Matches in SemOpenAlex for { <https://semopenalex.org/work/W4383313144> ?p ?o ?g. }
- W4383313144 endingPage "5489" @default.
- W4383313144 startingPage "5482" @default.
- W4383313144 abstract "Adding nanofillers in polymer matrices results in a slowing down of the polymer dynamics for attractive polymer/nanofiller interactions. In this work, we perform atomistic molecular dynamics simulations in poly(ethylene oxide)/silica model nanocomposites to investigate the spatial heterogeneous glass transition behavior of the polymer chains. To address this, we compute both the “thermodynamic” and the “dynamic” glass transition temperature of polymer chains, as a function of the silica loading. The “dynamic” glass transition within specific domains is estimated via a novel method, based on the translational dynamics of the polymer monomers. A clear increase of the glass transition temperature of polymer chains with nanoparticle loading is found. In addition, a spatial gradient in the glass transition behavior is identified, in agreement with experimental studies in polymer nanocomposites with attractive polymer/nanofiller interactions. The local dynamical heterogeneities of polymer chains in the nanocomposites are further examined via a geometric analysis, by probing the evolution of the “slow” polymer regions, as temperature decreases. The “onset” of the glassy state, defined by the percolation of the slow regions, is found in qualitative agreement with the thermodynamic and dynamic approaches." @default.
- W4383313144 created "2023-07-07" @default.
- W4383313144 creator A5005609936 @default.
- W4383313144 creator A5020733011 @default.
- W4383313144 creator A5028456729 @default.
- W4383313144 creator A5057339875 @default.
- W4383313144 date "2023-07-06" @default.
- W4383313144 modified "2023-09-27" @default.
- W4383313144 title "Heterogeneous Glass Transition Behavior of Poly(Ethylene oxide)/Silica Nanocomposites via Atomistic MD Simulations" @default.
- W4383313144 cites W1963571180 @default.
- W4383313144 cites W1964949988 @default.
- W4383313144 cites W1966078827 @default.
- W4383313144 cites W1966444420 @default.
- W4383313144 cites W1968129069 @default.
- W4383313144 cites W1982246384 @default.
- W4383313144 cites W1987023965 @default.
- W4383313144 cites W1991335473 @default.
- W4383313144 cites W1995566970 @default.
- W4383313144 cites W2002286530 @default.
- W4383313144 cites W2020386868 @default.
- W4383313144 cites W2022918643 @default.
- W4383313144 cites W2038502132 @default.
- W4383313144 cites W2041947058 @default.
- W4383313144 cites W2054628890 @default.
- W4383313144 cites W2057354363 @default.
- W4383313144 cites W2071940205 @default.
- W4383313144 cites W2075792868 @default.
- W4383313144 cites W2082071368 @default.
- W4383313144 cites W2088551312 @default.
- W4383313144 cites W2125892558 @default.
- W4383313144 cites W2148764816 @default.
- W4383313144 cites W2167392691 @default.
- W4383313144 cites W2284475944 @default.
- W4383313144 cites W2318474134 @default.
- W4383313144 cites W2325660633 @default.
- W4383313144 cites W2338327414 @default.
- W4383313144 cites W2583158444 @default.
- W4383313144 cites W2743698971 @default.
- W4383313144 cites W2904083236 @default.
- W4383313144 cites W2970998310 @default.
- W4383313144 cites W2971387975 @default.
- W4383313144 cites W2974069505 @default.
- W4383313144 cites W2976988152 @default.
- W4383313144 cites W2997921545 @default.
- W4383313144 cites W3016917064 @default.
- W4383313144 cites W3032923864 @default.
- W4383313144 cites W3046392569 @default.
- W4383313144 cites W3088103332 @default.
- W4383313144 cites W3096515184 @default.
- W4383313144 cites W3101677096 @default.
- W4383313144 cites W3101712865 @default.
- W4383313144 cites W3159111814 @default.
- W4383313144 cites W3194335406 @default.
- W4383313144 cites W3209508814 @default.
- W4383313144 cites W4224102532 @default.
- W4383313144 cites W4293243970 @default.
- W4383313144 cites W4296681146 @default.
- W4383313144 doi "https://doi.org/10.1021/acs.macromol.3c00593" @default.
- W4383313144 hasPublicationYear "2023" @default.
- W4383313144 type Work @default.
- W4383313144 citedByCount "0" @default.
- W4383313144 crossrefType "journal-article" @default.
- W4383313144 hasAuthorship W4383313144A5005609936 @default.
- W4383313144 hasAuthorship W4383313144A5020733011 @default.
- W4383313144 hasAuthorship W4383313144A5028456729 @default.
- W4383313144 hasAuthorship W4383313144A5057339875 @default.
- W4383313144 hasConcept C122865956 @default.
- W4383313144 hasConcept C127413603 @default.
- W4383313144 hasConcept C147597530 @default.
- W4383313144 hasConcept C155672457 @default.
- W4383313144 hasConcept C15920480 @default.
- W4383313144 hasConcept C159467904 @default.
- W4383313144 hasConcept C159985019 @default.
- W4383313144 hasConcept C166940927 @default.
- W4383313144 hasConcept C169760540 @default.
- W4383313144 hasConcept C171250308 @default.
- W4383313144 hasConcept C185592680 @default.
- W4383313144 hasConcept C188027245 @default.
- W4383313144 hasConcept C191897082 @default.
- W4383313144 hasConcept C192562407 @default.
- W4383313144 hasConcept C2777801237 @default.
- W4383313144 hasConcept C2779851234 @default.
- W4383313144 hasConcept C2780457167 @default.
- W4383313144 hasConcept C3231350 @default.
- W4383313144 hasConcept C42360764 @default.
- W4383313144 hasConcept C521977710 @default.
- W4383313144 hasConcept C59593255 @default.
- W4383313144 hasConcept C86803240 @default.
- W4383313144 hasConcept C92880739 @default.
- W4383313144 hasConceptScore W4383313144C122865956 @default.
- W4383313144 hasConceptScore W4383313144C127413603 @default.
- W4383313144 hasConceptScore W4383313144C147597530 @default.
- W4383313144 hasConceptScore W4383313144C155672457 @default.
- W4383313144 hasConceptScore W4383313144C15920480 @default.
- W4383313144 hasConceptScore W4383313144C159467904 @default.
- W4383313144 hasConceptScore W4383313144C159985019 @default.
- W4383313144 hasConceptScore W4383313144C166940927 @default.
- W4383313144 hasConceptScore W4383313144C169760540 @default.