{"id":"W4389584833","doi":"10.2139/ssrn.4660559","title":"Vacancy Formation Free Energy in Concentrated Alloys: Equilibrium vs. Random Sampling","year":2023,"lang":"en","type":"preprint","venue":"SSRN Electronic Journal","topic":"High Temperature Alloys and Creep","field":"Engineering","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Vacancy defect; Sampling (signal processing); Statistical physics; Energy (signal processing); Materials science; Thermodynamics; Mathematics; Statistics; Physics; Condensed matter 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002961685,0.0002833974,0.0008472448,0.001297392,0.0005687664,0.0009331733,0.001954854,0.001076374,0.003605766],"category_scores_gemma":[0.01333011,0.0004867676,0.0005296572,0.0006756922,0.001529688,0.002334662,0.0009460773,0.000718398,0.0002632243],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007839067,"about_ca_system_score_gemma":0.0006363413,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003042717,"about_ca_topic_score_gemma":0.003170755,"domain_scores_codex":[0.9994355,0.0002422286,0.0000223824,0.0001110713,0.0001055754,0.00008328557],"domain_scores_gemma":[0.9908738,0.007715526,0.0003166704,0.0005048699,0.0003598561,0.0002292631],"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":[0.0004808024,0.0001852367,0.006769773,0.0002549534,0.000101538,0.0002618058,0.0001954225,0.6288157,0.00399052,0.335011,0.002583471,0.02134974],"study_design_scores_gemma":[0.00002499065,0.00002657452,0.0009757885,0.00001278781,0.00001075622,0.00004321491,0.00002612602,0.9276801,0.0006967261,0.07025682,0.0002310532,0.00001494285],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6629174,0.001474764,0.327687,0.0007684692,0.0000885109,0.00008141775,0.000286969,0.0002989916,0.006396617],"genre_scores_gemma":[0.9835112,0.0003115865,0.01283863,0.00009839285,0.0000627051,0.00006391203,0.0002461892,0.0001199993,0.002747386],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003605766,"threshold_uncertainty_score":0.01566303,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.011945966636474,"score_gpt":0.2236536853693749,"score_spread":0.2117077187329009,"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."}}