2018
DOI: 10.1016/j.jocs.2018.03.002
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Multimodel approach for accurate determination of industry-driven properties for Polymer Nanocomposite Materials

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Cited by 6 publications
(2 citation statements)
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“…The adopted CAMDD-based workflow is based on the adaptation and implementation of a series of computational recipes we previously developed and validated for a range of different (nano)composite polymeric materials [21,22]. Briefly, using the Rotational Isomeric State (RIS) approach [23] at room temperature, 3 independent chain configurations were constructed beginning from the optimum monomer unit for each polymer.…”
Section: Materials Designmentioning
confidence: 99%
“…The adopted CAMDD-based workflow is based on the adaptation and implementation of a series of computational recipes we previously developed and validated for a range of different (nano)composite polymeric materials [21,22]. Briefly, using the Rotational Isomeric State (RIS) approach [23] at room temperature, 3 independent chain configurations were constructed beginning from the optimum monomer unit for each polymer.…”
Section: Materials Designmentioning
confidence: 99%
“…For material design and selection, understanding and quantifying the links between material structure at the nano-and micro-scale and their macroscopic effects is, therefore, essential (e.g. see [3]). Moreover, having macroscopic models that can effectively describe the all the micro-structure related phenomenon is of paramount importance.…”
Section: Introductionmentioning
confidence: 99%