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Part of the book series: IUTAM Bookseries ((IUTAMBOOK,volume 27))

Abstract

Thermo-elastic behavior of perfect single crystal is considered. The crystal is represented as a set of interacting particles (atoms). The approach for determination of equivalent continuum values for the discrete system is proposed. Averaging of equations of particles’ motion and long wave approximation are used in order to make link between the discrete system and equivalent continuum. Basic balance equations for equivalent continuum are derived from microscopic equations. Macroscopic values such as Piola and Cauchy stress tensors and heat flux are represented via microscopic parameters. Connection between the heat flux and temperature is discussed. Equation of state in Mie-Gruneisen form connecting Cauchy stress tensor with deformation gradient and thermal energy is obtained from microscopic considerations.

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References

  1. M.P. Allen, D.J. Tildesley. Computer Simulation of Liquids. Clarendon Press, Oxford. (1987). 385 p.

    MATH  Google Scholar 

  2. M. Born, K. Huang. Dynamical theory of crystal lattices. Oxford: Clarendon Press, (1988).

    MATH  Google Scholar 

  3. B.L. Glushak, V.F. Kuropatenko, S.A. Novikov. Issledovanie prochnosti materialov pri dinamicheskix nagruzkax. Nauka, (1992), p. 295.

    Google Scholar 

  4. R.J. Hardy. Formulae for determining local properties in molecular-dynamics simulations: Shock waves. Journal of Chemical Physics 76, pp. 622–628, (1982).

    Article  Google Scholar 

  5. W.G. Hoover. Smooth particle applied mechnics — The state of the art. Advanced series in nonlinear dynamics, Vol. 25, World Scientific, (2006). 300 p.

    Book  Google Scholar 

  6. V.I. Kondaurov, V.E. Fortov. Foundations of thermo-mechanics of condensed matters. M.: Izd. MFTI, (2002). 336 p. (in Russian).

    Google Scholar 

  7. A.M. Krivtsov. Deformation and fracture of bodies with microstructure. M.: Fizmatlit, (2007). 302 p.

    Google Scholar 

  8. A.M. Krivtsov. From nonlinear oscillations to equation of state in simple discrete systems. Chaos, Solitons & Fractals 17, 79, (2003).

    Article  MATH  Google Scholar 

  9. A.M. Krivtsov, V.A. Kuzkin. Derivation of equations of state for perfect crystals with simple structure. Mechanics of Solids, (2010) (paper in press).

    Google Scholar 

  10. I.A. Kunin. Theory of elastic media with microstrucrutes. Springer-Verlag, (1982).

    Google Scholar 

  11. V.A. Kuzkin. Equivalent thermo-mechanical parameters for perfect crystals with arbitrary multibody potential. Proc. of XXXVII Summer School-Conference “Advanced Problems in Mechanic”. St. Petersburg. pp. 421–431, (2009).

    Google Scholar 

  12. V.A. Kuzkin, A.M. Krivtsov. Thermo-mechanical effects in perfect crystals with arbitrary multibody potential. Proc. of Joint U.S.-Russia conference on Advances in Material Science. Prague. (2009). pp. 30–34.

    Google Scholar 

  13. G. Leibfrid. Microscopic Theory of Mechanical and Thermal Properties of Crystals, Moscow, GIFML, (1962), 312 p.

    Google Scholar 

  14. A.I. Lurie. Nonlinear theory of elasticity. North-Holland. Amsterdam. (1990). 617 p.

    MATH  Google Scholar 

  15. V.A. Palmov. Vibrations of elasto-palstic bodies. Springer-Verlag, Berlin (1998).

    Google Scholar 

  16. R.E. Rudd, J.Q. Broughton. Coarse-grained molecular dynamics: Nonlinear finite elements and finite temperature. Phys. Rev. B 72, 144104, (2005).

    Article  Google Scholar 

  17. G.J. Wagner, W.K. Liu. Coupling of atomistic and continuum simulations using a bridging scale decomposition. J. Comput. Phys. 190, pp. 249—274, (2003).

    Article  MATH  Google Scholar 

  18. E.B. Webb, J.A. Zimmerman, S.C. Seel. Reconsideration of Continuum Thermomechanical Quantities in Atomic Scale Simulations. Mathematics and Mechanics of Solids 13, (2008), pp. 221–266.

    Article  MATH  MathSciNet  Google Scholar 

  19. Y.B. Zeldovich, J.P. Raiser. Physics of shock waves and high temperature hydrodynamic events. Academic Press, New York, (1967), p. 785.

    Google Scholar 

  20. M. Zhou. Thermomechanical contimuum representation of atomistic deformation at arbitrary size scales. Proc. R. Soc. A 461 (2005) pp. 3437–3472.

    Article  MATH  Google Scholar 

  21. J.A. Zimmerman, E.B. Webb, J.J. Hoyt, R.E. Jones, P.A. Klein, D.J. Bammann. Calculation of stress in atomistic simulation. Modelling Simul. Mater. Sci. Eng. 12 (2004) pp. 319–332.

    Article  Google Scholar 

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Correspondence to V. A. Kuzkin .

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Kuzkin, V.A., Krivtsov, A.M. (2011). Equivalent thermo-mechanical parameters for perfect crystals. In: Belyaev, A., Langley, R. (eds) IUTAM Symposium on the Vibration Analysis of Structures with Uncertainties. IUTAM Bookseries, vol 27. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-0289-9_29

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  • DOI: https://doi.org/10.1007/978-94-007-0289-9_29

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-007-0288-2

  • Online ISBN: 978-94-007-0289-9

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