{"id":"W3044631606","doi":"10.1080/08927022.2020.1791859","title":"Molecular dynamics simulations of nanoindentation – the importance of force field choice on the predicted elastic modulus of FCC aluminum","year":2020,"lang":"en","type":"article","venue":"Molecular Simulation","topic":"Metal and Thin Film Mechanics","field":"Engineering","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Bombardier Transportation","keywords":"Nanoindentation; ReaxFF; Elastic modulus; Materials science; Molecular dynamics; Modulus; Force field (fiction); Indentation; Young's modulus; Bulk modulus; Composite material; Computational chemistry; Chemistry; Interatomic potential; Physics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009651144,0.0001213751,0.0001684508,0.00004033865,0.00003192066,0.000006572658,0.0001782948,0.00007880385,0.00002378029],"category_scores_gemma":[0.0004527341,0.00009128885,0.00009621977,0.0003530172,0.00002482752,0.00005596042,0.00002907413,0.0001248576,9.518401e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002365261,"about_ca_system_score_gemma":0.00001727301,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006832868,"about_ca_topic_score_gemma":0.000008181669,"domain_scores_codex":[0.9989752,0.00006010507,0.0004056319,0.0001244367,0.0003312608,0.000103436],"domain_scores_gemma":[0.9991423,0.0002401399,0.000178154,0.0002893709,0.0001197369,0.00003022219],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00001699569,0.00001489856,0.0003451924,0.00007405617,0.00005342872,8.75264e-7,0.0002359541,0.8934284,0.09901263,0.006581636,0.000006099686,0.0002298015],"study_design_scores_gemma":[0.000192655,0.00009276647,0.0005188832,0.000026728,0.00005450351,1.471203e-7,0.0000296629,0.8252193,0.1723589,0.001431643,0.00001150662,0.00006324484],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6699378,0.00004097844,0.3292243,0.0001461339,0.0001177515,0.000278971,0.00003127749,0.00002611836,0.0001966073],"genre_scores_gemma":[0.9994931,0.000001882523,0.0002110963,0.0001660249,0.0000145604,0.000006575424,0.00006846156,0.0000230946,0.00001525928],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3295552,"threshold_uncertainty_score":0.3722651,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01137386514610301,"score_gpt":0.2243169768065268,"score_spread":0.2129431116604238,"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."}}