Articles with "atomistic modelling" as a keyword



Magnetic atomistic modelling and simulation of nanocrystalline thin films

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Published in 2017 at "Superlattices and Microstructures"

DOI: 10.1016/j.spmi.2017.02.032

Abstract: Abstract In this study, a methodology, for polycrystalline magnetic thin films construction composed by nano-grains, was developed. The size and shape of grains and samples under scale considerations of magnetic materials were developed, taking into… read more here.

Keywords: thin films; simulation nanocrystalline; atomistic modelling; nanocrystalline thin ... See more keywords
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First-Principle and Atomistic Modelling in Materials Science

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Published in 2021 at "Materials"

DOI: 10.3390/ma14061469

Abstract: In the last two decades, the importance of Computational Materials Science has continuously increased due to the steadily growing availability of computer power [...]. read more here.

Keywords: first principle; atomistic modelling; science; materials science ... See more keywords