Multi - Scale Modeling and Performance Optimization of Graphene Composites View Homepage


Ontology type: schema:MonetaryGrant     


Grant Info

YEARS

2014-2016

FUNDING AMOUNT

300000 CNY

ABSTRACT

Graphene nanocomposites have excellent mechanical, thermal and electrical properties which hold great promise in engineering applications. However the study of graphene nanocomposites is still in the experimental trial by error stage where the basic mechanism is still unclear and the predicting and optimizing model is still lack. Graphene nanocomposites have multi-scale structures which determine their overall mechanical properties, example such as the properties of graphene interface at molecular level, the size and stacking of graphene sheet in microscopic level and the dispersion and distribution of graphene in mesoscopic level. This project aims to predict and optimize the mechanical properties of grpahene nanocomposites by bridging the multi-scale modeling of density functional theory (DFT), molecular dynamic simulation (MD) and continuum model as well as the related mechanical experiments. The main targets of the project are: (1) mechanical properties, failure and self-healing of graphene interface crosslinks such as covalent bond, ionic bond and hydrogen bond; (2) multi-scale continuum model considering graphene interface mechanics, the graphene stacking structure and graphene dispersion to predict and optimize the overall mechanical properties of grahene nanocomposites; (3) proposing the optimization str More... »

URL

http://npd.nsfc.gov.cn/projectDetail.action?pid=11302163

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