Influence of nanoparticle inclusion on the cavity size distribution and accessible volume in polystyrene - Silica nanocomposites
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- 作者：Evangelos Voyiatzis ; e.voyiatzis@theo.chemie.tu-darmstadt.de" class="auth_mail" title="E-mail the corresponding author ; Florian Mü ; ller-Plathe ; Michael C. Bö ; hm
- 关键词：Cavity distribution ; Polystyrene nanocomposite ; Accessible volume
- 刊名：Polymer
- 出版年：2016
- 出版时间：28 September 2016
- 年：2016
- 卷：101
- 期：Complete
- 页码：107-118
- 全文大小：2647 K
文摘
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Accessible volume and cavity distribution in polymer nanocomposites are studied.
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We employ detailed atomistic molecular dynamics simulations.
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Average cavities close to a NP are ellipsoidal and inclined by 30°.
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Peculiarities in cavity distribution persist for larger separations than in density.
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Variations of the accessible volume are not directly related to those of density.