| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Jansson, Ville
University of Helsinki
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2020Application of artificial neural networks for rigid lattice kinetic Monte Carlo studies of Cu surface diffusioncitations
- 2020Tungsten migration energy barriers for surface diffusioncitations
- 2019Au nanowire junction breakup through surface atom diffusioncitations
- 2018Simulations of surface stress effects in nanoscale single crystalscitations
- 2018Migration barriers for surface diffusion on a rigid lattice : Challenges and solutionscitations
- 2018Migration barriers for surface diffusion on a rigid latticecitations
- 2018Au nanowire junction breakup through surface atom diffusioncitations
- 2016Long-term stability of Cu surface nanotipscitations
- 2011Interaction of Carbon with Vacancy and Self-Interstitial Atom Clusters in [alpha]-Iron Studied using Metallic-Covalent Interatomic Potentialcitations
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article
Tungsten migration energy barriers for surface diffusion
Abstract
<p>We have calculated the migration barriers for surface diffusion on tungsten. Our results form a self-sufficient parameterisation for kinetic Monte Carlo simulations of arbitrarily rough atomic tungsten surfaces, as well as nanostructures such as nanotips and nanoclusters. The parameterisation includes first- and second-nearest neighbour atom jump processes, as well as a third-nearest neighbour exchange process. The migration energy barriers of all processes are calculated with the nudged elastic band method. The same attempt frequency for all processes is found sufficient and the value is fitted to molecular dynamics simulations. The model is validated by correctly simulating with kinetic Monte Carlo the energetically favourable W nanocluster shapes, in good agreement with molecular dynamics simulations.</p>