https://w3id.org/np/RAlpE99io2Zwmsk8F-5c1o2b2Zqyjlr-K0dLwPh4sSpcQ
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dc:description "Because this is an explicit atomistic mechanism claim about silicon crack-tip ring topology in reactive MD, it can be directly tested today by re-running silicon fracture simulations in LAMMPS with public ReaxFF parameters and comparing against DFT or machine-learned silicon potentials in OpenKIM. Ring-statistics analysis of the crack tip immediately tests both whether the 6-to-5-7 transformation occurs in ReaxFF and whether it survives higher-accuracy quantum descriptions.";
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