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A Kinetic Monte Carlo Tool for Computation of Epitaxial Processes Programmed in Julia

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Title
A Kinetic Monte Carlo Tool for Computation of Epitaxial Processes Programmed in Julia
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23
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CC Attribution 3.0 Germany:
You are free to use, adapt and copy, distribute and transmit the work or content in adapted or unchanged form for any legal purpose as long as the work is attributed to the author in the manner specified by the author or licensor.
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Release Date2023
LanguageEnglish

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Abstract
The programme language Julia combines the structure of python with high performance in computing. This allows to develop a concept with general modules like setting energies and performing the update of configurations. The general concept will be presented together with first examples for Si on Si(100) and AlN on AlN(0001). In both cases we use potential models for computing energies and diffusion barriers. In the case of silicon we use the Stillinger-Weber potential, for AlN the Tersoff potential.