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Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Fe self-diffusion
Atomistic rigid lattice Kinetic Monte Carlo (KMC) is an efficient method for simulating nano-objects and surfaces at timescales much longer than those accessible by molecular dynamics. A laborious and non-trivial part of constructing any KMC model is, however, to calculate all migration barriers tha...
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| Vydáno v: | Data Brief |
|---|---|
| Hlavní autoři: | , , , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Elsevier
2018
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5997586/ https://ncbi.nlm.nih.gov/pubmed/29900356 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2018.04.060 |
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