مشخصات پژوهش

عنوان	Influence of hydrogen functionalization on mechanical properties of graphene and CNT reinforced in chitosan biological polymer: Multi-scale computational modelling
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	Multi-scale modelling, Mechanical properties, Graphene, Carbon nanotube, Chitosan, Hydrogen functionalization
چکیده	A well tested multi-scale modelling approach, which was described and formulated in our previous work Ebrahimi et al. (2012), is employed to investigate the elasto-plastic behaviour of the chitosan (Cs) biological polymer embedded with a hydrogenated graphene (Gr–H), and a hydrogenated carbon nanotube (CNT–H). Without any need of a parameter fitting, and the inter-atomic potentials are directly linked into a continuum-based computation, via the Cauchy–Born rule. The continuum point within a finite element (FE) mesh in continuum level is represented by an atomic cluster. The results show that H-coverage and deformation of carbon nanostructures can lead to a drop in tensile modulus of nanocomposites. In addition, we show that, deformation of nanostructures play an important role in mechanical properties of nanocomposites.
پژوهشگران	سعداله ابراهیمی (نفر اول)، هاشم رفیعی تبار (نفر دوم)