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کاربرد نوع شرط:
- جایگاه : پژوهشی
- مجله: Mechanics of Advanced Composite Structures
- نوع مقاله: Journal Article
- کلمات کلیدی: Nanocomposite,Mechanical properties,Molecular Dynamics,Hybrid,functional nanofiller
- چکیده:
- چکیده انگلیسی: In this paper, the effects of filler type, filler content, functionalization, and the use of hybrid nanofillers on nanocomposite mechanical properties are investigated. For this purpose, several nanocomposite types were modeled and analyzed using Molecular Dynamics method. In the molecular dynamic’s simulations, crosslinking and nanofiller/matrix interface effects were considered. First thermoset epoxy resin with 75% crosslinking ratio between DGEBA resin and DETA hardener were simulated to determine pure resin properties. Then nanocomposites consisting of single walled carbon nanotubes (SWCNT), nanographene (NG), carbon nanoparticle (CNP), functional single walled carbon nanotubes (SWCNT-COOH), and functional nanographene (nanographene oxide) in thermoset epoxy were modeled and analyzed using Materials Studio software. In addition, filler weight fraction was increased from 2.5 to 10 percent in order to investigate the effects of filler content on nanocomposite mechanical properties. The results indicated that increasing nanofiller weight fraction from 0 to 7.5% resulted in an increase in nanocomposite elastic modulus for three non-functional nanofiller types. Moreover, functionalization improving nanocomposite properties as the highest increase in resin elastic modulus were obtained for the SWCNT-COOH reinforced epoxy for filler contents up to 7.5 weight percent. Also, agglomeration occurred at filler contents higher than 7.5 weight percent in the NG/epoxy, SWCNT/epoxy nanocomposites. Finally, the use of hybrid nanofillers reduced/prevented agglomeration for filler contents even up to 10 weight percent.
- انتشار مقاله: 15-07-1398
- نویسندگان: Ali Khodadadi,Mahmoud Haghighi,Hossein Golestanian,Farshid Aghadavoudi
- مشاهده
- جایگاه : پژوهشی
- مجله: International Journal of Advanced Design and Manufacturing Technology
- نوع مقاله: Journal Article
- کلمات کلیدی: Nanocomposite,Molecular Dynamics,CNT,Epoxy,Thermomechanical Property
- چکیده:
- چکیده انگلیسی: A molecular dynamics simulation study is employed to investigate the elastic and basic thermal properties of thermoset polymer based nanocomposite sample reinforced by CNT. The COMPASS force filed was used to construct the simulation box. The simulation box contains the cured epoxy resin molecules obtained from cross linking process of DGEBA and DETA which were located around the CNT (10,10). NVT and NPT ensembles were performed to equilibrate the system and convergence of temperature, energy and density have been checked. The elastic constants of molecular sample of nanocomposite were determined based on stiffness matrix and compared with the molecular results of pure resin. The results show that the Young's modulus in the transverse direction of nanocomposite model is less than that in longitudinal direction indicating the transversely isotropic behaviour at atomic scale. Glass transition temperature (Tg) and coefficient of thermal expansion (CTE) were calculated through the linear fitting of density-temperature diagram for the CNT-reinforced nanocomposite model. Atomistic simulation results showed decrease in Tg and CTE comparing to the pure epoxy. Moreover, the simulation results were compared with the measured values and good agreements are observed.
- انتشار مقاله: 22-03-1398
- نویسندگان: Majid Hadipeykani,Farshid Aghadavoudi,Davood Toghraie
- مشاهده