Stress Concentration Factor of Single-Layered Graphene Sheets Containing Elliptical Vacancies
محورهای موضوعی : Engineering
S.K Jalali
1
(
Department of Mechanical Engineering, Kermanshah University of Technology, Kermanshah, Iran
)
M.J Beigrezaee
2
(
Department of Mechanical Engineering, Kermanshah University of Technology, Kermanshah, Iran
)
کلید واژه: Stress Concentration Factor, Molecular structural mechanics, Finite Element Method, Elliptical vacancies, Defected grapheme,
چکیده مقاله :
In the present study, potential of finite element based molecular structural mechanics (MSM) for evaluating stress concentration factor of single-layered graphene sheets (SLGSs) with elliptical vacancies is successfully addressed. The MSM approach mimics the interatomic forces of the nanostructure by defining an equivalent frame structure containing beam elements. To obtain the mechanical and cross sectional properties of the equivalent beam, the potential energies of chemical bonds between carbon atoms in the hexagonal lattice of SLGSs are equaled to the strain energies of the beams. This novel proposed approach accurately predicts the stress concentration in graphene sheets with significantly less computational effort in comparison to computational physics methods. Both armchair and zigzag configurations are considered. Furthermore, a comparison between the results obtained by presented MSM approach and theory of elasticity for thin infinite panels having elliptical holes is presented. Influence of chirality, and geometry of elliptical vacancies are investigated in details. Results reveal that MSM approach can successfully predicts stress concentration factor phenomena in nano structures, especially SLGSs. It is seen that chirality has a significant effect on the stress concentration factor so that armchair SLGSs show a larger value of stress concentration.
[1] Tourki Samaei A., Hosseini Hashemi S., 2012, Buckling analysis of graphene nanosheets based on nonlocal elasticity theory, International Journal of Nano Dimension 2: 227-232.
[2] Prasanna Kumar T. J., Narendar S., Gupta B. L. V. S., Gopalakrishnan S., 2013, Thermal vibration analysis of double-layer graphene embedded in elastic medium based on nonlocal continuum mechanics, International Journal of Nano Dimension 4: 29-49.
[3] Soldano C., Mahmood A., Dujardin E., 2010, Production, properties and potential of graphene, Carbon 48: 2127-2150.
[4] Ansari R., Ajori S., Motevalli B., 2012, Mechanical properties of defective single-layered graphene sheets via molecular dynamics simulation, Superlattices and Microstructures 51: 274-289.
[5] Mortazavi B., Ahzi S., 2013, Thermal conductivity and tensile response of defective graphene: A molecular dynamics study, Carbon 63: 460–470.
[6] Adali S., 2012, Variational principles for nonlocal continuum model of orthotropic graphene sheets embedded in an elastic medium, Acta Mathematica Scientia 32: 325-338.
[7] Kang J. W., Lee S., 2013, Molecular dynamics study on the bending rigidity of graphene nanoribbons, Computational Materials Science 74: 107-113.
[8] Shokrieh M. M., Esmkhani M., Haghighatkhah A. R., Zhao Z. , 2014, Flexural fatigue behavior of synthesized graphene/carbon-nanofiber/epoxy hybrid nanocomposites, Materials & Design 62: 401-408.
[9] Firouz-Abadi R. D., Hosseinian A. R., 2012, Free vibrations of single-walled carbon nanotubes in the vicinity of a fully constrained graphene sheet, Computational Materials Science 53: 12-17.
[10] Oubal M., Picaud S., Rayez M.-T., Rayez J.-C., 2012, Structure and reactivity of carbon multivacancies in graphene, Computational and Theoretical Chemistry 990: 159-166.
[11] Ozturk Z., Baykasoglu C., Kirca M., 2016, Sandwiched graphene-fullerene composite: A novel 3-D nanostructured material for hydrogen storage, International Journal of Hydrogen Energy 41: 6403-6411.
[12] Gao Y., Hao P., 2009, Mechanical properties of monolayer graphene under tensile and compressive loading, Physica E: Low-dimensional Systems and Nanostructures 41: 1561-1566.
[13] Li C., Chou T.-W. W., 2003, A structural mechanics approach for the analysis of carbon nanotubes, International Journal of Solids and Structures 40: 2487-2499.
[14] Bocko J., Lengvarský P., 2018, Buckling analysis of graphene nanosheets by the finite element method, MATEC Web of Conferences 157: 06002.
[15] Namin S. F. A., Pilafkan R., 2017, Vibration analysis of defective graphene sheets using nonlocal elasticity theory, Physica E: Low-Dimensional Systems and Nanostructures 93: 257-264.
[16] Agius Anastasi A., Ritos K., Cassar G., Borg M. K., 2016, Mechanical properties of pristine and nanoporous graphene, Molecular Simulation 42: 1502-1511.
[17] Sakhaee-Pour A., 2009, Elastic properties of single-layered graphene sheet, Solid State Communications 149: 91-95.
[18] Scarpa F., Adhikari S., Srikantha Phani A., 2009, Effective elastic mechanical properties of single layer graphene sheets, Nanotechnology 20: 065709.
[19] Lu Q., Arroyo M., Huang R., 2009, Elastic bending modulus of monolayer graphene, Journal of Physics D: Applied Physics 42: 102002.
[20] Firouz-Abadi R. D., Moshrefzadeh-Sany H., Mohammadkhani H., Sarmadi M., 2016, A modified molecular structural mechanics model for the buckling analysis of single layer graphene sheet, Solid State Communications 225: 12-16.
[21] Hashemnia K., Farid M., Vatankhah R., 2009, Vibrational analysis of carbon nanotubes and graphene sheets using molecular structural mechanics approach, Computational Materials Science 47: 79-85.
[22] Wang C. G., Lan L., Liu Y. P., Tan H. F., He X. D., 2013, Vibration characteristics of wrinkled single-layered graphene sheets, International Journal of Solids and Structures 50: 1812-1823.
[23] Yadav S., Zhu Z., Singh C. V., 2014, Defect engineering of graphene for effective hydrogen storage, International Journal of Hydrogen Energy 39: 4981-4995.
[24] Wang M. C. C., Yan C., Ma L., Hu N., Chen M. W. W., 2012, Effect of defects on fracture strength of graphene sheets, Computational Materials Science 54: 236-239.
[25] Liu L., Qing M., Wang Y., Chen S., 2015, Defects in graphene: generation, healing, and their effects on the properties of graphene: A review, Journal of Materials Science & Technology 31: 599-606.
[26] Xiao J. R., Staniszewski J., Gillespie J. W., 2010, Tensile behaviors of graphene sheets and carbon nanotubes with multiple Stone–Wales defects, Materials Science and Engineering: A 527: 715-723.
[27] Rodrigues J. N. B., 2011, Zigzag graphene nanoribbon edge reconstruction with Stone-Wales defects, Physical Review B 84: 155435.
[28] Fan B. B., Yang X. B., Zhang R., 2010, Anisotropic mechanical properties and Stone–Wales defects in graphene monolayer: A theoretical study, Physics Letters A 374: 2781-2784.
[29] Wang S. P., Guo J. G., Zhou L. J., 2013, Influence of Stone-Wales defects on elastic properties of graphene nanofilms, Physica E: Low-Dimensional Systems and Nanostructures 48: 29-35.
[30] Surwade S. P., 2015, Water desalination using nanoporous single-layer graphene, Nature Nanotechnology 10: 459-464.
[31] Cohen-Tanugi D., Grossman J. C., 2015, Nanoporous graphene as a reverse osmosis membrane: Recent insights from theory and simulation, Desalination 366: 59-70.
[32] Jalali S. K., Beigrezaee M. J., Pugno N. M., 2017, Atomistic evaluation of the stress concentration factor of graphene sheets having circular holes, Physica E: Low-dimensional Systems and Nanostructures 93: 318-323.
[33] Pilkey W. D., Pilkey D. F., 2007, Peterson’s Stress Concentration Factors, John Wiley & Sons, Inc.
[34] Boresi A. P., Schmidt R. J., 2002, Advanced Mechanics of Materials, Wiley-VCH Verlag GmbH & Co. KGaA.
[35] Pugno N. M., Ruoff R. S., 2004, Quantized fracture mechanics, Philosophical Magazine 84: 2829-2845.
