{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003905358,0.0001362117,0.000275334,0.000009812728,0.00003892609,0.00001411478,0.0003739207,0.00005005294,0.00003633884],"category_scores_gemma":[0.0001321864,0.00008365936,0.0001543563,0.00005600959,0.0001480815,0.000028237,0.00007099166,0.0002457673,0.000004515789],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006346636,"about_ca_system_score_gemma":0.00002688158,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003537737,"about_ca_topic_score_gemma":2.366293e-7,"domain_scores_codex":[0.9990947,0.0001662736,0.0002649011,0.00007635949,0.0002782073,0.0001196017],"domain_scores_gemma":[0.998659,0.0005189811,0.0003882975,0.000254494,0.000132586,0.00004666674],"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":[0.0006072414,0.0001800423,0.00000781673,0.00003276945,0.00008651838,0.0000035469,0.0003238276,0.002204863,0.9956384,0.0002586667,0.000009480113,0.0006467971],"study_design_scores_gemma":[0.0007315066,0.0004467198,0.0000681637,0.0001179538,0.0001530183,0.000008170689,0.00004581746,0.08657901,0.9055083,0.006266654,7.61463e-7,0.00007393213],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9932563,0.000006248929,0.006209675,0.00005362932,0.00005856517,0.00006585609,0.00001683246,0.000006343011,0.000326554],"genre_scores_gemma":[0.9995955,6.224533e-7,0.0001417038,0.00001197169,0.0002092596,2.613792e-7,0.000004944822,0.00001869493,0.00001702297],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.09013014,"threshold_uncertainty_score":0.341153,"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."}}