites or their hybrids. Aiming to understand electronic structure computations as per physics, the impressions of band structures and atomic structure envisioned along with orbital predicted density states are beneficial. Convergence facets coupled with the basic functions number and the k-points number are necessary to explain for every physicochemical characteristic in these materials. Proper utilization of DFT in graphene-based polymer composites for materials in EMI SE presents the potential of taking this niche to unprecedented heights within the next decades. The application of this system in graphene-based composites by researchers, along with their performance, is reviewed. Full article
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