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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Detalles Bibliográficos
Autores principales: He, Xiang, Cheng, Feng, Chen, Zhao-Xu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5024106/
https://www.ncbi.nlm.nih.gov/pubmed/27629538
http://dx.doi.org/10.1038/srep33128

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5024106/
https://www.ncbi.nlm.nih.gov/pubmed/27629538
http://dx.doi.org/10.1038/srep33128

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