Use of computational intelligence for the prediction of vacancy migration energies in atomistic kinetic monte carlo simulations
procedures for the calculation of point-defect migration energies in Atomistic Kinetic Monte Carlo (AKMC) simulations, as functions of the Local Atomic Configuration (LAC). Two approaches are considered: the Cluster Expansion (CE) and the Artificial Neural Network (ANN). The first is found to be unp...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer
2008-12-01
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| Series: | International Journal of Computational Intelligence Systems |
| Subjects: | |
| Online Access: | https://www.atlantis-press.com/article/1797.pdf |