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The Lattice Kinetic Monte Carlo Simulation of Atomic Diffusion and Structural Transition for Gold
For the kinetic simulation of metal nanoparticles, we developed a self-consistent coordination-averaged energies for Au atoms based on energy properties of gold bulk phases. The energy barrier of the atom pairing change is proposed and holds for the microscopic reversibility principle. By applying t...
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| Publicat a: | Sci Rep |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Nature Publishing Group
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5024106/ https://ncbi.nlm.nih.gov/pubmed/27629538 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep33128 |
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