{"id":"W4408618810","doi":"10.3390/nano15060464","title":"Multiscale Interfacial Structure and Organization of sII Gas Hydrate Interfaces Using Molecular Dynamics","year":2025,"lang":"en","type":"article","venue":"Nanomaterials","topic":"Methane Hydrates and Related Phenomena","field":"Environmental Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Molecular dynamics; Nucleation; Characterization (materials science); Dipole; Context (archaeology); Materials science; Hydrate; Chemical physics; Clathrate hydrate; Layer (electronics); Interface (matter); Nanotechnology; Chemistry; Physics; Computational chemistry; Thermodynamics; Contact angle; Composite material","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":[0.00006463379,0.0001331828,0.00008638837,0.0001977046,0.0001306322,0.0001959402,0.0001446404,0.0001287375,0.0005817018],"category_scores_gemma":[0.0001186051,0.0001048561,0.0001069392,0.0001069319,0.0001877836,0.0002661432,0.0001313361,0.0002233465,0.00003454035],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003007671,"about_ca_system_score_gemma":0.0001405274,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002284462,"about_ca_topic_score_gemma":0.002686621,"domain_scores_codex":[0.9999833,0.000002051329,8.872658e-7,0.00000455432,0.000005512557,0.000003745646],"domain_scores_gemma":[0.9999716,0.00001022351,0.000006400583,0.000003334402,0.000004730182,0.000003629289],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00009813489,0.00007018937,0.006806104,0.00007575361,0.00003227925,0.00009633532,0.0002917618,0.0443107,0.9341434,0.003715868,0.000170355,0.01018902],"study_design_scores_gemma":[0.000009288029,0.00005238924,0.01639818,0.000006951544,0.00001214371,0.00004048798,0.00008888156,0.8565995,0.1251367,0.0009683662,0.000671667,0.00001547259],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9862255,0.0000901954,0.01257227,0.00006527098,0.000003214531,0.000009424363,0.00007783083,0.0001076837,0.0008487232],"genre_scores_gemma":[0.9950753,0.00005473542,0.004652813,0.000004796495,0.000001338942,0.000007037856,0.00004988024,0.000009308255,0.0001448902],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002284462,"threshold_uncertainty_score":0.004542351,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003882135826187429,"score_gpt":0.2187810281886932,"score_spread":0.2148988923625058,"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."}}