Pub Date : 2024-06-25DOI: 10.1557/s43579-024-00580-1
Argyrios V. Karatrantos, Lyazid Bouhala, Andreas Bick, Xenophon Krokidis, Martin Kröger
Abstract
In this paper, we investigate the morphology of ionic poly(dimethylsiloxane) silica nanocomposites of randomly grafted or chain-end-functionalized ionic PDMS melts using atomistic MD simulations. The localization of the charge alters the structure and dynamics of ionic PDMS chains near the nanosilica surface. The chain-end ionic PDMS obtains the largest dimensions, whereas the charge fraction of 10% of the random ionic copolymers leads to a contraction of PDMS chains. The charge fraction dramatically alters the dynamics of the ionic PDMS chains, although they reach the diffusive regime. An anisotropy of PDMS chain dynamics perpendicular and parallel to the nanosilica and an heterogeneity of PDMS dynamics from the nanosilica surface are observed for the longer randomly grafted and chain-end ionic PDMS chains. The longer randomly grafted ionic PDMS chains are strongly adsorbed in the vicinity of the nanosilica surface.
{"title":"Morphology, structure, and dynamics of ionic polydimethylsiloxane-silica nanocomposites","authors":"Argyrios V. Karatrantos, Lyazid Bouhala, Andreas Bick, Xenophon Krokidis, Martin Kröger","doi":"10.1557/s43579-024-00580-1","DOIUrl":"https://doi.org/10.1557/s43579-024-00580-1","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>In this paper, we investigate the morphology of ionic poly(dimethylsiloxane) silica nanocomposites of randomly grafted or chain-end-functionalized ionic PDMS melts using atomistic MD simulations. The localization of the charge alters the structure and dynamics of ionic PDMS chains near the nanosilica surface. The chain-end ionic PDMS obtains the largest dimensions, whereas the charge fraction of 10% of the random ionic copolymers leads to a contraction of PDMS chains. The charge fraction dramatically alters the dynamics of the ionic PDMS chains, although they reach the diffusive regime. An anisotropy of PDMS chain dynamics perpendicular and parallel to the nanosilica and an heterogeneity of PDMS dynamics from the nanosilica surface are observed for the longer randomly grafted and chain-end ionic PDMS chains. The longer randomly grafted ionic PDMS chains are strongly adsorbed in the vicinity of the nanosilica surface.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"17 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141518652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-06-25DOI: 10.1557/s43579-024-00584-x
Md Nurul Islam, Lee Smith, Sheldon Q. Shi, Yijie Jiang
Porous materials are pivotal in emerging fields like tissue engineering, scaffold, and drug delivery due to their distinctive porosity-driven functional properties. This paper describes how to achieve multiscale porosity in food-based composites through a thermally activated gelatinization process of amylopectin molecules coupled with 3D printing. By controlling printing paths, macropores are engineered, while degree of gelatinization governs micro- and nanopores formation. Process-microstructure relationship reveals that longer preheating treatments at higher gelatinization temperatures significantly reduce micro-pore area by over twofold and nanopore surface area by over threefold. These results provide a promising route to fabricate food-based composite with tailorable microstructures.