{"id":"W2391023476","doi":"","title":"Molecular dynamics calculation of macroscopic properties for precious metal Au","year":2004,"lang":"en","type":"article","venue":"","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"CAE (Canada)","funders":"","keywords":"Molecular dynamics; Embedded atom model; Materials science; Interatomic potential; Shear modulus; Bulk modulus; Atom (system on chip); Metal; Modulus; Thermodynamics; Surface energy; Chemistry; Computational chemistry; Physics; Composite material; Metallurgy","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":[0.0002062338,0.0003585352,0.0006770152,0.0004122888,0.0007906284,0.0005055108,0.0009350855,0.000811192,0.003691127],"category_scores_gemma":[0.00059314,0.0002992184,0.000404361,0.0004625643,0.0004181598,0.0005536933,0.0002743469,0.0007152812,0.0002896236],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001228373,"about_ca_system_score_gemma":0.001168951,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01115216,"about_ca_topic_score_gemma":0.007221368,"domain_scores_codex":[0.9999136,0.00001599869,0.000002796163,0.00001204341,0.00003590031,0.00001974614],"domain_scores_gemma":[0.9997991,0.00008267285,0.00001415438,0.00002398119,0.00005504127,0.00002506051],"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":[0.00007721631,0.00007795281,0.0009789481,0.00009785719,0.0000305081,0.0001731901,0.00007572411,0.9658865,0.006364614,0.02135996,0.0006401247,0.00423733],"study_design_scores_gemma":[0.00002085148,0.00001435615,0.0002398875,0.000002961272,0.000003655591,0.000007819737,0.000006151178,0.9975788,0.0008996666,0.0008604604,0.0003598982,0.000005527173],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8550413,0.0006502001,0.1073142,0.000785185,0.000128651,0.0001834344,0.001205096,0.0005861569,0.03410566],"genre_scores_gemma":[0.9666285,0.0003276189,0.02835315,0.00007382178,0.0000212989,0.0003058702,0.0006262386,0.00009514933,0.003568416],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01115216,"threshold_uncertainty_score":0.02217448,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01746816701155854,"score_gpt":0.2409912278164622,"score_spread":0.2235230608049036,"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."}}