Fundamentals of the theory of melting of simple substances with consideration of their defects

The effect of premelting is of particular interest in connection with the theory of melting. In this paper, we discuss the structural and dynamical properties of the surfaces of semi-infinite crystals as well as of nano-clusters, which show the effect of premelting. The investigations are based on molecular-dynamics calculations: different models are used for the systematic study of the effect of premelting. In particular, the behaviour of the following functions have been studied: pair correlation function, generalized phonon density of states, and the mean-square displacement as a function of time. The calculations have been done for krypton since for this substance a reliable interaction potential is available.

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A theory of melting in metallic small particles

Journal of Physics F Metal Physics ◽

10.1088/0305-4608/10/4/013 ◽

1980 ◽

Vol 10 (4) ◽

pp. 619-635 ◽

Cited By ~ 68

Author(s):

M Hasegawa ◽

M Watabe ◽

K Hoshino

Keyword(s):

Small Particles ◽

Theory Of Melting

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Theory of Melting at High Pressures. II

Progress of Theoretical Physics ◽

10.1143/ptp.47.1801 ◽

1972 ◽

Vol 47 (6) ◽

pp. 1801-1816 ◽

Cited By ~ 14

Author(s):

Takeshi Yoshida ◽

Shiro Kamakura

Keyword(s):

High Pressures ◽

Theory Of Melting

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KINETICS OF SOLIDIFICATION

Canadian Journal of Physics ◽

10.1139/p56-054 ◽

1956 ◽

Vol 34 (5) ◽

pp. 473-490 ◽

Cited By ~ 112

Author(s):

K. A. Jackson ◽

Bruce Chalmers

Keyword(s):

Free Energy ◽

Kinetic Theory ◽

Experimental Observation ◽

Homogeneous Nucleation ◽

Solid Phase ◽

Equilibrium Temperature ◽

Point Of View ◽

Theory Of Melting ◽

Kinetics Of ◽

Thermodynamic Equations

The kinetic theory of melting and freezing is developed from consideration of atom movements at an interface between solid and liquid. The equations developed are shown to have the same form as the corresponding thermodynamic equations. The homogeneous nucleation of a solid phase in a liquid is then considered from the point of view of this theory. Agreement with experimental observation is obtained on the following points. (1) The supercooling at which homogeneous nucleation occurs is proportional to the absolute equilibrium temperature. (2) The surface free energy per atom used in the quasi-thermodynamic treatment of nucleation should be equal to one-half the latent heat per atom. (3) The amount of liquid supercooled has a very small effect on the temperature at which homogeneous nucleation occurs.

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