{"id":"W2887288328","doi":"10.1021/acs.jpcc.8b06394","title":"Effect of Surface Interatomic Potential on Thermal Accommodation Coefficients Derived from Molecular Dynamics","year":2018,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Gas Dynamics and Kinetic Theory","field":"Mathematics","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Molecular dynamics; Interatomic potential; Thermal; Context (archaeology); Surface (topology); Materials science; Statistical physics; Range (aeronautics); Thermodynamics; Chemical physics; Physics; Chemistry; Computational chemistry; Mathematics; Geometry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0007683969,0.0005276386,0.0004179099,0.0005978779,0.000381499,0.0006249162,0.0005394321,0.0004132158,0.0007644825],"category_scores_gemma":[0.003437264,0.000219258,0.0004070367,0.0004714869,0.0005535735,0.0007596285,0.0006368992,0.0006731651,0.0001258573],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004977951,"about_ca_system_score_gemma":0.0004513313,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001814291,"about_ca_topic_score_gemma":0.001228679,"domain_scores_codex":[0.9996562,0.0001102814,0.00001815522,0.00002993502,0.0001313613,0.00005412318],"domain_scores_gemma":[0.998909,0.0007039689,0.00008459312,0.0001114586,0.0001495859,0.00004146698],"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":[0.0001309878,0.00003928599,0.003339503,0.0001912377,0.00003600879,0.0002282144,0.0001337741,0.944288,0.0240993,0.01348106,0.0001989614,0.0138336],"study_design_scores_gemma":[0.0000062472,0.00004477035,0.001374228,0.00002873712,0.00001197419,0.0000369115,0.00004395079,0.9875415,0.008027058,0.002329469,0.0005355875,0.00001967454],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9060723,0.001845367,0.07736737,0.0002687229,0.00009347725,0.00006100672,0.0001448261,0.0001781905,0.01396882],"genre_scores_gemma":[0.9961362,0.0003634912,0.003103854,0.00001275272,0.000004957871,0.00001925314,0.0000738571,0.00004493818,0.0002405917],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001814291,"threshold_uncertainty_score":0.004063725,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004874949729882084,"score_gpt":0.2631645021936075,"score_spread":0.2582895524637255,"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."}}