{"id":"W4385361590","doi":"10.1016/j.clay.2023.107077","title":"Mechanical properties and pore network connectivity of sodium montmorillonite as predicted by a coarse-grained molecular model","year":2023,"lang":"en","type":"article","venue":"Applied Clay Science","topic":"Clay minerals and soil interactions","field":"Materials Science","cited_by":8,"is_retracted":false,"has_abstract":false,"ca_institutions":"Nuclear Waste Management Organization; Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada; Mitacs; Alliance de recherche numérique du Canada; Nuclear Waste Management Organization","keywords":"Montmorillonite; Sodium; Chemical engineering; Clay minerals; Geology; Chemistry; Mineralogy; Materials science; Composite material; Organic chemistry","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":[0.00008958318,0.0001594752,0.0001863364,0.000265401,0.0001603767,0.0002332813,0.0004407432,0.000344784,0.001347596],"category_scores_gemma":[0.0003089209,0.0001266368,0.0001652737,0.0002248571,0.000270804,0.000305544,0.0001113869,0.0001805952,0.00008861706],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003884575,"about_ca_system_score_gemma":0.0002856356,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01112201,"about_ca_topic_score_gemma":0.007735956,"domain_scores_codex":[0.9999727,0.000003431662,0.000001341823,0.000006762253,0.000007418274,0.000008433065],"domain_scores_gemma":[0.9998777,0.00005266774,0.00002230892,0.00001391548,0.00001613959,0.00001727439],"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":[0.0002876135,0.0001578456,0.01015341,0.00009257122,0.00004072732,0.0001911147,0.00007402782,0.8753644,0.1013795,0.007661474,0.0003399794,0.004257312],"study_design_scores_gemma":[0.00001216736,0.00004025487,0.004065842,0.000001162998,0.000005321256,0.000007882418,0.00001730294,0.9919036,0.003241243,0.0006238656,0.00007444708,0.000006952376],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979784,0.0000347723,0.001088126,0.00002460675,0.000002518201,0.000003121114,0.00009067313,0.00003047873,0.0007472034],"genre_scores_gemma":[0.9996507,0.00001552271,0.0001790099,0.000002259049,8.217295e-7,0.000001828565,0.00004636839,0.00000213596,0.0001014593],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01112201,"threshold_uncertainty_score":0.02211457,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02213152566256842,"score_gpt":0.2515289630825845,"score_spread":0.2293974374200161,"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."}}