{"id":"W1991454240","doi":"10.1063/1.4756037","title":"On the determination of the glass forming ability of AlxZr1−x alloys using molecular dynamics, Monte Carlo simulations, and classical thermodynamics","year":2012,"lang":"en","type":"article","venue":"Journal of Applied Physics","topic":"Metallic Glasses and Amorphous Alloys","field":"Engineering","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"Polytechnique Montréal","funders":"","keywords":"Thermodynamics; Amorphous metal; Amorphous solid; Molecular dynamics; Monte Carlo method; Gibbs free energy; Materials science; Statistical physics; Chemistry; Crystallography; Physics; Computational chemistry","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":[0.0002797391,0.0001200414,0.0002321724,0.00002348602,0.00004948434,0.00001130561,0.0001523625,0.00005475634,0.000002121692],"category_scores_gemma":[0.00002130434,0.00007383278,0.0001248987,0.0001112959,0.00007397516,0.00009614522,0.00003831712,0.0002228456,1.021639e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001052109,"about_ca_system_score_gemma":0.00002658467,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003997754,"about_ca_topic_score_gemma":0.000004635411,"domain_scores_codex":[0.9991283,0.00002773722,0.0003750506,0.00005552959,0.0002731469,0.0001402067],"domain_scores_gemma":[0.9991697,0.0001973602,0.0003147219,0.0001989608,0.00007927058,0.00003997947],"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":[0.00002350273,0.00009643612,0.0005421503,0.00008073037,0.00009441769,3.594157e-7,0.0005640548,0.7310216,0.2293702,0.0328663,0.000003016183,0.005337319],"study_design_scores_gemma":[0.0001886283,0.00002007919,0.001766984,0.00003814243,0.00008432368,0.000003472969,0.0001040943,0.9815835,0.01153652,0.004573428,0.00002532304,0.00007550388],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9709232,0.00004714678,0.0284163,0.00001879985,0.000121869,0.0001386987,0.00001250515,0.000004802559,0.0003166416],"genre_scores_gemma":[0.9983752,0.000009050417,0.001505967,0.00001750454,0.00006813557,9.659331e-7,5.671045e-7,0.00002118886,0.000001386947],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.250562,"threshold_uncertainty_score":0.3010813,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01138630746764762,"score_gpt":0.2218674722552276,"score_spread":0.21048116478758,"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."}}