Abstract
This work is aimed at the development of finite element models and prediction of the mechanical behavior of MXene nanosheets. Using LS-Dyna Explicit software, a finite element model was designed to simulate the nanoindentation process of a two-dimensional MXene Ti3C2Tz monolayer flake and to validate the material model. For the evaluation of the adhesive strength of the free-standing Ti3C2Tz-based film, the model comprised single-layered MXene nanosheets with a specific number of individual flakes, and the reverse engineering method with a curve fitting approach was used. The interlaminar shear strength, in-plane stiffness, and shear energy release rate of MXene film were predicted using this approach. The results of the sensitivity analysis showed that interlaminar shear strength and in-plane stiffness have the largest influence on the mechanical behavior of MXene film under tension, while the shear energy release rate mainly affects the interlaminar damage properties of nanosheets.
Highlights
IntroductionMXenes are transition metal carbides or nitrides produced by the etching of the A element from the MAX phases
A new class of two-dimensional (2D) nanomaterials, MXenes, was discovered in the last decade [1].MXenes are transition metal carbides or nitrides produced by the etching of the A element from the MAX phases
The aim of this study was to investigate the micromechanical behavior of MXene nanosheets developing finite element (FE) computational models
Summary
MXenes are transition metal carbides or nitrides produced by the etching of the A element from the MAX phases. Nanomaterials can be divided into two groups: hydrophilic but not conductive, such as transition metal oxides or clays; and conductive but not hydrophilic, such as graphene. Due to the combination of the electrical conductivity of transition metal carbides and the hydrophilicity of hydroxyl or oxygen-terminated surfaces, these MXenes behave as “conductive clays” [2]. MXenes have been widely investigated during the past few years. Elastic properties were obtained experimentally by nanoindentation with the tip of an atomic force microscope (AFM) and the elastic modulus of the most investigated MXene material, Ti3 C2 Tz , was obtained at 0.33 ± 0.03 TPa [8]
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