Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based Nanocomposites
Because of the relatively high specific mechanical properties of LY556 epoxy resin, is often used as an important matrix for structural composites in high-performance applications. In the current study, an atomistic simulation based on molecular dynamics was performed to characterize the mechanical...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Semnan University
2025-04-01
|
| Series: | Mechanics of Advanced Composite Structures |
| Subjects: | |
| Online Access: | https://macs.semnan.ac.ir/article_8858_699a93d44c29f9298dece3ce276c103f.pdf |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832593569678884864 |
|---|---|
| author | Mohsen Ghiasvand Hamid Fazeli Jafar Eskandari Jam Abass Kebritchi |
| author_facet | Mohsen Ghiasvand Hamid Fazeli Jafar Eskandari Jam Abass Kebritchi |
| author_sort | Mohsen Ghiasvand |
| collection | DOAJ |
| description | Because of the relatively high specific mechanical properties of LY556 epoxy resin, is often used as an important matrix for structural composites in high-performance applications. In the current study, an atomistic simulation based on molecular dynamics was performed to characterize the mechanical properties of LY556 epoxy (EP) nanocomposites reinforced with graphene oxide (GO) nanoparticles. The stiffness matrix and elastic properties such as Young’s modulus, shear modulus, and Poisson’s ratio for the pure EP and EP/GO nanocomposites were estimated using the constant-strain method. Three distribution methods including ultrasonic with a probe, mechanical mixing with an ultrasonic cleaner, and a high-shear turbo mixer with an ultrasonic cleaner were employed. The role of the distribution method on the tensile behavior of epoxy reinforced with varying percentages of GO nanoparticles (0.3 and 0.5 wt. %) was investigated. In addition, X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) were employed to investigate the quality of GO distribution in nanocomposites. In the M3 method (the optimal method) the tensile strength of the EP/GO nanocomposite was increased about 15% (76 MPa) at 0.3 wt% and 22% (80 MPa) at 0.5 wt%. Moreover, the toughness of the EP/GO nanocomposite was improved by around 34% (1.37 J.m-3) and 50% (1.53 J.m-3) at 0.3 and 0.5 wt% respectively. |
| format | Article |
| id | doaj-art-c134235d96bf4c79b7f46f22fe28081d |
| institution | Kabale University |
| issn | 2423-4826 2423-7043 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | Semnan University |
| record_format | Article |
| series | Mechanics of Advanced Composite Structures |
| spelling | doaj-art-c134235d96bf4c79b7f46f22fe28081d2025-01-20T11:30:30ZengSemnan UniversityMechanics of Advanced Composite Structures2423-48262423-70432025-04-0112111512810.22075/macs.2024.32601.15958858Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based NanocompositesMohsen Ghiasvand0Hamid Fazeli1Jafar Eskandari Jam2Abass Kebritchi3Faculty of Materials & Manufacturing Technologies, Malek Ashtar University of Technology, Tehran, IranFaculty of Materials & Manufacturing Technologies, Malek Ashtar University of Technology, Tehran, IranFaculty of Materials & Manufacturing Technologies, Malek Ashtar University of Technology, Tehran, IranDepartment of Chemical Engineering, Imam Hossein Comprehensive University, Tehran, IranBecause of the relatively high specific mechanical properties of LY556 epoxy resin, is often used as an important matrix for structural composites in high-performance applications. In the current study, an atomistic simulation based on molecular dynamics was performed to characterize the mechanical properties of LY556 epoxy (EP) nanocomposites reinforced with graphene oxide (GO) nanoparticles. The stiffness matrix and elastic properties such as Young’s modulus, shear modulus, and Poisson’s ratio for the pure EP and EP/GO nanocomposites were estimated using the constant-strain method. Three distribution methods including ultrasonic with a probe, mechanical mixing with an ultrasonic cleaner, and a high-shear turbo mixer with an ultrasonic cleaner were employed. The role of the distribution method on the tensile behavior of epoxy reinforced with varying percentages of GO nanoparticles (0.3 and 0.5 wt. %) was investigated. In addition, X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) were employed to investigate the quality of GO distribution in nanocomposites. In the M3 method (the optimal method) the tensile strength of the EP/GO nanocomposite was increased about 15% (76 MPa) at 0.3 wt% and 22% (80 MPa) at 0.5 wt%. Moreover, the toughness of the EP/GO nanocomposite was improved by around 34% (1.37 J.m-3) and 50% (1.53 J.m-3) at 0.3 and 0.5 wt% respectively.https://macs.semnan.ac.ir/article_8858_699a93d44c29f9298dece3ce276c103f.pdfly556 epoxymolecular dynamicsgraphene oxidemechanical mixinghigh-shear turbo mixernanocomposite |
| spellingShingle | Mohsen Ghiasvand Hamid Fazeli Jafar Eskandari Jam Abass Kebritchi Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based Nanocomposites Mechanics of Advanced Composite Structures ly556 epoxy molecular dynamics graphene oxide mechanical mixing high-shear turbo mixer nanocomposite |
| title | Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based Nanocomposites |
| title_full | Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based Nanocomposites |
| title_fullStr | Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based Nanocomposites |
| title_full_unstemmed | Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based Nanocomposites |
| title_short | Molecular Dynamic Investigation of Graphene Oxide Presence and Three Experimental Distribution Methods in Reinforced Epoxy-Based Nanocomposites |
| title_sort | molecular dynamic investigation of graphene oxide presence and three experimental distribution methods in reinforced epoxy based nanocomposites |
| topic | ly556 epoxy molecular dynamics graphene oxide mechanical mixing high-shear turbo mixer nanocomposite |
| url | https://macs.semnan.ac.ir/article_8858_699a93d44c29f9298dece3ce276c103f.pdf |
| work_keys_str_mv | AT mohsenghiasvand moleculardynamicinvestigationofgrapheneoxidepresenceandthreeexperimentaldistributionmethodsinreinforcedepoxybasednanocomposites AT hamidfazeli moleculardynamicinvestigationofgrapheneoxidepresenceandthreeexperimentaldistributionmethodsinreinforcedepoxybasednanocomposites AT jafareskandarijam moleculardynamicinvestigationofgrapheneoxidepresenceandthreeexperimentaldistributionmethodsinreinforcedepoxybasednanocomposites AT abasskebritchi moleculardynamicinvestigationofgrapheneoxidepresenceandthreeexperimentaldistributionmethodsinreinforcedepoxybasednanocomposites |