{"id":"W2075811679","doi":"10.1103/physrevlett.95.060202","title":"Finite-Temperature Quasicontinuum: Molecular Dynamics without All the Atoms","year":2005,"lang":"en","type":"article","venue":"Physical Review Letters","topic":"Microstructure and mechanical properties","field":"Materials Science","cited_by":195,"is_retracted":false,"has_abstract":true,"ca_institutions":"Carleton University","funders":"","keywords":"Molecular dynamics; Materials science; Interpolation (computer graphics); Nucleation; Work (physics); Finite element method; Indentation; Crystal (programming language); Constant (computer programming); Dynamics (music); Stress (linguistics); Function (biology); Thermodynamics; Classical mechanics; Physics; Composite material","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":[0.000245621,0.0002244658,0.0003821409,0.00001021963,0.00008778589,0.00008656413,0.0004851154,0.00002033998,0.0001427925],"category_scores_gemma":[0.00009302745,0.0001208494,0.0001967139,0.0001051811,0.0001196513,0.0001433158,0.0001054765,0.000275948,0.0005674658],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000581311,"about_ca_system_score_gemma":0.0000219141,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000109755,"about_ca_topic_score_gemma":0.000009737238,"domain_scores_codex":[0.9986261,0.000162906,0.0002503138,0.0003304779,0.0002853967,0.0003448509],"domain_scores_gemma":[0.9991987,0.00007949502,0.00009928743,0.0004960488,0.00003732901,0.00008911515],"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":[0.000007208603,0.00002796259,0.000003025752,0.0001643584,0.00001123402,0.000003930766,0.0001317575,0.00004850814,0.9904282,0.002051187,0.005069829,0.00205276],"study_design_scores_gemma":[0.0005197359,0.0001056809,0.00004141124,0.001409365,0.0003780175,0.00003036172,0.00002429826,0.004702307,0.6201608,0.001447593,0.3702669,0.0009135785],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9365126,0.009889204,0.0005762298,0.05204621,0.000185211,0.0004819566,0.00001602543,0.0000826285,0.0002099201],"genre_scores_gemma":[0.8641086,0.0006275178,0.0003311129,0.1344669,0.0003195241,0.00003515483,0.00001325319,0.00002367141,0.00007430997],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3702675,"threshold_uncertainty_score":0.7293814,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01015571556944939,"score_gpt":0.2621050354162791,"score_spread":0.2519493198468297,"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."}}