Crystal Disordering in Melting and Amorphization

  • Sidney Yip
  • Simon R. Phillpot
  • Dieter Wolf
Chapter

Abstract

Among the structural phase transitions that evolve from an initially crystalline state, melting is the most common and most extensively studied. Another transformation that produces a disordered final state is solid-state amorphization. In this section the underlying thermodynamic and kinetic features of these two phenomena in a bulk lattice and at surfaces and grain boundaries will be discussed [1]. By focusing on the insights derived from molecular-dynamics simulations, we are led quite naturally to a view of structural disordering that unifies the crystal-to-liquid (C-L) and crystal-to-amorphous (C-A) transitions at high and low temperatures, respectively.

Keywords

Structural Disorder Elastic Instability Freezing Curve Extrinsic Defect Thermodynamic Melting 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
This is a preview of subscription content, log in to check access.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. [1]
    S.R. Phillpot, S. Yip, P.R. Okamoto, and D. Wolf, “Role of interfaces in melting and solid-state amorphization”, In: D. Wolf and S. Yip (eds.), Materials Interfaces, Chapman and Hall, London, pp. 228–254, 1992.Google Scholar
  2. [2]
    A.R. Ubbelohde, Molten State of Matter: Melting and Crystal Structure, Wiley, Chichester, 1978.Google Scholar
  3. [3]
    R.W. Cahn, “Melting and the surface”, Nature, 323, 668–669, 1986.CrossRefADSGoogle Scholar
  4. [4]
    M. Born and K. Huang, Dynamical Theory of Crystal Lattices, Clarendon Press, Oxford, 1954.MATHGoogle Scholar
  5. [5]
    J. Broughton and X.P. Li, “Phase diagram of silicon by molecular dynamics”, Phys. Rev. B, 35, 9120–9127, 1987.CrossRefADSGoogle Scholar
  6. [6]
    S.P. Phillpot, J.F. Lutsko, D. Wolf, and S. Yip, “Molecular-dynamics simulation of lattice-defect-nucleated melting in silicon”, Phys. Rev. B, 40, 2831–2840, 1989.CrossRefADSGoogle Scholar
  7. [7]
    S.R. Phillpot, S. Yip, and D. Wolf, “How crystals melt”, Comput. in Phys., 3, 20, 1989.ADSGoogle Scholar
  8. [8]
    J.F. Lutsko, D. Wolf, S.R. Phillpot, and S. Yip, “Molecular-dynamics study of latticedefect-nucleated melting in metals using an embedded atom method potential”, Phys. Rev. B, 40, 2841–2855, 1989.CrossRefADSGoogle Scholar
  9. [9]
    M. Born, J. Chem. Phys., 7, 591, 1939.CrossRefADSGoogle Scholar
  10. [10]
    M. Born, Proc. Cambridge Philos. Soc., 36, 160, 1940.CrossRefMathSciNetGoogle Scholar
  11. [11]
    J. Wang, J. Li, S. Yip, D. Wolf, and S. Phillpot, “Unifying two criteria of born: elastic instability and melting of homogenous crystals”, Physica A, 240, 396–403, 1997.CrossRefADSGoogle Scholar
  12. [12]
    J. Ray, “Elastic constants and statistical ensembles in molecular dynamics,“ Comput. Phys. Rep., 8, 111–151, 1988.CrossRefADSGoogle Scholar
  13. [13]
    L.L. Boyer, Phase Transitions, 5, 1, 1985.CrossRefGoogle Scholar
  14. [14]
    J.L. Tallon, Crystal instability and melting, Nature, 342, 658–658, 1989.CrossRefADSGoogle Scholar
  15. [15]
    J. Wang, J. Li, S. Yip, S. Phillpot, and D. Wolf, “Mechanical instabilities of homogenous crystals”, Phys. Rev. B, 52, 12627–12635, 1985.CrossRefADSGoogle Scholar
  16. [16]
    H. Gleiter and B. Chalmers, High-Angle Boundaries, Pergamon, Oxford, p. 113, 1972.Google Scholar
  17. [17]
    V. Pontikis, “Grain-boundary structure and phase transformations-a critical review of computer-simulation studies and comparison with experiments”, J. de Phys., 49,C5, 327–338, 1988.Google Scholar
  18. [18]
    T.E. Hsieh and R.W. Balluffi, “Experimental study of grain-boundary melting in aluminum”, Acta Metall., 37, 1637–1644, 1989.CrossRefGoogle Scholar
  19. [19]
    T. Nguyen, P.S. Ho, T. Kwok, C. Nitta, and S. Yip, “Thermal structural disorder and melting at a crystalline interface”, Phys. Rev. B, 10, 6050–6060, 1992.CrossRefADSGoogle Scholar
  20. [20]
    F.H. Stillinger and T.A. Weber, “Computer simulation of local order in condensed phases of silicon”, Phys. Rev. B, 31, 5262–5271, 1985.CrossRefADSGoogle Scholar
  21. [21]
    W.L. Johnson, “Thermodynamics and kinetic aspects of the crystal to glass TRna sition in metallic materials”, Prog. Mat. Sci., 30, 81–134, 1986.CrossRefGoogle Scholar
  22. [22]
    P.R. Okamoto and M. Meshii, In: H. Wiedersich and M. Meshii (eds.), Science of Advanced Materials, ASM International, Metals Park, OH, p. 33, 1990.Google Scholar
  23. [23]
    M. de Koning, A. Antonelli, and S. Yip, “Single-simulation determination of phase boundaries: a dynamic clausius-clapeyron integration method”, J. Chem. Phys., 115, 11025–11035, 2001.CrossRefADSGoogle Scholar
  24. [24]
    Z.H. Jin, P. Gumbsch, K. Lu, and E. Ma, “Melting mechanisms at he limit of superheating”, Phys. Rev. Lett., 87, 055703, 2001.CrossRefADSGoogle Scholar

Copyright information

© Springer 2005

Authors and Affiliations

  • Sidney Yip
    • 1
  • Simon R. Phillpot
    • 2
  • Dieter Wolf
    • 3
  1. 1.Department of Nuclear Science and EngineeringMassachusetts Institute of TechnologyCambridgeUSA
  2. 2.Department of Materials Science and EngineeringUniversity of FloridaGainesvilleUSA
  3. 3.Materials Science DivisionArgonne National LaboratoryArgonneUSA

Personalised recommendations