An approach towards a self-consistent EAM model for bcc metals Lithium and Vanadium
DOI:
https://doi.org/10.62292/njp.v32i4.2023.177Keywords:
Embedding function, MEAM92, ExperimentalAbstract
Recently, a four-parameter embedding function that is sufficiently rich to handle both positive and negative Cauchy discrepancy has been produced by modifying the embedding function of Yuan et al. (2003)1, a modification to MEAM92, which failed to produce a reasonable surface energy when applied to bcc Vanadium V. We compute the three low-index surface energies of Li and V using the novel model Generalized Embedding Atom method (GEAM) (Oni-Ojo et al, 2007) parameters (iterated values), and the results fall within the experimental average.
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Published
2024-02-05
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How to Cite
An approach towards a self-consistent EAM model for bcc metals Lithium and Vanadium. (2024). Nigerian Journal of Physics, 32(4), 169-173. https://doi.org/10.62292/njp.v32i4.2023.177