{"id":"W2969719325","doi":"10.1021/acsomega.9b02050","title":"Simulation on the Factors Affecting the Crystallization Process of FeNi Alloy by Molecular Dynamics","year":2019,"lang":"en","type":"article","venue":"ACS Omega","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université du Québec à Trois-Rivières","funders":"National Foundation for Science and Technology Development","keywords":"Crystallization; Molecular dynamics; Alloy; Dynamics (music); Materials science; Process (computing); Metallurgy; Computer science; Chemical engineering; Chemistry; Engineering; 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":[0.0001608671,0.0000739226,0.00006726897,0.00002706569,0.0001140233,0.0000489117,0.0001534044,0.00003181305,0.0001977968],"category_scores_gemma":[0.0001801748,0.00004205936,0.00002927659,0.0002480755,0.00003456086,0.0001987498,0.000005428578,0.0000925159,0.00008996603],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001064446,"about_ca_system_score_gemma":0.00001721055,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001678403,"about_ca_topic_score_gemma":0.0001634667,"domain_scores_codex":[0.9993162,0.00007723287,0.0001418874,0.0001157939,0.0002378513,0.0001110895],"domain_scores_gemma":[0.998713,0.0009060604,0.0001220897,0.0001727691,0.00006481836,0.0000212489],"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":[0.0000137209,0.00001347398,0.2002161,0.000006864384,0.00001369289,1.372752e-7,0.0008784953,0.7886874,0.009606931,0.0001056264,0.00003223628,0.0004253202],"study_design_scores_gemma":[0.0001915391,0.0001703877,0.1502366,0.00003105008,0.00002200594,7.918763e-7,0.004981162,0.7966856,0.04640484,0.0003794469,0.0007284069,0.0001682124],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977338,0.00001475676,0.0004236811,0.0004326765,0.000117723,0.0002708325,0.0000231316,0.00002408777,0.0009593465],"genre_scores_gemma":[0.999657,0.000001198021,0.00001245525,0.0001220898,0.00000586249,5.386473e-7,0.00005965272,0.000004531703,0.000136673],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0499795,"threshold_uncertainty_score":0.2165736,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01023829059500515,"score_gpt":0.2378842874292403,"score_spread":0.2276459968342351,"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."}}