Free energy of crystal-liquid interface

被引:99
作者
Jiang, Q [1 ]
Shi, HX [1 ]
Zhao, M [1 ]
机构
[1] Jilin Univ Technol, Dept Mat Sci & Engn, Changchun 130025, Peoples R China
基金
中国国家自然科学基金;
关键词
liquids; superconductors; metallic; organic; thermodynamics; surfaces & interfaces;
D O I
10.1016/S1359-6454(99)00085-3
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
it is demonstrated that a simple model, free of any adjustable parameter, can be developed to predict the free energy of a crystal-liquid interface sigma(sl) based on the Gibbs-Thomson equation and a model for the size-dependent melting temperature. This model has improved Turnbull's empirical equation. In the model, sigma(sl) depends on not only the melting enthalpy of crystals, but also the vibrational component of the overall melting entropy of the crystals. The predicted values of sigma(sl) for different types of crystals, such as true metals, meta metals, semiconductors, ionic crystals and organic crystals, are confirmed by available experimental results in the experimental error range. (C): 1999 Acta Metallurgica Inc. Published by Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:2109 / 2112
页数:4
相关论文
共 30 条
[1]   CAPILLARITY-INDUCED FILLING OF CARBON NANOTUBES [J].
AJAYAN, PM ;
IIJIMA, S .
NATURE, 1993, 361 (6410) :333-334
[2]   INCOMPLETE MELTING OF THE AU(100) SURFACE [J].
BILALBEGOVIC, G ;
TOSATTI, E .
PHYSICAL REVIEW B, 1993, 48 (15) :11240-11248
[3]   MOLECULAR-DYNAMICS INVESTIGATION OF THE CRYSTAL FLUID INTERFACE .6. EXCESS SURFACE FREE-ENERGIES OF CRYSTAL LIQUID-SYSTEMS [J].
BROUGHTON, JQ ;
GILMER, GH .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) :5759-5768
[4]   A SIMPLE-MODEL FOR COHERENT EQUILIBRIUM [J].
CAHN, JW ;
LARCHE, F .
ACTA METALLURGICA, 1984, 32 (11) :1915-1923
[5]  
CHRISTIAN JW, 1981, THEORY TRANSFORMATIO, P419
[6]   THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].
DEWAR, MJS ;
ZOEBISCH, EG ;
HEALY, EF ;
STEWART, JJP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909
[7]   MAXIMUM OVERHEATING AND PARTIAL WETTING OF NONMELTING SOLID-SURFACES [J].
DITOLLA, FD ;
ERCOLESSI, F ;
TOSATTI, E .
PHYSICAL REVIEW LETTERS, 1995, 74 (16) :3201-3204
[8]   HELICAL MICROTUBULES OF GRAPHITIC CARBON [J].
IIJIMA, S .
NATURE, 1991, 354 (6348) :56-58
[9]   THE MELTING BEHAVIOR OF ORGANIC MATERIALS CONFINED IN POROUS SOLIDS [J].
JACKSON, CL ;
MCKENNA, GB .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (12) :9002-9011
[10]   Vitrification and crystallization of organic liquids confined to nanoscale pores [J].
Jackson, CL ;
McKenna, GB .
CHEMISTRY OF MATERIALS, 1996, 8 (08) :2128-2137