Perturbation theory of solid-liquid interfacial free energies of bcc metals
| Title | Perturbation theory of solid-liquid interfacial free energies of bcc metals |
| Publication Type | Journal Article |
| Year of Publication | 2012 |
| Authors | Warshavsky VB, Song XY |
| Journal Title | Physical Review E |
| Volume | 86 |
| Pages | 031602 |
| Date Published | 09 |
| Type of Article | Article |
| ISBN Number | 1539-3755 |
| Accession Number | WOS:000308873500003 |
| Keywords | classical solids, density distribution, fluid, fundamental measure-theory, hard-sphere crystal, lennard-jones system, phases, simulation, state, transition |
| Abstract | A perturbation theory is used to calculate bcc solid-liquid interfacial free energies of metallic systems with embedded-atom model potentials. As a reference system for bcc crystals we used a single-occupancy cell, hard-sphere bcc system. Good agreements between the perturbation theory results and the corresponding results from simulations are found. The strategy to extract hard-sphere bcc solid-liquid interfacial free energies may have broader applications for other crystal lattices. |
| URL | <Go to ISI>://WOS:000308873500003 |
| DOI | 10.1103/PhysRevE.86.031602 |
| Alternate Journal | Phys. Rev. E |
