Computational modeling reveals realistic grain boundary structures in nanocrystalline aluminum thin films via cylindrical sintering, indicating improved atomistic modeling fidelity.
This deposit contains the preprint of the manuscript: "A cylindrical sintering method for more realistic grain boundaries in nanocrystalline thin films" by Ankit Yadav, [co-authors], and Jan Fikar. Contents:- Complied preprint file (.pdf)The manuscript introduces the cylindrical sintering (CS) method for constructing nanocrystalline aluminum thin-film samples with realistic, disordered grain boundaries while retaining deterministic control over grain size, shape, and orientation. CS samples are benchmarked against sintered hexagonal Voronoi (HV) references under identical conditions using two interatomic potentials — the classical Pascuet15 MEAM potential and the tabGAP machine-learning potential — across grain sizes from 4.84 to 40.34 nm. The deposit accompanies the journal submission and provides full reproducibility of all figures and results reported in the manuscript.
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Yadav et al. (2026) studied this question.
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