{"id":"W4392357028","doi":"10.1016/j.actamat.2024.119806","title":"Sub-stoichiometry and vacancy structures in V/Nb carbide precipitates by cluster expansion and first-principles calculations","year":2024,"lang":"en","type":"article","venue":"Acta Materialia","topic":"Microstructure and Mechanical Properties of Steels","field":"Engineering","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Materials science; Carbide; Stoichiometry; Vacancy defect; MAX phases; Cluster expansion; Cluster (spacecraft); Embrittlement; Crystallography; Metallurgy; Thermodynamics; Physical chemistry; 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":[0.00006499989,0.0001628271,0.0001677158,0.0001022151,0.00004735787,0.0001775012,0.00006851983,0.0001155154,0.000076291],"category_scores_gemma":[0.00001914782,0.0001331948,0.00001734644,0.00009324792,0.00003012768,0.0002115121,0.00008092001,0.00009960217,0.00000383299],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003107698,"about_ca_system_score_gemma":0.000006347029,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001425595,"about_ca_topic_score_gemma":0.0001311696,"domain_scores_codex":[0.9992897,0.00001604607,0.0002097359,0.0002165971,0.00007164141,0.0001962898],"domain_scores_gemma":[0.9997649,0.00002428895,0.00001185423,0.0001261948,0.000008835789,0.00006394129],"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":[0.00001768964,0.000003212594,0.0002122137,0.000507084,0.0000271994,0.000005376278,0.0005892339,0.0001429035,0.9911352,0.0003702885,0.006041311,0.000948231],"study_design_scores_gemma":[0.001153945,0.0001070149,0.03685132,0.000701946,0.00009723066,0.0000739156,0.0001918529,0.0210138,0.7681557,0.003842,0.1667145,0.001096779],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.994099,0.003826231,0.00003850164,0.0001701193,0.001377621,0.0001681102,0.00008790637,0.0001288896,0.0001036807],"genre_scores_gemma":[0.9988735,0.0005231655,0.0002222788,0.000042803,0.00008504177,0.00001401011,0.00003374472,0.00003555536,0.0001698578],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2229796,"threshold_uncertainty_score":0.5431525,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008333936108412116,"score_gpt":0.2050300166482137,"score_spread":0.1966960805398015,"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."}}