{"id":"W1996966801","doi":"10.1103/physrevb.72.054124","title":"Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates","year":2005,"lang":"en","type":"article","venue":"Physical Review B","topic":"Force Microscopy Techniques and Applications","field":"Physics and Astronomy","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Hysteresis; Dissipation; Dumbbell; Physics; Materials science; Molecular dynamics; Approx; Condensed matter physics; Thermodynamics; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002518808,0.0003365255,0.0004338924,0.0002136434,0.0006123115,0.0005296703,0.0007811375,0.0006053402,0.001673051],"category_scores_gemma":[0.0004657795,0.0003420718,0.0003561058,0.0002392923,0.0009968503,0.0007859291,0.0004315655,0.0008888206,0.0001040545],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007581023,"about_ca_system_score_gemma":0.0006969098,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003585684,"about_ca_topic_score_gemma":0.002304615,"domain_scores_codex":[0.9999148,0.0000107324,0.000002403875,0.00001451182,0.00003243403,0.00002522763],"domain_scores_gemma":[0.9998522,0.0000706264,0.00001944404,0.00001774128,0.00002047998,0.00001952386],"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":[0.0003884495,0.0005969419,0.004416719,0.0004282797,0.0001050807,0.0009211385,0.0008198516,0.733976,0.2131137,0.02831377,0.001052561,0.01586755],"study_design_scores_gemma":[0.00003671607,0.0001197628,0.00119159,0.000007511519,0.000008828057,0.00003073089,0.00005270652,0.9857662,0.01107911,0.001359517,0.0003300037,0.00001725995],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9884775,0.0001799191,0.008391111,0.0002036123,0.00001454751,0.00002755961,0.00007770584,0.00007750276,0.002550568],"genre_scores_gemma":[0.9969285,0.0002106307,0.002160902,0.0000326357,0.000004187006,0.00003843406,0.00007652401,0.00002201889,0.0005261164],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003585684,"threshold_uncertainty_score":0.007129669,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00747502725028474,"score_gpt":0.2796303981029365,"score_spread":0.2721553708526517,"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."}}