{"id":"W2313988222","doi":"10.1021/jp206135k","title":"Tribochemistry of Aldehydes Sheared between (0001) Surfaces of α-Alumina from First-Principles Molecular Dynamics","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Force Microscopy Techniques and Applications","field":"Physics and Astronomy","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Ontario Ministry of Research and Innovation","keywords":"Slip (aerodynamics); Dissociation (chemistry); Lubrication; Molecular dynamics; Tribology; Materials science; Molecule; Boundary lubrication; Coefficient of friction; ReaxFF; Chemical physics; Composite material; Chemistry; Computational chemistry; Physical chemistry; Thermodynamics; Organic chemistry; Interatomic potential","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001202495,0.0001445441,0.0003685299,0.00000917988,0.00004435414,0.000006340178,0.0005298127,0.00004554174,0.0001498327],"category_scores_gemma":[0.000009029397,0.0001071925,0.0002439968,0.0001062838,0.0002258673,0.00004586399,0.00008862558,0.0002351876,0.000001015475],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002798419,"about_ca_system_score_gemma":0.00006614332,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000251279,"about_ca_topic_score_gemma":4.366705e-7,"domain_scores_codex":[0.9991338,0.00001715662,0.0004307952,0.00009605941,0.0001862778,0.0001358835],"domain_scores_gemma":[0.9986946,0.0001272894,0.0006313958,0.0003271251,0.0001518392,0.00006774824],"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":[0.00003610529,0.0002557183,0.003427346,0.00005449223,0.0001627377,4.296354e-7,0.0005373666,0.0001635337,0.9945459,0.0005024513,0.00004922064,0.0002647003],"study_design_scores_gemma":[0.0002052144,0.00004652528,0.0007603379,0.00009690774,0.0001725964,7.091093e-7,0.0004186004,0.0008219043,0.9918202,0.005484213,0.00007476609,0.00009798871],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9936042,0.00005371944,0.002684943,0.0000506976,0.000005164224,0.00005689245,0.0002729094,0.00000664655,0.003264853],"genre_scores_gemma":[0.9981899,0.000004896586,0.001549602,0.000001951588,0.0001347193,0.00000235166,0.00003231242,0.00001494251,0.00006928442],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004981761,"threshold_uncertainty_score":0.4371185,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01608762094254123,"score_gpt":0.2492394909491865,"score_spread":0.2331518700066453,"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."}}