{"id":"W4392269279","doi":"10.1016/j.jmgm.2024.108733","title":"Mechanical behaviors of CL-20 under an impact loading: A molecular dynamics study","year":2024,"lang":"en","type":"article","venue":"Journal of Molecular Graphics and Modelling","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":3,"is_retracted":false,"has_abstract":false,"ca_institutions":"Ministry of Education and Child Care","funders":"Central South University","keywords":"Molecular dynamics; Anisotropy; Indentation; Materials science; Impact energy; Crystal (programming language); Diamond; Chemical physics; Composite material; Chemistry; Physics; Computer science; Computational chemistry; Optics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001231926,0.0002009909,0.00021564,0.0003685218,0.0003738446,0.0002639787,0.0005127083,0.0004326791,0.005635273],"category_scores_gemma":[0.0003642213,0.0001233296,0.0001537608,0.0003755592,0.0003086022,0.0004316834,0.0002181522,0.0002961987,0.0003806311],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003833859,"about_ca_system_score_gemma":0.0003568021,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003953784,"about_ca_topic_score_gemma":0.003444391,"domain_scores_codex":[0.9998819,0.000004930497,0.000003517734,0.000023385,0.00004138058,0.00004481191],"domain_scores_gemma":[0.9998859,0.00003164736,0.00001851014,0.000007728539,0.00003287577,0.00002335189],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001249629,0.0004375905,0.005872956,0.000228957,0.00002383439,0.0006373298,0.000409684,0.01873225,0.9610853,0.001144771,0.0008558121,0.009321928],"study_design_scores_gemma":[0.0001234292,0.002160422,0.05173144,0.00005393757,0.00004417973,0.0003678166,0.000888721,0.2105002,0.725781,0.000588069,0.007645295,0.0001153937],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979613,0.000142168,0.0001893544,0.00003089352,0.000005686728,0.000006096421,0.0001604273,0.0000135178,0.001490549],"genre_scores_gemma":[0.9987165,0.00008886732,0.0001755318,0.0000112291,0.00000164601,0.000004671891,0.000237526,0.000008857316,0.0007552353],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005635273,"threshold_uncertainty_score":0.01885182,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01642236582852294,"score_gpt":0.2628467238541408,"score_spread":0.2464243580256178,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}