شبیه‌سازی دینامیک مولکولی بر روی رفتار کمانش گرافن عامل‌دار شده با نایلون 6 و 6 در محیط سیال آبی

[1] Novoselov KS, Geim AK, Morozov SV, Jiang DE, Zhang Y, Dubonos SV, Grigorieva IV, Firsov AA. Electric field effect in atomically thin carbon films. Science. 2004; 306(5696):666-669.##

[2] Ansari R, Ajori S, Motevalli B. Mechanical properties of defective single-layered graphene sheets via molecular dynamics simulation. Superlattices and Microstructures. 2012; 51(2):274-289.##

[3] Bedi D, Sharma S, Tiwari SK, Ajori S. Effect of defects and boundary conditions on the vibrational behavior of carbon nanotube and graphene: A molecular dynamics perspective. Diamond and Related Materials. 2022; 126: 109052.##

[4] Osman A, Elhakeem A, Kaytbay S, Ahmed A. A comprehensive review on the thermal, electrical, and mechanical properties of graphene-based multi-functional epoxy composites. Advanced Composites and Hybrid Materials. 2022; 5(2): 547-605.## 

[5] Wijerathne D, Gong Y, Afroj S, Karim N, Abeykoon C. Mechanical and thermal properties of graphene nanoplatelets-reinforced recycled polycarbonate composites. International Journal of Lightweight Materials and Manufacture. 2023; 6(1): 117-128.##

[6] Elsaid K, Abdelkareem MA, Maghrabie HM, Sayed ET, Wilberforce T, Baroutaji A, Olabi AG. Thermophysical properties of graphene-based nanofluids. International Journal of Thermofluids. 2021; 10: 100073.##

[7] Hassanpour S, Mehralian F, Firouz-Abadi RD, Borhan-Panah MR, Rahmanian M. Prediction of in-plane elastic properties of graphene in the framework of first strain gradient theory. Meccanica. 2019; 54: 299-310.##

[8] Li G, Li Y, Liu H, Guo Y, Li Y, Zhu D. Architecture of graphdiyne nanoscale films. Chemical Communications. 2010; 46(19):3256-3258.##

[9] Di CA, Wei D, Yu G, Liu Y, Guo Y, Zhu D. Patterned graphene as source/drain electrodes for bottom‐contact organic field‐effect transistors. Advanced Materials. 2008; 20(17):3289-3293.##

[10] Wang X, Ouyang Y, Li X, Wang H, Guo J, Dai H. Room-temperature all-semiconducting sub-10-nm graphene nanoribbon field-effect transistors. Physical Review Letters. 2008; 100(20):206803.##

[11] Lin YM, Avouris P. Strong suppression of electrical noise in bilayer graphene nanodevices. Nano Letters. 2008; 8(8):2119-2125.##

[12] Wang QH, Hersam MC. Room-temperature molecular-resolution characterization of self-assembled organic monolayers on epitaxial graphene. Nature Chemistry. 2009; 1(3):206-211.##

[13] Si Y, Samulski ET. Synthesis of water soluble graphene. Nano Letters. 2008; 8(6):1679-1682.##

[14] Wang X, Li X, Zhang L, Yoon Y, Weber PK, Wang H, Guo J, Dai H. N-doping of graphene through electrothermal reactions with ammonia. Science. 2009; 324(5928):768-771.##

[15] Mouhat F, Coudert FX, Bocquet ML. Structure and chemistry of graphene oxide in liquid water from first principles. Nature Communications. 2020; 11(1): 1566.##

[16] Geim AK, Novoselov KS. The rise of graphene. Nature Materials. 2007; 6(3):183-191.##

[17] Ansari R, Ajori S, Rouhi S. Structural and elastic properties and stability characteristics of oxygenated carbon nanotubes under physical adsorption of polymers. Applied Surface Science. 2015; 332:640-647.##

[18] Ansari R, Ajori S, Ameri A. Elastic and structural properties and buckling behavior of single-walled carbon nanotubes under chemical adsorption of atomic oxygen and hydroxyl. Chemical Physics Letters. 2014; 616:120-125.##

[19] Coletti C, Riedl C, Lee DS, Krauss B, Patthey L, von Klitzing K, Smet JH, Starke U. Charge neutrality and band-gap tuning of epitaxial graphene on SiC by molecular doping. Physical Review B. 2010; 81(23): 235401.## 

[20] Wu M, Cao C, Jiang JZ. Light non-metallic atom (B, N, O and F)-doped graphene: a first-principles study. Nanotechnology. 2010; 21(50):505202.##

[21] Cocco G, Cadelano E, Colombo L. Gap opening in graphene by shear strain. Physical Review B. 2010; 81(24): 241412.##

[22] Park J, Lee WH, Huh S, Sim SH, Kim SB, Cho K, Hong BH, Kim KS. Work-function engineering of graphene electrodes by self-assembled monolayers for high-performance organic field-effect transistors. The Journal of Physical Chemistry Letters. 2011; 2(8):841-845.##

[23] Park J, Jo SB, Yu YJ, Kim Y, Yang JW, Lee WH, Kim HH, Hong BH, Kim P, Cho K, Kim KS. Single‐gate bandgap opening of bilayer graphene by dual molecular doping. Advanced Materials. 2012; 24(3):407-411.##

[24] Behura SK, Wang C, Wen Y, Berry V. Graphene–semiconductor heterojunction sheds light on emerging photovoltaics. Nature Photonics. 2019; 13(5): 312-318.##

[25] Karki N, Tiwari H, Tewari C, Rana A, Pandey N, Basak S, Sahoo NG. Functionalized graphene oxide as a vehicle for targeted drug delivery and bioimaging applications. Journal of Materials Chemistry B. 2020; 8(36): 8116-8148.##

[26] Sattari S, Adeli M, Beyranvand S, Nemati M. Functionalized graphene platforms for anticancer drug delivery. International Journal of Nanomedicine. 2021; 16: 5955.##

[27] Sharma H, Mondal S. Functionalized graphene oxide for chemotherapeutic drug delivery and cancer treatment: a promising material in nanomedicine. International Journal of Molecular Sciences. 2020; 21(17): 6280.##

[28] Yang K, Hu L, Ma X, Ye S, Cheng L, Shi X, Li C, Li Y, Liu Z. Multimodal imaging guided photothermal therapy using functionalized graphene nanosheets anchored with magnetic nanoparticles. Advanced Materials. 2012; 24(14): 1868-1872.##

[29] Huang P, Xu C, Lin J, Wang C, Wang X, Zhang C, Zhou X, Guo S, Cui D. Folic acid-conjugated graphene oxide loaded with photosensitizers for targeting photodynamic therapy. Theranostics. 2011; 1:240.##

[30] Ma X, Tao H, Yang K, Feng L, Cheng L, Shi X, Li Y, Guo L, Liu Z. A functionalized graphene oxide-iron oxide nanocomposite for magnetically targeted drug delivery, photothermal therapy, and magnetic resonance imaging. Nano Research. 2012; 5:199-212.##

[31] Zhang S, Yang K, Feng L, Liu Z. In vitro and in vivo behaviors of dextran functionalized graphene. Carbon. 2011; 49(12): 4040-4049.##

[32] Tiwari H, Karki N, Pal M, Basak S, Verma RK, Bal R, Kandpal ND, Bisht G, Sahoo NG. Functionalized graphene oxide as a nanocarrier for dual drug delivery applications: The synergistic effect of quercetin and gefitinib against ovarian cancer cells. Colloids and Surfaces B: Biointerfaces. 2019; 178: 452-459.##

[33] Sagadevan S, Shahid MM, Yiqiang Z, Oh WC, Soga T, Anita Lett J, Alshahateet SF, Fatimah I, Waqar A, Paiman S, Johan MR. Functionalized graphene-based nanocomposites for smart optoelectronic applications. Nanotechnology Reviews. 2021; 10(1): 605-635.##

[34] Sengupta R, Ganguly A, Sabharwal S, Chaki TK, Bhowmick A.K. MWCNT reinforced Polyamide-6, 6 films: preparation, characterization and properties. Journal of Materials Science. 2007; 42: 923-934.##

[35] Chavarria F, Paul DR. Comparison of composites based on nylon 6 and nylon 6,6. Polymer. 2004; 45:8501.##

[36] Cho JW, Paul DR. Nylon 6 nanocomposites by melt compounding. Polymer. 2001; 42(3):1083-1094.##

[37] Plimpton S. Fast parallel algorithms for short-range molecular dynamics. Journal of computational physics. 1995; 117(1):1-19.##

[38] Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. Journal of the American Chemical Society. 1995; 117(19):5179-5197.##

[39] Grindon C, Harris S, Evans T, Novik K, Coveney P, Laughton C. Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS. Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences. 2004; 362(1820):1373-1386.##

[40] Zhang CL, Shen HS. Predicting the elastic properties of double-walled carbon nanotubes by molecular dynamics simulation. Journal of Physics D: Applied Physics. 2008; 41(5):055404.##

[41] Tildesley DJ, Allen M.P. Computer simulation of liquids. Oxford: Clarendon. 1987.##

[42] Hoover WG. Canonical dynamics: Equilibrium phase-space distributions. Physical Review A. 1985; 31(3):1695.##

[43] Gao Y, Hao P. Mechanical properties of monolayer graphene under tensile and compressive loading. Physica E: Low-dimensional Systems and Nanostructures. 2009; 41(8):1561-1566.##