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      Novel Hybrid Polymer Composites with Graphene and MXene Nano-Reinforcements: Computational Analysis

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          Abstract

          This paper presents a computational analysis on the mechanical and damage behavior of novel hybrid polymer composites with graphene and MXene nano-reinforcements targeted for flexible electronics and advanced high-strength structural applications with additional functions, such as real-time monitoring of structural integrity. Geometrical models of three-dimensional representative volume elements of various configurations were generated, and a computational model based on the micromechanical finite element method was developed and solved using an explicit dynamic solver. The influence of the geometrical orientation, aspect ratio, and volume fractions of the inclusions, as well as the interface properties between the nano-reinforcements and the matrix on the mechanical behavior, was determined. The results of the presented research give initial insights about the mechanical and damage behavior of the proposed composites and provide insight for future design iterations of similar multifunctional materials.

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          Most cited references76

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          Two-dimensional nanocrystals produced by exfoliation of Ti3 AlC2.

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            Measurement of the elastic properties and intrinsic strength of monolayer graphene.

            We measured the elastic properties and intrinsic breaking strength of free-standing monolayer graphene membranes by nanoindentation in an atomic force microscope. The force-displacement behavior is interpreted within a framework of nonlinear elastic stress-strain response, and yields second- and third-order elastic stiffnesses of 340 newtons per meter (N m(-1)) and -690 Nm(-1), respectively. The breaking strength is 42 N m(-1) and represents the intrinsic strength of a defect-free sheet. These quantities correspond to a Young's modulus of E = 1.0 terapascals, third-order elastic stiffness of D = -2.0 terapascals, and intrinsic strength of sigma(int) = 130 gigapascals for bulk graphite. These experiments establish graphene as the strongest material ever measured, and show that atomically perfect nanoscale materials can be mechanically tested to deformations well beyond the linear regime.
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              25th anniversary article: MXenes: a new family of two-dimensional materials.

              Recently a new, large family of two-dimensional (2D) early transition metal carbides and carbonitrides, called MXenes, was discovered. MXenes are produced by selective etching of the A element from the MAX phases, which are metallically conductive, layered solids connected by strong metallic, ionic, and covalent bonds, such as Ti2 AlC, Ti3 AlC2 , and Ta4 AlC3 . MXenes -combine the metallic conductivity of transition metal carbides with the hydrophilic nature of their hydroxyl or oxygen terminated surfaces. In essence, they behave as "conductive clays". This article reviews progress-both -experimental and theoretical-on their synthesis, structure, properties, intercalation, delamination, and potential applications. MXenes are expected to be good candidates for a host of applications. They have already shown promising performance in electrochemical energy storage systems. A detailed outlook for future research on MXenes is also presented.
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                Author and article information

                Contributors
                Role: Academic Editor
                Journal
                Polymers (Basel)
                Polymers (Basel)
                polymers
                Polymers
                MDPI
                2073-4360
                25 March 2021
                April 2021
                : 13
                : 7
                : 1013
                Affiliations
                [1 ]Department of Mechanical Engineering, Kaunas University of Technology, Studentų st. 56, 51424 Kaunas, Lithuania; saule.kvietkaite@ 123456ktu.lt (S.K.); daiva.zeleniakiene@ 123456ktu.lt (D.Z.)
                [2 ]Department of Wind Energy, Technical University of Denmark, 2000 Roskilde, Denmark; lemi@ 123456dtu.dk
                [3 ]Polymer Institute, Slovak Academy of Sciences, Dúbravská cesta 9, 845 41 Bratislava 45, Slovakia; maria.omastova@ 123456savba.sk
                [4 ]Institute for Mechanics of Materials, University of Latvia, Jelgavas st. 3, LV-1004 Riga, Latvia; andrey.aniskevich@ 123456pmi.lv
                Author notes
                Author information
                https://orcid.org/0000-0003-2256-1477
                https://orcid.org/0000-0003-4302-1824
                https://orcid.org/0000-0003-3193-4212
                https://orcid.org/0000-0003-0210-5861
                https://orcid.org/0000-0003-1242-6570
                https://orcid.org/0000-0002-1241-0803
                Article
                polymers-13-01013
                10.3390/polym13071013
                8036473
                33805991
                30d9cc53-64ce-4f71-8c4e-98c8b5f77857
                © 2021 by the authors.

                Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ( http://creativecommons.org/licenses/by/4.0/).

                History
                : 15 February 2021
                : 24 March 2021
                Categories
                Article

                hybrid composites,mxene,graphene,modelling,damage
                hybrid composites, mxene, graphene, modelling, damage

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