Abstract
In this contribution, we present the fundamental background of a thermoelastic criterion for surface melting with applications in Monte Carlo and/or Molecular Dynamics studies of atomic slabs and interfaces. As an example, we show some simulation results for different faces of Lennard-Jones (Ar) and Buckminster fullerene (C60) crystals. It turns out that for some of these systems the surface layer melts below the bulk melting point.
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References
J.F. van der Veen and J.W.M. Frenken, Surface Sci. 178 (1986) 382
B.B. Liard and A.D.J. Haymet, Chem. Rev. 92 (1992) 1819
J.Q. Broughton and G.H. Gilmer, J. Chem. Phys. 84 (1986) 5749
J.P. van der Eerden, H.J.F. Knops and A. Roos, J. Chem. Phys. 96 (1992) 714
J.P. van der Eerden, T.H.M. van den Berg, J. Huinink and H.J.F. Knops, J.Crystal Growth 128 (1993) 57
W. Voigt, Lehrbuch der Kristallphysik (Teubner, Berlin, 1928)
F.D. Mumaghan, Am. J. Math 59 (1937) 235
L. Brillouin, Tensors in Mechanics and Elasticity (Academic Press, New York, 1964)
D.C. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972)
K. Huang, Proc. Roy. Soc. (London) A203 (1950) 178
C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1986)
J. P. van der Eerden, in Science and Technology of Crystal Growth, Eds. J.P. van der Eerden and O.S.L. Bruinsma (Kluwer Academic Publishers, Dordrecht, 1995) ch. 1.2
M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Clarendon Press, Oxford, 1966)
J. Ray and A. Rahman, J. Chem. Phys. 80 (1984) 4423
J. Ray and A. Rahman, Phys. Rev. B32 (1985) 733
J.F. Lutsko, J. Appl. Phys. 65 (1989) 2991
J.F. Lutsko, in Computer Simulation in Materials Science, Eds. M. Meyer and V. Pontikis (Kluwer Academic Publishers, The Netherlands, 1991) 335
K.W. Jacobsen, J. Norskov and M.J. Puska, Phys. Rev. B35 (1987) 7423
J.F. Lutsko, J. Appl. Phys. 64 (1988) 1152
P. Schoneld and J.R. Henderson, Proc. R. Soc. Lond. A379 (1982) 231
F.D. Murnaghan, Finite Deformation of an Elastic Solid (Wiley, New York, 1951)
S.W. Lovesey, Theory of Neutron Scattering from condensed Matter 2 (Clarendon Press, Oxford, 1984)
H. Goldstein, Classical Mechanics (Addison-Wesley, Massachusetts, 1980)
J.H. Weiner, Statistical Mechanics of Elasticity (Wiley, New York, 1983)
D.N. Zubarev, Nonequilibrium Statistical Thermodynamics (Consultants Bureau, New York, 1974)
R.A. Piccirelli, Phys. Rev. 175 (1968) 77
J.H. Irving and J.G. Kirkwood, J. Chem. Phys. 18 (1950) 817
T.H.M. van den Berg and J.P. van der Eerden (private notes, 1994)
L.A. Girifalco, J. Phys. Chem. 96 (1992) 858
M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987)
M.H.J. Hagen, E.J. Meijer, G.C.A.M. Mooij, D. Frenkel and H. Lekkerkerker, Nature 365 (1993) 425
A.Cheng, M.L. Klein and C. Caccamo, Phys. Rev. Lett. 71 (1993) 1200
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Van Den Berg, T.H.M., Van Der Eerden, J.P. (1995). From Thermoelasticity to Surface Melting. In: van der Eerden, J.P., Bruinsma, O.S.L. (eds) Science and Technology of Crystal Growth. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-0137-0_4
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DOI: https://doi.org/10.1007/978-94-011-0137-0_4
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