{"id":"W4405022207","doi":"10.1021/acs.macromol.4c01503","title":"Bottom-up Multiscale Simulation of Nonlinear Rheology for Entangled Polymer Melts: Using Atactic Polystyrene as An Example","year":2024,"lang":"en","type":"article","venue":"Macromolecules","topic":"Rheology and Fluid Dynamics Studies","field":"Chemical Engineering","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Basic Energy Sciences; Office of Science; York University; Toray Industries; Kanazawa University; University of Chicago; U.S. Department of Energy","keywords":"Polystyrene; Rheology; Polymer; Materials science; Polymer science; Nonlinear system; Polymer chemistry; Chemical engineering; Composite material; Physics; Engineering","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001187803,0.0001902055,0.000295811,0.0001176702,0.00008773396,0.0000173095,0.0001328575,0.0001699571,0.00007216313],"category_scores_gemma":[0.0001004771,0.0001857187,0.0001177668,0.0001510243,0.0001154569,0.0001200012,0.00007643495,0.0001394353,0.00001353223],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004450748,"about_ca_system_score_gemma":0.0000298589,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005343531,"about_ca_topic_score_gemma":0.00004555197,"domain_scores_codex":[0.9988831,0.00003820079,0.0003229347,0.0003513709,0.0001049649,0.0002994813],"domain_scores_gemma":[0.9992262,0.0003691273,0.00005398933,0.0002284743,0.00006249237,0.00005978325],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001400727,0.00008207959,0.0002728055,0.0002009084,0.0002512288,0.0000246825,0.0008450025,0.01138064,0.9571326,0.02835857,0.00000877359,0.001302651],"study_design_scores_gemma":[0.0004199022,0.00008461658,0.00002581646,0.000045964,0.00009498941,0.00001997683,0.00009873736,0.8466526,0.152019,0.000322294,0.00005186943,0.0001642518],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6265916,0.001762428,0.3708624,0.00004583536,0.0003244999,0.0001459832,0.00006413527,0.0001147966,0.00008831233],"genre_scores_gemma":[0.9877019,0.00002466712,0.0105563,0.00004334442,0.0001205274,0.00001954356,0.0001187395,0.00004919713,0.001365778],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.835272,"threshold_uncertainty_score":0.7573389,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02585666517881782,"score_gpt":0.2987959697434445,"score_spread":0.2729393045646267,"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."}}