Mechanical Properties of CNT-Reinforced Polymer Nano-composites: A Molecular Dynamics Study

سال انتشار: 1395
نوع سند: مقاله ژورنالی
زبان: انگلیسی
مشاهده: 215

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شناسه ملی سند علمی:

JR_MACS-3-2_005

تاریخ نمایه سازی: 14 تیر 1399

چکیده مقاله:

Understanding the mechanism underlying the behavior of polymer-based nanocomposites requires investigation at the molecular level. In the current study, an atomistic simulation based on molecular dynamics was performed to characterize the mechanical properties of polycarbonate (PC) nanocomposites reinforced with single-walled armchair carbon nanotubes (SWCNT). The stiffness matrix and elastic properties such as Young’s modulus, shear and bulk moduli, and Poisson’s ratio for the pure PC and PC/CNT nanocomposites were estimated using the constant-strain method. In this research, this method was used for the first time to investigate the effects of different parameters, such as the effects of weight fraction and aspect ratio of CNTs on the elastic properties of PC/SWCNT nanocomposites. From the computational results, the elastic moduli of PC/CNT nanocomposites increased with increasing the amount of incorporated CNTs, while their aspect ratio (l/d) also increased. A significant increase in the elastic modulus (41.2%) was observed, even with the addition of a small quantity (2.4 wt%) of SWCNTs. Upon addition of about 6.9 wt% of SWCNTs, the elastic modulus increased by almost 52%.

نویسندگان

M. Farhadinia

Composite Materials and Technology Center, Malek Ashtar University of Technology, Tehran, Iran

B. Arab

Department of Mechanical Engineering, Faculty of Engineering, Tehran North Branch, Islamic Azad University, Tehran, Iran - Young Researchers and Elites Club, Tehran North Branch, Islamic Azad University, Tehran, Iran

J.E. Jam

Composite Materials and Technology Center, Malek Ashtar University of Technology, Tehran, Iran

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  • Dar UA, Zhang W, Xu Y, Wang J. Thermal and ...
  • Mittal V. Polymer Nanotubes Nanocomposites: Synthesis, Properties and Applications. John ...
  • Sharma S, Chandra R, Kumar P, Kumar N. Thermo-mechanical characterization ...
  • Eitan A, Fisher F, Andrews R, Brinson L, Schadler L. ...
  • Chen L, Pang X-J, Yu Z-L. Study on polycarbonate/multi-walled carbon ...
  • Aghadavoudi F, Golestanian H, Tadi Beni Y. Investigating the Effects ...
  • Arash B, Wang Q, Varadan VK. Mechanical properties of carbon ...
  • Sharma S, Chandra R, Kumar P, Kumar N. Thermo-mechanical characterization ...
  • Gates T, Odegard G, Frankland S, Clancy T. Computational materials: ...
  • Odegard G, Gates T, Wise K, Park C, Siochi E. ...
  • Odegard GM, Gates TS, Nicholson LM, Wise KE. Equivalent-continuum modeling ...
  • Rossi M, Meo M. On the estimation of mechanical properties ...
  • Papanikos P, Nikolopoulos D, Tserpes K. Equivalent beams for carbon ...
  • Tserpes K, Papanikos P, Labeas G, Pantelakis SG. Multi-scale modeling ...
  • Valavala PK, Odegard GM, editors. Multiscale constitutive modeling of polymer ...
  • Guglielmi M, Kickelbick G, Martucci A. Sol-Gel Nanocomposites. Springer, 2014 ...
  • Frenkel D, Smit B. Understanding molecular simulations: from algorithms to ...
  • Al-Ostaz A, Pal G, Mantena PR, Cheng A. Molecular dynamics ...
  • Sun H. COMPASS: an ab initio force-field optimized for condensed-phase ...
  • Fried J. The COMPASS force field: parameterization and validation for ...
  • Bunte SW, Sun H. Molecular modeling of energetic materials: the ...
  • Yang J, Ren Y, Tian A-m, Sun H. COMPASS force ...
  • McQuaid MJ, Sun H, Rigby D. Development and validation of ...
  • http://accelrys.com/products/collaborative-science/biovia-materials-studio/ ...
  • Yang S, Choi J, Cho M. Elastic stiffness and filler ...
  • Ewald PP. Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann Phys ...
  • Berendsen HJ, Postma Jv, van Gunsteren WF, DiNola A, Haak ...
  • Nosé S. A molecular dynamics method for simulations in the ...
  • Hoover WG. Canonical dynamics: equilibrium phase-space distributions. Physical Review A ...
  • Materials Studio 6.0 (Accelrys Inc.), Classical simulations theory – mechanical ...
  • Shokuhfar A, Arab B. The effect of cross linking density ...
  • Arab B, Shokuhfar A. Molecular dynamics simulation of cross-linked urea-formaldehyde ...
  • Takeda T, Shindo Y, Narita F, Mito Y. Tensile characterization ...
  • Christopher WF, Fox DW. Polycarbonates. Reinhold Publishing Corporation, 1962 ...
  • Fornes T, Baur J, Sabba Y, Thomas E. Morphology and ...
  • King JA, Via MD, Caspary JA, Jubinski MM, Miskioglu I, ...
  • Man Y, Li Z, Zhang Z. Interface-dependent mechanical properties in ...
  • Oliver A, Bult J, Le QV, Mbaruku AL, Schwartz J. ...
  • Kim KH, Jo WH. A strategy for enhancement of mechanical ...
  • Islam MZ, Mahboob M, Lowe RL. Mechanical properties of defective ...
  • Aghadavoudi F, Golestanian H, Beni YT. Investigation of CNT Defects ...
  • نمایش کامل مراجع