{"id":"W2971751072","doi":"10.1016/j.commatsci.2019.109234","title":"Discrepancies in the mechanical properties of gold nanowires: The importance of potential type and equilibration method","year":2019,"lang":"en","type":"article","venue":"Computational Materials Science","topic":"Metal and Thin Film Mechanics","field":"Engineering","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"Memorial University of Newfoundland","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Nanowire; Elastic modulus; Materials science; Interatomic potential; Molecular dynamics; Softening; Range (aeronautics); Thermostat; Modulus; Atmospheric temperature range; Thermodynamics; Composite material; Nanotechnology; Computational chemistry; Chemistry; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002372687,0.0004505881,0.0006136716,0.000798572,0.0007541925,0.001081922,0.001762897,0.001261214,0.002781877],"category_scores_gemma":[0.01333573,0.0004582839,0.0004029472,0.000573248,0.0008848757,0.001905284,0.000896563,0.001488477,0.0002356251],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006197728,"about_ca_system_score_gemma":0.0005828625,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001652445,"about_ca_topic_score_gemma":0.001919783,"domain_scores_codex":[0.9994724,0.0002397699,0.00002954871,0.00007860637,0.0001270979,0.00005254076],"domain_scores_gemma":[0.9960654,0.00270382,0.0001847872,0.0006574112,0.0002690787,0.0001195245],"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":[0.0005334489,0.0002976024,0.008138316,0.0003625903,0.0001357168,0.0006095465,0.0004056375,0.5267698,0.02305892,0.4137838,0.003944973,0.02195966],"study_design_scores_gemma":[0.00004747669,0.00002756212,0.00220909,0.00002337733,0.00001436625,0.00004036706,0.00004848891,0.9481202,0.00467163,0.0441805,0.0005902513,0.00002678507],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8594892,0.001211075,0.1065263,0.002480538,0.0004785552,0.00008542852,0.0004626371,0.0005708212,0.02869541],"genre_scores_gemma":[0.9913578,0.0001582836,0.006556828,0.00011974,0.00004635707,0.00004876784,0.0001576166,0.0002237041,0.001330932],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002781877,"threshold_uncertainty_score":0.01254809,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01958624456705419,"score_gpt":0.2399570882489544,"score_spread":0.2203708436819002,"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."}}