Author： Jin Z. H.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3036
Source： Philosophical Magazine Letters, Vol.78, Iss.1, 1998-07, pp. : 29-35
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Abstract
Molecular dynamics simulations have been carried out to show the adequacy of the homogeneous nucleation theory in understanding the intrinsic superheating behaviour of bulk single crystals without free surfaces. The melting point of the simulated ideal bulk Al single crystal is found to be 1.22T0 (T0 is the thermodynamic equilibrium melting point) which is higher than the melting points of free surfaces such as (110) and (111). This melting point is close to the value predicted using homogeneous nucleation theory, but lower than those predicted on the basis of entropic or mechanical catastrophes. The analysis indicated that the homogeneous nucleation theory can provide reasonable criteria for possible superheatings of single crystals and a useful clue to understanding the superheating behaviour of real materials.
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