{"id":"W2581247693","doi":"","title":"Quantum chemical molecular dynamics approach to tribochemical reactions in lubrication processes","year":2013,"lang":"en","type":"article","venue":"Toraibarojisuto/Journal of Japanese Society of Tribologists","topic":"Lubricants and Their Additives","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Hatch (Canada)","funders":"","keywords":"Quantum chemical; Lubrication; Molecular dynamics; Chemical Dynamics; Dynamics (music); Chemical reaction; Chemistry; Quantum; Chemical physics; Nanotechnology; Computational chemistry; Materials science; Physics; Molecule; Thermodynamics; Quantum mechanics; Organic 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003665639,0.0006517876,0.001422376,0.0008647919,0.001449906,0.000926685,0.002154109,0.001530062,0.004062583],"category_scores_gemma":[0.0006466977,0.0005102394,0.0009229875,0.0007729366,0.001649917,0.002316217,0.0009487536,0.001893978,0.0003444469],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001484732,"about_ca_system_score_gemma":0.001251745,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006076514,"about_ca_topic_score_gemma":0.003678329,"domain_scores_codex":[0.999828,0.00005233068,0.000007681977,0.00002041792,0.00006571084,0.00002589514],"domain_scores_gemma":[0.9997857,0.00007678162,0.0000173997,0.00003469874,0.00005478388,0.00003063432],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00004845477,0.0001834981,0.0004421418,0.0001070506,0.00004538519,0.0001303158,0.000103834,0.3312025,0.004336939,0.6560948,0.0008682401,0.006436889],"study_design_scores_gemma":[0.00001876849,0.000009828607,0.00009698268,0.000003416389,0.000006298971,0.000008902046,0.00001141494,0.9667114,0.0002806565,0.03206408,0.0007794123,0.000008843102],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2752603,0.00555909,0.620461,0.005802131,0.001725388,0.0003145148,0.0003419396,0.0003884032,0.09014724],"genre_scores_gemma":[0.9272975,0.002673223,0.05173252,0.0005356781,0.0004510969,0.0003808649,0.0001423627,0.0001856854,0.01660095],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006076514,"threshold_uncertainty_score":0.01359075,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01122263179724899,"score_gpt":0.2304869154974664,"score_spread":0.2192642837002174,"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."}}