{"id":"W2741353833","doi":"10.1063/1.4996206","title":"Strain-driven diffusion process during silicon oxidation investigated by coupling density functional theory and activation relaxation technique","year":2017,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Semiconductor materials and devices","field":"Engineering","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Silicon; Chemical physics; Diffusion; Density functional theory; Activation energy; Relaxation (psychology); Substrate (aquarium); Oxygen; Diffusion barrier; Strain (injury); Materials science; Coupling (piping); Layer (electronics); Chemistry; Nanotechnology; Physical chemistry; Computational chemistry; Thermodynamics; Optoelectronics; Composite material; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002620621,0.00008638825,0.0001141367,0.00001373208,0.0001315783,0.00005628756,0.000107179,0.0000629135,0.000004251696],"category_scores_gemma":[0.0001101938,0.00006326623,0.00002035865,0.00002615697,0.00006774822,0.0004468546,0.00002262902,0.0001756555,4.436545e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003983386,"about_ca_system_score_gemma":0.00001123232,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002244164,"about_ca_topic_score_gemma":9.150661e-8,"domain_scores_codex":[0.9995283,0.00001806576,0.000181778,0.00005429214,0.0001442218,0.00007331818],"domain_scores_gemma":[0.9994052,0.00007315959,0.0002846668,0.0001042339,0.00009546922,0.00003728949],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00006560649,0.00001043845,0.0003023295,0.00005353332,0.00001637458,1.413418e-7,0.0001562707,0.0009582987,0.9982118,0.00007426518,0.0000221855,0.0001287395],"study_design_scores_gemma":[0.0002259057,0.000009214808,0.004708813,0.00009739863,0.00002473649,0.00001031542,0.00004442193,0.00237894,0.9829489,0.009478142,0.000001370485,0.00007183473],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996233,0.00002522084,0.003502115,0.0000395262,0.00007439533,0.00007794501,0.000002451719,0.00002790995,0.00001738935],"genre_scores_gemma":[0.9996691,0.00002395213,0.00004577517,0.00001261651,0.0002225022,0.000001860088,0.000009486642,0.00001285962,0.000001822967],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01526291,"threshold_uncertainty_score":0.2579922,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01259739202167698,"score_gpt":0.2250237087915741,"score_spread":0.2124263167698971,"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."}}