Molecular Dynamics Simulation Study of Eucommiaulmoides GUM/AG Nanoparticle Composites
نویسندگان
چکیده
منابع مشابه
Investigation of Melting by Molecular Dynamics Simulation
The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
متن کاملA molecular dynamics simulation study of nanoparticle interactions in a model polymer-nanoparticle composite
Molecular dynamics (MD) simulations were performed on a model polymer–nanoparticle composite (PNPC) consisting of spherical nanoparticles in a bead-spring polymer melt. The polymer-mediated effective interaction (potential of mean force) between nanoparticles was determined as a function of polymer molecular weight and strength of the polymer–nanoparticle interaction. For all polymer–nanopartic...
متن کاملCoarse-grained molecular dynamics study of block copolymer/nanoparticle composites under elongational flow.
Symmetric diblock copolymer/nanoparticle (NP) systems under planar elongational flow have been modeled and simulated using coarse-grained nonequilibrium molecular dynamics. The aim of our present study is to understand how the dispersion of NPs in a block copolymer system is influenced by elongational flow and how the presence of NPs changes the rheology and flow-induced morphology transition i...
متن کاملMechanical Properties of CNT-Reinforced Polymer Nano-composites: A Molecular Dynamics Study
Understanding the mechanism underlying the behavior of polymer-based nanocomposites requires investigation at the molecular level. In the current study, an atomistic simulation based on molecular dynamics was performed to characterize the mechanical properties of polycarbonate (PC) nanocomposites reinforced with single-walled armchair carbon nanotubes (SWCNT). The stiffness matrix and elastic p...
متن کاملMolecular dynamics simulation of titanium dioxide nanoparticle sintering.
Nanoparticles have been an area of active research in recent years due to their properties, which can be greatly different from the bulk. In this work, we study the sintering of TiO2 nanoparticles using molecular dynamics simulations. Such sintering occurs in flame reactors where nanotitania is prepared via the chloride process. Decrease in free energy due to reduction in surface area is the ma...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Advanced Composites Letters
سال: 2017
ISSN: 2633-366X,2633-366X
DOI: 10.1177/096369351702600402