{"id":"W4362706096","doi":"10.1016/j.chemphys.2023.111921","title":"A revisit of the vapor–liquid interface of the Lennard-Jones fluid","year":2023,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"Shared Services Canada","funders":"","keywords":"Chemistry; Equation of state; Triple point; Thermodynamics; Helmholtz free energy; Work (physics); Isobaric process; Heat capacity; Volume (thermodynamics); Supercritical fluid; Gibbs free energy; Lennard-Jones potential; Physics; Molecular dynamics; 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":[0.00004361191,0.00009540828,0.0001586413,0.000006970427,0.00001390546,0.000003236218,0.0003642394,0.00004648027,0.000006239497],"category_scores_gemma":[0.00002785265,0.0000604854,0.0001455251,0.0003384223,0.00009454406,0.00003704721,0.0001653877,0.0001279559,0.00001044622],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002100248,"about_ca_system_score_gemma":0.00001150319,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002045049,"about_ca_topic_score_gemma":1.261085e-7,"domain_scores_codex":[0.9994762,0.0000112986,0.0001665513,0.00008217139,0.0001317208,0.0001320792],"domain_scores_gemma":[0.9994691,0.00004846353,0.00003985457,0.0003966069,0.00002507163,0.00002091097],"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":[0.000008899914,0.00001426501,0.00001776111,0.000115184,0.0000315591,1.110255e-7,0.0001766249,0.003004366,0.9946746,0.0009484062,0.0005808588,0.0004273931],"study_design_scores_gemma":[0.0001067548,0.000007303371,0.00005585374,0.0001014809,0.00001873675,5.101451e-7,0.00001274654,0.02948345,0.9671778,0.002583797,0.0003816486,0.00006993314],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969314,0.00009415321,0.0002507493,0.00007654365,0.0002456047,0.0000657797,0.00002250452,0.00008427286,0.002228935],"genre_scores_gemma":[0.9997662,0.00002012879,0.00001157414,0.00001140523,0.00008906594,0.000003433894,0.000002805052,0.00002417113,0.0000712336],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02749678,"threshold_uncertainty_score":0.2466523,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01076619128352994,"score_gpt":0.2293626666076113,"score_spread":0.2185964753240814,"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."}}