{"id":"W2737326513","doi":"10.1007/s10853-017-1330-0","title":"A molecular dynamic simulation method to elucidate the interaction mechanism of nano-SiO2 in polymer blends","year":2017,"lang":"en","type":"article","venue":"Journal of Materials Science","topic":"Polymer Nanocomposites and Properties","field":"Materials Science","cited_by":101,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Saskatchewan","funders":"Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China","keywords":"Materials science; Polymer; Crystallinity; Adsorption; Polyvinyl alcohol; Molecular dynamics; Vinyl alcohol; Hydrogen bond; Nano-; Chemical engineering; Polymer chemistry; Chemical physics; Composite material; Molecule; Physical chemistry; Computational chemistry; Organic chemistry; Chemistry","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":[0.003888933,0.0001189273,0.0002970028,0.0002453944,0.0002961644,0.0004469217,0.001248261,0.00003767855,0.0001171573],"category_scores_gemma":[0.0002326112,0.00007238997,0.00005374739,0.000159545,0.000190227,0.001031749,0.0002829271,0.00006905413,0.00001565341],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006984598,"about_ca_system_score_gemma":0.0001646576,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003013326,"about_ca_topic_score_gemma":0.000009908817,"domain_scores_codex":[0.9981596,0.0002113584,0.0006279513,0.000191339,0.0005493163,0.000260435],"domain_scores_gemma":[0.9982542,0.00007456011,0.0009612693,0.0004225009,0.0002081148,0.00007939911],"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":[0.0001668425,0.00002112282,0.00000864811,0.00001098874,0.000002842898,0.000006544239,0.0004003116,0.002799595,0.9945653,0.0006610021,0.000001811841,0.001354978],"study_design_scores_gemma":[0.0002044485,0.000174335,0.0004554004,0.0001465083,0.00001407784,0.00004452054,0.0000754208,0.001976586,0.9960462,0.0007289998,0.00004401664,0.00008951252],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.987978,0.0001204981,0.009462691,0.0007310138,0.001484276,0.0001252143,0.000008987016,0.00000477857,0.00008456682],"genre_scores_gemma":[0.9965024,0.000008617204,0.003282907,0.0001160474,0.00004867643,0.000003252518,1.430617e-7,0.000008575262,0.00002936986],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008524437,"threshold_uncertainty_score":0.4309676,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01911153634696444,"score_gpt":0.3340966608336007,"score_spread":0.3149851244866363,"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."}}