Journal ArticleDOI
Experimental and Computational Studies to Analyze the Effect of h-BN Nanosheets on Mechanical Behavior of h-BN/Polyethylene Nanocomposites
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In this paper, experimental and classical mechanics-based approaches have been used to study the reinforcing capabilities of hexagonal boron nitride (h-BN) nanosheets for polyethylene (PE)-based nanocomposites.Abstract:
In this article, experimental and classical mechanics-based approaches have been used to study the reinforcing capabilities of hexagonal boron nitride (h-BN) nanosheets for polyethylene (PE)-based nanocomposites. Experiments were performed with h-BN nanoflakes and high-density polyethylene-based nanocomposites. Experimental results reported 27.0 and 64.1% improvement in tensile strength and Young’s modulus for 5 wt % h-BN loading in PE, respectively. Experimental analysis helps in developing a micro- and macrolevel understanding of the mechanical behavior of BN/PE nanocomposites, whereas the strength of these nanocomposites is governed by interfacial properties. Interfacial properties can be easily captured using atomistic simulations such as molecular dynamics. Molecular dynamics-based atomistic models were developed to study the effect of aspect ratio, weight fraction, morphology, distribution of h-BN nanosheets, and strain rate loading on mechanical properties of the nanocomposite. A reactive force fie...read more
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Journal ArticleDOI
A novel palm sheath and sugarcane bagasse fiber based hybrid composites for automotive applications: An experimental approach
M.K. Marichelvam,P. Manimaran,Akarsh Verma,M. R. Sanjay,Suchart Siengchin,K. Kandakodeeswaran,M. Geetha +6 more
Journal ArticleDOI
2D boron nitride nanosheets for polymer composite materials
TL;DR: In this paper, the fundamental parameters that control the molecular interactions of hexagonal boron nitride nanosheets with polymer matrices are systematically reviewed, and the surface modification of BNNSs, as well as size, dispersion, and alignment of these nanoSheets have a profound effect on polymer chain dynamics, mass barrier properties, and stress-transfer efficiency of the nanocomposites.
Journal ArticleDOI
ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets
TL;DR: In this article, a reactive force field (ReaxFF) was developed to investigate the effect of water molecules on the interfacial interactions with vacancy defective hexagonal boron nitride (h-BN) nanosheets by introducing parameters suitable for the B/N/O/H chemistry.
Book ChapterDOI
Surface Modification Techniques for the Preparation of Different Novel Biofibers for Composites
Akarsh Verma,Avinash Parashar,Naman Jain,Vijay K. Singh,Sanjay Mavinkere Rangappa,Suchart Siengchin +5 more
TL;DR: This chapter reports on the various physical and chemical methods used in modifying the natural fibers properties for application in reinforcing composites, which tend to alter the surface morphology and chemical structure for enhancing the adhesive strength between fiber and matrix.
References
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Journal ArticleDOI
Effect of grain boundaries on the interfacial behaviour of graphene-polyethylene nanocomposite
TL;DR: In this article, the effect of grain boundaries on the interfacial properties of bi-crystalline graphene/polyethylene based nanocomposites was investigated, where molecular dynamics based atomistic simulations were performed in conjunction with the reactive force field parameters to capture atomic interactions within graphene and polyethylene atoms.
Journal ArticleDOI
Interactions between polymers and single-walled boron nitride nanotubes: a molecular dynamics simulation approach.
TL;DR: Comparisons with those of the similar carbon nanotube (CNT)-polymer composites reveals that the BNNT-polymer interactions are much stronger, which is the most important result of this work.
Journal ArticleDOI
Effects of temperature and strain rate on the deformation of amorphous polyethylene: a comparison between molecular dynamics simulations and experimental results
TL;DR: In this article, the effects of temperature and strain rate on the stress-strain responses, Young's modulus and Poisson's ratio similar to those observed in laboratory experiments performed by other researchers, were investigated.
Journal ArticleDOI
Boron nitride nanosheets as barrier enhancing fillers in melt processed composites
Shaobo Xie,Oana M. Istrate,Peter M. May,Sebastian Barwich,Alan P. Bell,Umar Khan,Jonathan N. Coleman +6 more
TL;DR: Melt-processing to mix liquid-exfoliated boron-nitride nanosheets with PET to produce composites for gas barrier applications showed very good barrier performance with oxygen permeability reductions of 42% by adding just 0.017 vol% nanOSheets.
Journal ArticleDOI
Theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. II. Collision, storage, and adsorption
TL;DR: The MD simulations find that hydrogen atoms dissociated at the wall cannot bind to either boron or nitrogen atoms in the interior wall of the nanotube, and it is determined that hydrogen should have the incident energy >22 eV to go inside the Nanotube.
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