Solid-liquid Interface Energy of Metals at Melting Point and Undercooled State
نویسندگان
چکیده
By investigating the effects of the configurational entropy, the vibrational entropy and the bonding strength of solid-liquid atoms on the structure of solid-liquid interface, a model for the interface energy of rough solid-liquid interface has been developed. From present model, the non-dimensional solid-liquid interface energies for metals at melting point are predicted to be 0.66–0.73, which are almost equal to the experimental result (0.66–0.75) obtained from grain boundary method. The solid-liquid interface energy decreases with increasing undercooling. At the maximum undercoolings that metals have reached, the non-dimensional solid-liquid interface energies predicted from present model are equal to 0.52–0.56. They are near to the experimental results (0.49–0.57) obtained from nucleation undercooling method. The predicted results of solid-liquid interface energy for metals from present model are in very good agreement with the experimentally measured results at melting point and undercooled state.
منابع مشابه
Investigation of Thermodynamic Properties of Heavy Metals from Melting and Critical Point Properties
A statistical mechanical based equation of state has been employed to calculate the liquid density of lead, mercury, bismuth and lead-bismuth and lead-lithium eutectic alloys.The equation is basically that of Song, Mason and Ihm [Ihm G, Song Y, Mason EA. J. Chem. Phys.1991; 94: 3839] which is modified by Ghatee and Boushehri. Three temperature dependent parameters are required to use this e...
متن کاملHeat capacity of rare earth metals near the melting point and the vacancy mechanism of melting
The vacancy mechanism of the melting process is utilized as a starting point for deriving the formula for the difference of the heat capacity of the liquid and solid metal in the neighbourhood of the melting point. From these calculations it follows that the difference C,, C,, is the same for all the metals and equals 3.50 J g.atom-' K-'. This result is compared with the existing in the literat...
متن کاملMolecular dynamics study of the phase transition in the bcc metal nanoparticles
Submitted for the MAR09 Meeting of The American Physical Society Molecular dynamics study of the phase transition in the bcc metal nanoparticles YASUSHI SHIBUTA, TOSHIO SUZUKI, The University of Tokyo — The phase transition between liquid and solid phases in bcc metal nanoparticles was investigated using a molecular dynamics simulation. The nucleation from an undercooled liquid droplet was obse...
متن کاملGrain size limit of nanocrystalline materials obtained by annealing glasses
A lower limit for the grain size of nanocrystalline solids obtained by crystallization of the glass and its dependency on the crystallization temperature are thermodynamically considered. It is found that the nanocrystalline materials have the smallest grain size when the crystallization temperature is roughly half of the melting temperature. At this temperature, the Gibbs free energy differenc...
متن کاملThe solid-liquid interfacial free energy out of equilibrium
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equilibrium conditions at which the interfacial free energy is ill-defined. Here we draw a connection between the atomistic description of a diffus...
متن کامل