Abstract
The chapter presents the study on thermal vibration of nanostructures, such as carbon nanotube (CNT) and graphene, as well as the basic finding for the relation between the temperature and the root-of-mean-square (RMS) amplitude of the thermal vibration of the carbon nanostructures. In this study, the molecular dynamics (MD) based on modified Langevin dynamics, which accounts for quantum statistics by introducing a quantum heat bath, is used to simulate the thermal vibration of carbon nanostructures. The simulations show that the RMS amplitude of the thermal vibration of the carbon nanostructures obtained from the semi-quantum MD is lower than that obtained from the classical MD, especially for very low temperature and high-order vibration modes. The RMS amplitudes of the thermal vibrations of the single-walled CNT (SWCNT) and graphene obtained from the semi-quantum MD coincide well with those from the models of Timoshenko beam and Kirchhoff plate with quantum effects. These results indicate that quantum effects are important for the thermal vibration of the SWCNT and graphene in the case of high-order vibration modes, small size, and low temperature. Furthermore, the thermal vibration of a simply supported SWCNT subject to thermal stress is investigated by using the models of planar and non-planar nonlinear beams, respectively. The whirling motion with energy transfer between flexural motions is found in the SWCNT when the geometric nonlinearity is significant. The energies of different vibration modes are not equal even over a time scale of tens of nanoseconds, which is much larger than the period of fundamental natural vibration of the SWCNT at equilibrium state. The energies of different modes become equal when the time scale increases to the range of microseconds.
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References
Astumian RD. Thermodynamics and kinetics of a Brownian motor. Science. 1997;276:917.
Poncharal P, Wang ZL, Ugarte D, de Heer WA. Electrostatic deflections and electromechanical resonances of CNTs. Science. 1999;283:1513–6.
Garcia-Sanchez D, San Paulo A, Esplandiu M, Perez-Murano F, Forró L, Aguasca A, Bachtold A. Mechanical detection of CNT resonator vibrations. Phys Rev Lett. 2007;99:085501.
Iijima S. Helical microtubules of graphitic carbon. Nature. 1991;354:56.
Novoselov KS, Geim AK, Morozov SV, Jiang D, Zhang Y, Dubonos SV, Grigorieva IV, Firsov AA. Electric field effect in atomically thin carbon films. Science. 2004;306:666–9.
Qian D, Wagner GJ, Liu WK, Yu MF, Ruoff RS. Mechanics of CNTs. Appl Mech Rev. 2002;55:495–533.
Treacy MMJ, Ebbesen TW, Gibson JM. Exceptionally high Young’s modulus observed for individual. Nature. 1996;381:678–80.
Krishnan A, Dujardin E, Ebbesen TW, Yianilos PN, Treacy MMJ. Young’s modulus of single-walled nanotubes. Phys Rev B. 1998;58(20):14013.
Barnard AW, Sazonova V, van der Zande AM, McEuen PK. Fluctuation broadening in CNT resonators. Proc Natl Acad Sci U S A. 2012;109(47):19093–6.
Wang LF, HY H, Guo WL. Thermal vibration of CNTs predicted by beam models and molecular dynamics. Proc Roy Soc A. 2010;466(2120):2325–40.
Feng EH, Jones RE. Equilibrium thermal vibrations of CNTs. Phys Rev B. 2010;81:125436.
Feng EH, Jones RE. CNT cantilevers for next-generation sensors. Phys Rev B. 2011;83:125412.
Wang LF, Hu HY. Thermal vibration of double-walled carbon nanotubes predicted via double-Euler-beam model and molecular dynamics. Acta Mech. 2012;223(10):2107–15.
Moser J, Eichler A, Güttinger J, Dykman MI, Bachtold A. Nanotube mechanical resonators with quality factors of up to 5 million. Nat Nanotechnol. 2014;9:1007.
Thomson WT. Theory of vibration with applications. Englewood Cliffs: Prentice-Hall; 1972.
Yoon J, CQ R, Mioduchowski A. Terahertz vibration of short CNTs modeled as Timoshenko beams. J Appl Mech. 2005;72(1):10–7.
Wang LF, Flexural HHY. Wave propagation in single-walled carbon nanotubes. Phys Rev B. 2005;71(19):195412.
Huang TC. The effect of rotatory inertia and of shear deformation on frequency and normal mode equations of uniform beams with simple end conditions. J Appl Mech. 1961;28:579–84.
Liew KM, YG H, He XQ. Flexural wave propagation in single-walled carbon nanotubes. J Comput Theor Nanosci. 2008;5:581.
Hone J, Batlogg B, Benes Z, Johnson AT, Fisher JE. Quantized phonon spectrum of single-walled CNTs. Science. 2000;289:1730–3.
O’Connell AD, Hofheinz M, Ansmann M, Bialczak RC, Lenander M, Lucero E, Neeley M, Sank D, Wang H, Weides M, Wenner J, Martinis JM, Cleland AN. Quantum ground state and single-phonon control of a mechanical resonator. Nature. 2010;464:697–703.
Parrinello M, Car R. Unified approach for molecular dynamics and density - functional theory. Phys Rev Lett. 1985;55:2471–4.
Miller WH. Quantum dynamics of complex molecular systems. Proc Natl Acad Sci U S A. 2005;102:6660–4.
Wang JS. Quantum thermal transport from classical molecular dynamics. Phys Rev Lett. 2007;99:160601.
Dammak H, Chalopin Y, Laroche M, Hayoun M, Greffet JJ. Quantum thermal bath for molecular dynamics simulation. Phys Rev Lett. 2009;103:190601.
Savin AV, Kosevich YA, Cantarero A. Semiquantum molecular dynamics simulation of thermal properties and heat transport in low-dimensional nanostructures. Phys Rev B. 2012;86:064305.
Wang LF, Hu HY. Thermal vibration of single-walled CNTs with quantum effects. Proc Roy Soc A. 2014;470:20140087.
Liu RM, Wang LF. Thermal vibration of a single-walled CNT predicted by semiquantum molecular dynamics. Phys Chem Chem Phys. 2015;17:5194–201.
Lahiri A. Statistical mechanics: an elementary outline. India: Universities Press Private Ltd; 2009.
Brenner DW, Shenderova OA, Harrison JA, Stuart SJ, Ni B, Sinnott SB. A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons. J Phys Condens Matter. 2002;14:783–802.
Brünger A, Brooks CL III, Karplus M. Stochastic boundary conditions for molecular dynamics simulations of ST2 water. Chem Phys Lett. 1984;105:495.
Eichler A, Del Álamo Ruiz M, Plaza JA, Bachtold A. Strong coupling between mechanical modes in a nanotube resonator. Phys Rev Lett. 2012;109:025503.
Koh H, Cannon JJ, Shiga T, Shiomi J, Chiashi S, Maruyama S. Thermally induced nonlinear vibration of single-walled carbon nanotubes. Phys Rev B. 2015;92:024306.
Wang LF, Hu HY. Thermal vibration of a simply supported single-walled carbon nanotube with thermal stress. Acta Mech. 2016;227(7):1957–67.
Tounsi A, Heireche H, Berrabah HM, Benzair A, Boumia L. Effect of small size on wave propagation in double-walled carbon nanotubes under temperature field. J Appl Phys. 2008;104:104301.
Zhu WQ. Random vibration. Beijing: Science Press; 1998.
Ho CH, Scott RA, Elsley JG. Non-planar, non-linear oscillations of a beam-I, forced motions. Int J Non Linear Mech. 1975; 10: 113–127; Ho CH, Scott RA, Elsley JG. Non-planar, non-linear oscillations of a beam II, free motion. J Sound Vib. 1976; 47:333.
Liu RM, Wang LF. Coupling between flexural modes in free vibration of single-walled carbon nanotubes. AIP Adv. 2015;5:127110.
Crespo Da Silva MRM, Glynn CC. Nonlinear flexural-flexural-torsional dynamics of inextensional beams. I. Equations of motion. J Struct Mech. 1978; 6:437; Crespo Da Silva MRM, Glynn CC. Nonlinear flexural-flexural-torsional dynamics of inextensional beams. II. Forced motions. J Struct Mech. 1978; 6:449.
He XQ, Kitipornchai S, Liew KM. Resonance analysis of multi-layered graphene sheets used as nanoscale resonators. Nano. 2005;16:2086–91.
Wang LF, Hu HY. Thermal vibration of a rectangular single-layered graphene sheet with quantum effects. J Appl Phys. 2014;115:233515.
Wang LF, Hu HY. Thermal vibration of a circular single-layered graphene sheet with simply supported or clamped boundary. J Sound Vib. 2015;349:206–15.
Leissa AW. Vibration of plates. Washington DC: NASA; 1969.
Bunch JS, van der Zande AM, Verbridge SS, Frank IW, Tanenbaum DM, Parpia JM, Craighead HG, McEuen PL. Electromechanical resonators from graphene sheets. Science. 2007;315:490–3.
Cormier J, Rickman JM, Delph TJ. Stress calculation in atomistic simulations of perfect and imperfect solids. J Appl Phys. 2001;89:99–104.
Xu W, Wang LF, Jiang JN. Strain gradient finite element analysis on the vibration of double-layered graphene sheets. Int J Comput Methods. 2016;13:1650011.
Liu RM, Wang LF, Jiang JN. Thermal vibration of a single-layered graphene with initial stress predicted by semiquantum molecular dynamics. Mater Res Express. 2016;3(9):095601.
Poot M, van der Zant HSJ. Nanomechanical properties of few-layer graphene membranes. Appl Phys Lett. 2008;92(6):063111.
Natsuki T, Shi JX, Ni QQ. Vibration analysis of circular double-layered graphene sheets. J Appl Phys. 2012;111:044310.
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Wang, L., Hu, H., Liu, R. (2019). Thermal Vibration of Carbon Nanostructures. In: Schmauder, S., Chen, CS., Chawla, K., Chawla, N., Chen, W., Kagawa, Y. (eds) Handbook of Mechanics of Materials. Springer, Singapore. https://doi.org/10.1007/978-981-10-6884-3_16
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