{"id":"W2927635446","doi":"10.5539/jmsr.v8n2p10","title":"Molecular Dynamics Study the Factors Effecting the Structure of MgSiO3 Bulk","year":2019,"lang":"en","type":"article","venue":"Journal of Materials Science Research","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Molecular dynamics; Materials science; Radial distribution function; Distribution (mathematics); Periodic boundary conditions; Coordination number; Thermodynamics; Distribution function; Computational chemistry; Boundary value problem; Physics; Chemistry; Quantum mechanics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007956041,0.0002496287,0.0002460744,0.0001268315,0.0002834036,0.0002028958,0.0003491178,0.0001890275,0.001057246],"category_scores_gemma":[0.0003478036,0.0001489146,0.0002991092,0.0001512835,0.000221523,0.0004072001,0.0001752086,0.0003291653,0.0000944882],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003196735,"about_ca_system_score_gemma":0.0003341327,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0047585,"about_ca_topic_score_gemma":0.00325243,"domain_scores_codex":[0.9999614,0.000004096729,0.000001310788,0.00001125213,0.00001132304,0.00001060424],"domain_scores_gemma":[0.9999242,0.0000291316,0.00001463458,0.000005292514,0.00001663269,0.000009995993],"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":[0.0006091868,0.0002186122,0.02140119,0.0005776186,0.0001992117,0.0007653009,0.000480152,0.642648,0.3030496,0.01119625,0.00156274,0.01729216],"study_design_scores_gemma":[0.00004953257,0.0001688048,0.00621472,0.00001775799,0.0000443358,0.00006968683,0.00008036909,0.9617711,0.02891553,0.001046567,0.001600355,0.00002119151],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9926629,0.0005216888,0.004157981,0.0001266627,0.00002002725,0.000009698799,0.0001775086,0.0000677096,0.002255871],"genre_scores_gemma":[0.9967895,0.0002946744,0.002227044,0.00002182066,0.000005340547,0.00001719198,0.0002010072,0.00002372593,0.0004195801],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0047585,"threshold_uncertainty_score":0.009461641,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02338729558318219,"score_gpt":0.3139770607818186,"score_spread":0.2905897651986364,"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."}}