{"id":"W4414239285","doi":"10.1103/tszb-gfxr","title":"High-pressure melting and elastic behavior of vanadium and niobium based on <i>ab initio</i> calculations and machine learning molecular dynamics","year":2025,"lang":"en","type":"article","venue":"Physical review. B./Physical review. B","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Association of Emergency Physicians","funders":"National Safety Academic Fund; National Key Research and Development Program of China; Tohoku University; National Natural Science Foundation of China","keywords":"Niobium; Softening; Vanadium; Molecular dynamics; Crystal structure; Hardening (computing); Melting temperature; Phase transition; Melting point","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0008742128,0.0004337614,0.001290408,0.00008648527,0.0002582528,0.0000965975,0.0003345207,0.00005080358,0.00004606432],"category_scores_gemma":[0.002168463,0.0003570689,0.0001499377,0.0005318793,0.000442525,0.000193877,0.0003412472,0.0004683351,0.00001834943],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004531999,"about_ca_system_score_gemma":0.00009544844,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001529322,"about_ca_topic_score_gemma":0.00001010459,"domain_scores_codex":[0.996861,0.0006997677,0.0006454744,0.000823485,0.0005443089,0.0004260034],"domain_scores_gemma":[0.9978044,0.0008920878,0.0004217821,0.0005137759,0.0001397766,0.0002281531],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00005399734,0.000809621,0.004874888,0.02608449,0.00004985707,0.00002826382,0.00008905034,0.003422597,0.6287727,0.3231789,0.0001573409,0.01247827],"study_design_scores_gemma":[0.001249036,0.000816603,0.01339635,0.02753045,0.002982975,0.00001800226,0.00001030076,0.8894119,0.04217127,0.01784329,0.003174304,0.001395558],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9621894,0.02061951,0.01256438,0.002544965,0.0001735629,0.00129182,0.000132193,0.0001080988,0.0003760431],"genre_scores_gemma":[0.9909016,0.005467065,0.001561223,0.001752454,0.00006550652,0.0001370922,0.00004617626,0.00003496273,0.00003384861],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.8859892,"threshold_uncertainty_score":0.9998881,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008043186297023575,"score_gpt":0.3242326134497805,"score_spread":0.3161894271527569,"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."}}