Matches in SemOpenAlex for { <https://semopenalex.org/work/W1985583806> ?p ?o ?g. }
- W1985583806 endingPage "584" @default.
- W1985583806 startingPage "572" @default.
- W1985583806 abstract "Silica nanoparticles (NPs) embedded in atactic polystyrene (PS) are simulated using coarse-grained (CG) potentials obtained via iterative Boltzmann inversion (IBI). The potentials are parametrized and validated on polystyrene of 2 kDa (i.e., chains containing 20 monomers). It is shown that the CG potentials are transferable between different systems. The structure of the polymer chains is strongly influenced by the NP. Layering, chain expansion, and preferential orientation of segments as well as of entire chains are found. The extent of the structural perturbation depends on the details of the system: bare NPs vs NPs grafted with PS chains, grafting density (0, 0.5, and 1 chains/nm2), length of the grafted chains (2 and 8 kDa), and the matrix chains (2–20 kDa). For example, there is a change in the swelling state for the grafted corona (8 kDa, 1 chains/nm2), when the matrix polymer is changed from 2 to > 8 kDa. This phenomenon, sometimes called “wet brush to dry brush transition”, is in good agreement with neutron scattering investigations. Another example is the behavior of the radius of gyration of free polymer chains close to the NP. Short chains expand compared to the bulk, whereas chains whose unperturbed radius of gyration is larger than that of the NP contract." @default.
- W1985583806 created "2016-06-24" @default.
- W1985583806 creator A5031860925 @default.
- W1985583806 creator A5050188748 @default.
- W1985583806 creator A5050373267 @default.
- W1985583806 creator A5062856936 @default.
- W1985583806 creator A5078510674 @default.
- W1985583806 creator A5083744012 @default.
- W1985583806 date "2011-12-06" @default.
- W1985583806 modified "2023-10-18" @default.
- W1985583806 title "Interphase Structure in Silica–Polystyrene Nanocomposites: A Coarse-Grained Molecular Dynamics Study" @default.
- W1985583806 cites W1604299009 @default.
- W1985583806 cites W1978054964 @default.
- W1985583806 cites W1982246384 @default.
- W1985583806 cites W1990330697 @default.
- W1985583806 cites W1990532369 @default.
- W1985583806 cites W1993574168 @default.
- W1985583806 cites W1998201069 @default.
- W1985583806 cites W1998876956 @default.
- W1985583806 cites W2000485513 @default.
- W1985583806 cites W2001588857 @default.
- W1985583806 cites W2007497419 @default.
- W1985583806 cites W2008342341 @default.
- W1985583806 cites W2012263229 @default.
- W1985583806 cites W2014209819 @default.
- W1985583806 cites W2034319313 @default.
- W1985583806 cites W2034732678 @default.
- W1985583806 cites W2043172651 @default.
- W1985583806 cites W2043757996 @default.
- W1985583806 cites W2044978722 @default.
- W1985583806 cites W2045331070 @default.
- W1985583806 cites W2045335147 @default.
- W1985583806 cites W2045547643 @default.
- W1985583806 cites W2046449330 @default.
- W1985583806 cites W2046494949 @default.
- W1985583806 cites W2053963961 @default.
- W1985583806 cites W2055884216 @default.
- W1985583806 cites W2059244287 @default.
- W1985583806 cites W2062291586 @default.
- W1985583806 cites W2063207236 @default.
- W1985583806 cites W2070022509 @default.
- W1985583806 cites W2071836323 @default.
- W1985583806 cites W2073040940 @default.
- W1985583806 cites W2076576057 @default.
- W1985583806 cites W2079950996 @default.
- W1985583806 cites W2088551312 @default.
- W1985583806 cites W2089676605 @default.
- W1985583806 cites W2090913292 @default.
- W1985583806 cites W2093979176 @default.
- W1985583806 cites W2095037335 @default.
- W1985583806 cites W2119822810 @default.
- W1985583806 cites W2132968809 @default.
- W1985583806 cites W2154194638 @default.
- W1985583806 cites W2159565091 @default.
- W1985583806 cites W2159838035 @default.
- W1985583806 cites W2160544343 @default.
- W1985583806 cites W2160853453 @default.
- W1985583806 cites W2169836802 @default.
- W1985583806 cites W2235454381 @default.
- W1985583806 cites W2316075278 @default.
- W1985583806 cites W2330448450 @default.
- W1985583806 cites W3101451125 @default.
- W1985583806 cites W3104918095 @default.
- W1985583806 doi "https://doi.org/10.1021/ma202044e" @default.
- W1985583806 hasPublicationYear "2011" @default.
- W1985583806 type Work @default.
- W1985583806 sameAs 1985583806 @default.
- W1985583806 citedByCount "161" @default.
- W1985583806 countsByYear W19855838062012 @default.
- W1985583806 countsByYear W19855838062013 @default.
- W1985583806 countsByYear W19855838062014 @default.
- W1985583806 countsByYear W19855838062015 @default.
- W1985583806 countsByYear W19855838062016 @default.
- W1985583806 countsByYear W19855838062017 @default.
- W1985583806 countsByYear W19855838062018 @default.
- W1985583806 countsByYear W19855838062019 @default.
- W1985583806 countsByYear W19855838062020 @default.
- W1985583806 countsByYear W19855838062021 @default.
- W1985583806 countsByYear W19855838062022 @default.
- W1985583806 countsByYear W19855838062023 @default.
- W1985583806 crossrefType "journal-article" @default.
- W1985583806 hasAuthorship W1985583806A5031860925 @default.
- W1985583806 hasAuthorship W1985583806A5050188748 @default.
- W1985583806 hasAuthorship W1985583806A5050373267 @default.
- W1985583806 hasAuthorship W1985583806A5062856936 @default.
- W1985583806 hasAuthorship W1985583806A5078510674 @default.
- W1985583806 hasAuthorship W1985583806A5083744012 @default.
- W1985583806 hasConcept C104015590 @default.
- W1985583806 hasConcept C120665830 @default.
- W1985583806 hasConcept C121332964 @default.
- W1985583806 hasConcept C127413603 @default.
- W1985583806 hasConcept C147597530 @default.
- W1985583806 hasConcept C159467904 @default.
- W1985583806 hasConcept C159985019 @default.
- W1985583806 hasConcept C166940927 @default.
- W1985583806 hasConcept C168568712 @default.
- W1985583806 hasConcept C185592680 @default.
- W1985583806 hasConcept C188027245 @default.