Multi-Scale Modeling of Graphene/Polymer Nanocomposites-Molecular Interfacial Interactions
نویسندگان
چکیده
This paper presents a multi-scale modeling approach involving interfacial interactions to predict the elastic properties and mechanical behavior of single-layer graphene-reinforced nanocomposites under tension load. A model was developed using finite element method tripartite structure consisting graphene in epoxy, region their Van Der Walls interactions. The effect chirality investigated by proposing methodology graphene-Van interactions-polymer with determined geometric dimensions. Parametric performed between Walls, interface material atoms finiteelement molecular mechanics approach. Numerical analysis nanoparticles embedding them an epoxy real dimensions is not appropriate task today. In particular, it possible analyze these as multiple randomly dispersing polymer. Therefore, this research, overcome problem investigate on loads different axes. results show that armchair geometry give higher stress values behave more rigidly. As volume ratio increases, performances increase. It seen direction much stronger than thickness direction. clear has slight tensile behavior.
منابع مشابه
Multi-Scale Molecular Modeling of Rosette Nanotubes
Rosette nanotubes (RNTs) are supramolecular nanomaterials formed through a network of non-covalent interactions, such as hydrogen bonds, π-π interactions, and hydrophobic effects. They form from Watson-Crick inspired guanine-cytosine (G∧C) motifs, which undergo hierarchical self-assembly to form supermacrocycles, also called rosettes. The latter self-organize into ring stacks (RSs) or helical c...
متن کاملInterfacial Studies of Cellulose Whisker Polymer Nanocomposites
The molecular deformation of cotton cellulose whisker/epoxy resin (CW/EP) and tunicate whisker/poly(vinyl) acetate (TW/PVAc) composites were investigated using Raman spectroscopy. A shift in the 1095 cm Raman peak position is recorded for samples deformed in both tension and compression, which corresponds to the molecular deformation of the cellulose chains within the whiskers. Cyclic molecular...
متن کاملTuning Interface via Multi-scale Modeling for Superior Carbon Nanotube-polymer Nanocomposites/ Yarns
This study is concerned with finding an improved route to achieve superior properties of carbon nanotube (CNT)-reinforced nanocomposites by designing their interface using multi-scale modeling. CNTs, widely used as fillers in nanocomposites, and polymer epoxy matrices, are coarse-grained and simulated via dissipative particle dynamics. Then, reverse-mapping of the coarse-grained models into ato...
متن کاملInfluence of Polymer-Clay Interfacial Interactions on the Ignition Time of Polymer/Clay Nanocomposites
Metal ions present on smectite clay (montmorillonite) platelets have preferential reactivity towards peroxy/alkoxy groups during polyamide 6 (PA6) thermal decomposition. This changes the decomposition pathway and negatively affects the ignition response of PA6. To restrict these interfacial interactions, high-temperature-resistant polymers such as polyetherimide (PEI) and polyimide (PI) were us...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: International scientific and vocational studies journal
سال: 2021
ISSN: ['2618-5938']
DOI: https://doi.org/10.47897/bilmes.957313