Calculation of crystal-melt interfacial free energies of fcc metals
| Autor: | Weidong Huang, Meng Wang, Huaguang Zhou, Xin Lin |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
Materials science
Nucleation Thermodynamics Inverse Radius Condensed Matter Physics Condensed Matter::Soft Condensed Matter Inorganic Chemistry Crystal Crystallography Molecular dynamics medicine.anatomical_structure Condensed Matter::Superconductivity Materials Chemistry medicine Melting point Supercooling Nucleus |
| Zdroj: | Journal of Crystal Growth. 366:82-87 |
| ISSN: | 0022-0248 |
| DOI: | 10.1016/j.jcrysgro.2012.12.010 |
| Popis: | Crystal-melt interfacial free energies of fcc metals were calculated by molecular dynamics simulation. Spherical crystal nucleus was embedded in the undercooled melt to create an ideal model of homogeneous nucleation. Growth and melting behaviors of the nucleus were examined. There was a critical temperature dividing growth and melting of the nucleus. The critical undercooling, as the difference between the critical temperature and the bulk melting point, was proportional to the inverse of the nucleus radius, which is regarded as the Gibbs–Thomson effect. The Gibbs–Thomson coefficient was determined from the relation between the critical undercooling and the nucleus radius. The crystal-melt interfacial free energies, which were estimated from the Gibbs–Thomson coefficients, were consistent with the experimental results of Turnbull. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect