NDLI: Molecular dynamics simulation study of rheological properties of CuO

Content Provider	Springer Nature Link
Author	Loya, Adil Ren, Guogang
Copyright Year	2015
Abstract	Nanoparticle (NP) dispersion in engineering fluids holds significant characteristics that impact the quality and performance of liquid fluidic systems, like in biomedical fluids, contaminated water system, heat and energy transfer applications. This paper investigates the dispersal dynamics of metal oxide NPs in the aqueous fluid using large-scale Atomic/Molecular Parallel Simulator by applying CuO NPs as a targeting material with water (H$_{2}$O). Two major parameters were chosen for evaluating the actual system in the simulation: (a) Discrete particle dynamics (DPD) and (b) Charged optimized many body (COMB) potential. In comparison to the experimental results, the current molecular dynamics (MD) simulation results show good correlations with the actual MD viscosity as 2.44 mPas at 313 K. The outcomes of this study were compared with the reference study of Loya et al., i.e. CuO–water nanofluid dispersion using DPD and smoothed particle hydrodynamics that demonstrated a marginal variation between both studies.The current research investigates viscosity, diffusion coefficient and radial distribution function with implementation of COMB potential on CuO–H$_{2}$O dispersion.
Starting Page	4075
Ending Page	4082
Page Count	8
File Format	PDF
ISSN	00222461
Journal	Journal of Materials Science
Volume Number	50
Issue Number	11
e-ISSN	15734803
Language	English
Publisher	Springer US
Publisher Date	2015-03-14
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Materials Science Characterization and Evaluation of Materials Polymer Sciences Continuum Mechanics and Mechanics of Materials Crystallography Mechanics
Content Type	Text
Resource Type	Article
Subject	Ceramics and Composites Mechanics of Materials Mechanical Engineering Polymers and Plastics

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