Regular Article – Atomic and Molecular Collisions
Particle size and temperature effects on thermal conductivity of aqueous Ag nanofluids: modelling and simulations using classical molecular dynamics
Department of Physics, University of Kalyani, 7412352, Kalyani, Nadia, West Bengal, India
2 Mathematics for Advanced Materials Open Innovation Laboratory (MathAM-OIL), National Institute of Advanced Industrial Science and Technology (AIST), c/o Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, 980-8577, Sendai, Japan
Accepted: 18 November 2022
Published online: 9 December 2022
In the current study, we employ molecular dynamics simulations to explain how the addition of metallic (Ag) nanoparticles to an aqueous nanofluid increased the thermal conductivity with temperature. Through the Green–Kubo framework, equilibrium molecular dynamics simulations have been used to determine the thermal conductivity in the presence of metallic spherical nanoparticles of Ag. Furthermore, as system temperature rises, thermal conductivity rises as well. It has been calculated how likely it is to find a particle at a certain distance using the radial distribution function. Atom movements are amplified, according to mean square displacement investigations for the liquid and solid phases in base fluids. The rectified heat current correlation function makes a prediction regarding the thermal conductivity. For stability analysis, total kinetic energy, average running kinetic energy, potential energy, and total energy have all been investigated.
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