{"id":"W2776125858","doi":"10.1021/acs.macromol.7b01640","title":"Scale-Dependent Miscibility of Polylactide and Polyhydroxybutyrate: Molecular Dynamics Simulations","year":2017,"lang":"en","type":"article","venue":"Macromolecules","topic":"biodegradable polymer synthesis and properties","field":"Materials Science","cited_by":72,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Russian Academy of Sciences; Lomonosov Moscow State University; Ministry of Education and Science of the Russian Federation","keywords":"Miscibility; Polyhydroxybutyrate; Molecular dynamics; Glass transition; Materials science; Microsecond; Thermodynamics; Spinodal decomposition; Scale (ratio); Polymer; Polymer chemistry; Chemical engineering; Chemical physics; Chemistry; Phase (matter); Computational chemistry; Organic chemistry; Composite material; Physics","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":[0.0002336214,0.000449659,0.0006310495,0.0003965792,0.0004977799,0.0004739065,0.0008001961,0.0007890222,0.001393767],"category_scores_gemma":[0.0007742255,0.0003373657,0.0004831391,0.0004380385,0.0004902376,0.0005172392,0.0003654146,0.0007827451,0.00010685],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001015714,"about_ca_system_score_gemma":0.001144749,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01231601,"about_ca_topic_score_gemma":0.00663767,"domain_scores_codex":[0.9999036,0.00001723277,0.00000522043,0.00001580129,0.00002636122,0.00003179042],"domain_scores_gemma":[0.9997154,0.0001361463,0.00003216629,0.00002200798,0.00004518105,0.00004910998],"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":[0.0003042089,0.0002648822,0.004411313,0.0001070149,0.0000845654,0.0002046427,0.0001693224,0.9651017,0.02177106,0.004326902,0.0002469767,0.003007464],"study_design_scores_gemma":[0.00002409814,0.00004662622,0.0007703341,0.000004599649,0.00001046493,0.000009928773,0.00001838658,0.9961405,0.002505078,0.0002288949,0.0002338599,0.000007180286],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9914922,0.0001688497,0.005528915,0.0001287688,0.00001604527,0.0000406582,0.0002748142,0.00006859656,0.002281194],"genre_scores_gemma":[0.9933876,0.0001905187,0.00530459,0.00003047764,0.000006001379,0.0001095178,0.0002876848,0.00002644362,0.0006570976],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01231601,"threshold_uncertainty_score":0.02448869,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01462155333720735,"score_gpt":0.2480325995342842,"score_spread":0.2334110461970769,"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."}}