Data sets and trained neural networks for Cu migration barriers

Data sets and trained neural networks for Cu migration barriers

Kinetic Monte Carlo (KMC) is an efficient method for studying diffusion. A limiting factor to the accuracy of KMC is the number of different migration events allowed in the simulation. Each event requires its own migration energy barrier. The calculation of these barriers may be unfeasibly expensive...

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Bibliographic Details
Main Authors: Jyri Kimari, Ville Jansson, Simon Vigonski, Ekaterina Baibuz, Roberto Domingos, Vahur Zadin, Flyura Djurabekova
Format: Article
Language:English
Published: Elsevier 2020-10-01
Series:Data in Brief
Subjects:
Copper
Kinetic Monte Carlo
Artificial neural networks
Machine learning
Surface diffusion
Migration barriers
Online Access:http://www.sciencedirect.com/science/article/pii/S2352340920309884

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http://www.sciencedirect.com/science/article/pii/S2352340920309884

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