{"id":"W2791773856","doi":"10.1016/j.corsci.2018.02.056","title":"Atomistic simulations of corrosion related species in nano-cracks","year":2018,"lang":"en","type":"article","venue":"Corrosion Science","topic":"Subcritical and Supercritical Water Processes","field":"Engineering","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"Trent University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Corrosion; Molecular dynamics; Supercritical fluid; Aqueous solution; Diffusion; Chemical physics; Ionic bonding; Materials science; Layer (electronics); Chloride; Ion; Chemistry; Inorganic chemistry; Chemical engineering; Computational chemistry; Thermodynamics; Metallurgy; Physical chemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002159795,0.00009055057,0.0001392919,0.0001677496,0.0001154471,0.00003626398,0.0002591487,0.00005214886,0.0002830507],"category_scores_gemma":[0.000820577,0.00007642993,0.00002172611,0.001157863,0.0009431469,0.0002922094,0.00006997961,0.00009335975,0.0000935566],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004483407,"about_ca_system_score_gemma":0.00004082044,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003860302,"about_ca_topic_score_gemma":0.00001299207,"domain_scores_codex":[0.9989046,0.00001162112,0.0003221291,0.0002041585,0.0002930539,0.0002644736],"domain_scores_gemma":[0.9993085,0.0001714727,0.000008847952,0.0001829619,0.000223916,0.000104277],"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":[0.000005004151,0.0000283285,0.002357993,0.00003114543,1.226653e-7,0.00000195337,0.0004100829,0.0008558327,0.992938,0.003037917,0.0000388511,0.0002948155],"study_design_scores_gemma":[0.0002325552,0.00007251861,0.006674546,0.0001581049,0.000004606261,0.000005506573,0.0001562823,0.1822663,0.8035686,0.006401053,0.0002825797,0.0001772936],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9856516,0.00004850404,0.007748629,0.00004650041,0.0006728113,0.00008297832,0.000008291984,0.00009272603,0.005648025],"genre_scores_gemma":[0.999346,0.000009992509,0.0004170723,0.00003208675,0.00002302018,0.000002595823,0.000001822818,0.000008208268,0.0001591687],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1893693,"threshold_uncertainty_score":0.3475064,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01774935066116679,"score_gpt":0.2607329717067959,"score_spread":0.2429836210456291,"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."}}