{"id":"W2464682064","doi":"10.1103/physreve.92.032132","title":"Massively parallel molecular dynamics simulation of formation of ice-crystallite precursors in supercooled water: Incipient-nucleation behavior and role of system size","year":2015,"lang":"en","type":"article","venue":"Physical Review E","topic":"Material Dynamics and Properties","field":"Materials Science","cited_by":45,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Royal Irish Academy; Ireland Canada University Foundation","keywords":"Supercooling; Nucleation; Crystallite; Molecular dynamics; Chemical physics; Materials science; Kinetic energy; Thermodynamics; Statistical physics; Chemistry; Computational chemistry; Physics; Classical mechanics","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":[0.0002800008,0.0003620207,0.0005260361,0.0003175397,0.0005963171,0.0004748783,0.0008237443,0.0007204987,0.001407363],"category_scores_gemma":[0.0009538034,0.0003213024,0.0003686815,0.000339333,0.0006170309,0.0004859155,0.0003395801,0.0008045044,0.0000902902],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001037994,"about_ca_system_score_gemma":0.0008993393,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02201748,"about_ca_topic_score_gemma":0.01480803,"domain_scores_codex":[0.9999347,0.0000124803,0.000002480225,0.00001135334,0.0000129616,0.00002598737],"domain_scores_gemma":[0.9996382,0.0002003338,0.00003368815,0.00002055886,0.00004322107,0.00006391925],"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":[0.0002776454,0.0002083768,0.008272712,0.0000465026,0.00005022781,0.0001589916,0.0001343825,0.9798631,0.005626021,0.002538912,0.0002567641,0.002566228],"study_design_scores_gemma":[0.00002262773,0.00003253965,0.0007020452,0.000001386429,0.000003708881,0.00000344312,0.00001671317,0.9983054,0.0006955778,0.0001475651,0.00006635714,0.000002659521],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965537,0.00003356599,0.001724532,0.00008454067,0.000008377568,0.00002108995,0.0001092374,0.00004597795,0.001418976],"genre_scores_gemma":[0.9975908,0.00004264272,0.001749859,0.00001717633,0.000003383019,0.0000349334,0.0001448405,0.00001533164,0.0004010804],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02201748,"threshold_uncertainty_score":0.04377866,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0141396739329431,"score_gpt":0.2610662744404463,"score_spread":0.2469266005075032,"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."}}