Failure to Reproduce the Results of "A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses''

François-Xavier Coudert

doi:10.1016/j.jnoncrysol.2023.122423

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arXiv · 2305.14958

Failure to Reproduce the Results of "A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses''

François-Xavier Coudert

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Abstract

We reproduced the simulations described in Wang et al [J. Non-Cryst. Sol., 498 (2018) 294-304] and found we could not obtain the results reported. The root cause was identified to be incorrect atom masses in the original simulation files. As a consequence, the potential does not reproduce the experimental glass density -- and presumably, other structural properties -- and should be considered with great caution.

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François-Xavier Coudert. 2023-05-24. Failure to Reproduce the Results of "A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses''. https://doi.org/10.1016/j.jnoncrysol.2023.122423

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