{"id":"W1983873566","doi":"10.1139/cgj-2014-0309","title":"Molecular modeling of initiation of interlayer swelling in Na–montmorillonite expansive clay","year":2015,"lang":"en","type":"article","venue":"Canadian Geotechnical Journal","topic":"Soil and Unsaturated Flow","field":"Engineering","cited_by":51,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"North Dakota State University","keywords":"Montmorillonite; Swelling; Molecular dynamics; Molecule; van der Waals force; Expansive clay; Clay minerals; Chemical physics; Materials science; Hydrogen bond; Solvation shell; Solvation; Chemistry; Chemical engineering; Kaolinite; Ion; Composite material; Soil water; Mineralogy; Computational chemistry; Geology; Organic chemistry; Soil science","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002418163,0.0001015249,0.000200359,0.0003842618,0.00001493967,0.00001410992,0.000151953,0.0001746965,0.000009478872],"category_scores_gemma":[0.00009499342,0.0001040898,0.00006502282,0.0002830503,0.00002186674,0.0001179595,0.000008694561,0.0005241217,0.000002476763],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002532229,"about_ca_system_score_gemma":0.0002396263,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003427569,"about_ca_topic_score_gemma":0.001541804,"domain_scores_codex":[0.9990665,0.00002712199,0.0004211408,0.0000782504,0.0001586324,0.0002483179],"domain_scores_gemma":[0.999272,0.00001672425,0.00005170178,0.0001126952,0.0001925058,0.0003543547],"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":[0.000008835775,0.00000435585,0.0001369728,0.00001109418,0.00001574844,0.00009392107,0.0002585754,0.9936202,0.003872647,0.00006506548,0.00005046357,0.00186219],"study_design_scores_gemma":[0.000367875,0.0000421207,0.0001156694,0.0001797666,0.00001158783,0.00005704383,0.0002334959,0.9923074,0.005724581,0.0007427207,0.00009403275,0.0001236693],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9485344,0.0008950325,0.04936225,0.00007261042,0.0002822699,0.00006457657,0.00000700847,0.00002431298,0.0007575122],"genre_scores_gemma":[0.9993293,0.00005017064,0.0004911399,0.00004999605,0.00005254345,0.000001920702,0.000003316081,0.00001996857,0.000001658294],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05079486,"threshold_uncertainty_score":0.5181482,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0197607838127081,"score_gpt":0.2191112700398501,"score_spread":0.199350486227142,"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."}}