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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. https://w3id.org/delphi/resource/assessment/buehler-2007-silicon-crack-02--gemini http://purl.org/dc/terms/subject https://w3id.org/delphi/resource/concept/dataset-resolvability-0.2.0 https://w3id.org/delphi/resource/assessment/buehler-2007-silicon-crack-02--gemini http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/delphi/ontology/LLMClaimAssessment https://w3id.org/delphi/resource/assessment/buehler-2007-silicon-crack-02--gemini http://www.w3.org/2000/01/rdf-schema#comment Proposed test with existing data: Run reactive MD (ReaxFF) and quantum-accurate machine-learning or tight-binding crack-tip simulations of single-crystal silicon in LAMMPS, perform ring-topology analysis at the crack tip as load approaches the critical threshold, and test whether a 6-membered to 5-7 double-ring reconstruction 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https://www.lammps.org/ https://w3id.org/delphi/resource/evidence/buehler-2007-silicon-crack-02--gemini--dataset-2 http://purl.org/dc/terms/description Standardized silicon interatomic potentials for comparing whether 5-7 ring reconstruction is genuine or force-field-specific https://w3id.org/delphi/resource/evidence/buehler-2007-silicon-crack-02--gemini--dataset-2 http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/delphi/ontology/EvidenceItem https://w3id.org/delphi/resource/evidence/buehler-2007-silicon-crack-02--gemini--dataset-2 http://www.w3.org/2000/01/rdf-schema#label Candidate dataset: OpenKIM Repository https://w3id.org/delphi/resource/evidence/buehler-2007-silicon-crack-02--gemini--dataset-2 http://www.w3.org/ns/prov#wasDerivedFrom https://openkim.org/ https://w3id.org/delphi/resource/evidence/buehler-2007-silicon-crack-02--gemini--dataset-3 http://purl.org/dc/terms/description Reference DFT silicon polymorph and defect energetics for benchmarking crack-tip 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