{"id":"W1967835363","doi":"10.1063/1.2710263","title":"Molecular dynamics methodology to investigate steady-state heterogeneous crystal growth","year":2007,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":66,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Supercooling; Steady state (chemistry); Crystal (programming language); Crystal growth; Thermodynamics; Growth rate; Molecular dynamics; Materials science; Crystallization; Chemical physics; Chemistry; Physical chemistry; Physics; Computer science; Computational chemistry","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":[0.0007803302,0.00009941053,0.0001711769,0.0000366758,0.00004450732,0.00002228466,0.0002878374,0.00003196472,0.00006181728],"category_scores_gemma":[0.0001889199,0.00006895421,0.00008335967,0.0002400838,0.0001290006,0.0001407968,0.00001935396,0.0002707365,0.00006682213],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002664743,"about_ca_system_score_gemma":0.00004380217,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007567807,"about_ca_topic_score_gemma":0.00004278164,"domain_scores_codex":[0.9989048,0.000144785,0.0003638432,0.00007700965,0.0002726138,0.0002370049],"domain_scores_gemma":[0.9986398,0.0006394599,0.0002100743,0.0001248164,0.0001679079,0.0002179516],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003999731,0.0000386136,0.002965898,0.00000743037,0.00008610053,0.00005228182,0.001358133,0.0622463,0.9211428,0.0001788491,0.000191202,0.01133237],"study_design_scores_gemma":[0.0002125565,0.0001715539,0.001246233,0.00001401648,0.00005284863,0.0002883407,0.0001864652,0.00559667,0.9657074,0.02621289,0.000174174,0.0001369157],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9645346,0.00003731808,0.03401267,0.0008314843,0.0001767603,0.00005613874,0.00001236242,0.00001078939,0.0003279056],"genre_scores_gemma":[0.9929791,0.000003814019,0.006002303,0.0008976276,0.00009421018,5.471819e-8,0.000003120305,0.000006002554,0.00001376244],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05664963,"threshold_uncertainty_score":0.2811871,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03207734996960607,"score_gpt":0.2727636105553664,"score_spread":0.2406862605857603,"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."}}