{"id":"W3095160892","doi":"10.3390/ma13214949","title":"Molecular Dynamics Studies of Hydrogen Effect on Intergranular Fracture in α-Iron","year":2020,"lang":"en","type":"article","venue":"Materials","topic":"Hydrogen embrittlement and corrosion behaviors in metals","field":"Materials Science","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Fundamental Research Funds for the Central Universities; PetroChina Innovation Foundation; Natural Science Foundation of Shandong Province; China Postdoctoral Science Foundation; National Natural Science Foundation of China","keywords":"Intergranular corrosion; Materials science; Hydrogen; Grain boundary; Hydrogen embrittlement; Intergranular fracture; Slip (aerodynamics); Embrittlement; Molecular dynamics; Cracking; Metallurgy; Composite material; Thermodynamics; Microstructure; Chemistry; Computational chemistry; Corrosion; 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":[0.0001675179,0.0003750281,0.0005789773,0.0003623319,0.0009431577,0.0003972737,0.0007874104,0.0007816297,0.001989624],"category_scores_gemma":[0.0005362321,0.0002741625,0.0004791686,0.0003148804,0.0006180825,0.0005662744,0.0003253716,0.0006724602,0.000117695],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001073979,"about_ca_system_score_gemma":0.001038416,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01405671,"about_ca_topic_score_gemma":0.01113782,"domain_scores_codex":[0.9999315,0.000009996847,0.000002487216,0.00001129945,0.00001756252,0.00002716085],"domain_scores_gemma":[0.9997782,0.00008552989,0.0000324011,0.00001783612,0.00004010445,0.00004599327],"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":[0.0001892631,0.0002182528,0.006745931,0.00008952038,0.00007429771,0.0004356873,0.0001538385,0.9622106,0.01871835,0.007219704,0.0004828344,0.00346174],"study_design_scores_gemma":[0.00003220098,0.00006654894,0.00132879,0.000004774217,0.000009269735,0.00001583946,0.00003655958,0.9962409,0.001559524,0.0004412445,0.0002562534,0.000008168265],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9928648,0.0001391215,0.003272076,0.0002090874,0.00001822746,0.00002337776,0.000163187,0.00005995348,0.003250073],"genre_scores_gemma":[0.9971099,0.0001209054,0.002075435,0.00003275025,0.000004532053,0.00002963409,0.000152597,0.00001527495,0.0004589544],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01405671,"threshold_uncertainty_score":0.02794981,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01638082780827064,"score_gpt":0.2887590223082517,"score_spread":0.2723781944999811,"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."}}