{"id":"W3045809065","doi":"10.1002/jrs.5954","title":"Raman and infrared spectra to monitor the phase transition of natural kyanite under static compression","year":2020,"lang":"en","type":"article","venue":"Journal of Raman Spectroscopy","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"National Key Research and Development Program of China; China Postdoctoral Science Foundation; National Natural Science Foundation of China","keywords":"Kyanite; Raman spectroscopy; Phase transition; Bulk modulus; Natural bond orbital; Chemistry; Mineralogy; Analytical Chemistry (journal); Crystallography; Geology; Materials science; Condensed matter physics; Density functional theory; Computational chemistry; Composite material; Metamorphic rock; Optics; Geochemistry; Organic chemistry; Physics","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":[0.0001854918,0.0001155362,0.0002842184,0.0000519705,0.00008850067,0.00009704823,0.0001794892,0.00002910367,0.0003242806],"category_scores_gemma":[0.00001615872,0.0000709064,0.00006203262,0.0001352724,0.00005437898,0.0002074633,0.000008664285,0.0001765128,0.00001062192],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000003440596,"about_ca_system_score_gemma":0.00002702384,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006166543,"about_ca_topic_score_gemma":0.00001428046,"domain_scores_codex":[0.9989895,0.00009583545,0.000347647,0.0001079453,0.0002935071,0.0001655293],"domain_scores_gemma":[0.9993634,0.0000840808,0.0002426,0.00008707516,0.00005980866,0.0001630916],"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":[0.001887207,0.0000855723,0.0005979175,0.000101884,0.0001219642,0.00004480702,0.005256498,0.003461072,0.9818259,0.0002132691,0.004429489,0.001974354],"study_design_scores_gemma":[0.009853262,0.01076746,0.1673846,0.0004993526,0.0005324119,0.0001555686,0.004171646,0.01632612,0.768094,0.01393186,0.007418402,0.0008653498],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939154,0.0003613392,0.002258213,0.002745307,0.0003724397,0.0001586416,0.0000650041,0.00000739284,0.0001162246],"genre_scores_gemma":[0.996066,0.00007122054,0.002791054,0.0006071684,0.000438236,2.021749e-7,0.00001033241,0.000004374891,0.00001144348],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2137319,"threshold_uncertainty_score":0.3550645,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01116414116975822,"score_gpt":0.2535957076136146,"score_spread":0.2424315664438564,"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."}}