Abstract
We studied the shear-thickening behavior of systems containing rigid spherical bodies immersed in smaller particles using non-equilibrium molecular dynamics simulations. We generated shear-thickening states through particle mass modulation of the systems. From the microstructures, i.e., two-dimensional pair distribution functions, we found anisotropic structures resulting from shear thickening, that are explained by the difference between the velocities of rigid bodies and fluid particles. The increasing viscosity in our system originated from collisions between fluid particles and rigid bodies. The lubrication forces defined in macroscale physics are then briefly discussed.
Highlights
We studied the shear-thickening behavior of systems containing rigid spherical bodies immersed in smaller particles using non-equilibrium molecular dynamics simulations
Rheological properties at the particle level have been well studied by simulation methods coupling equations of motion with Navier–Stokes equations and considering the Newtonian fluid as incompressible, as well as having a sufficiently low Reynolds number[5,6,7,8]
Forces acting on rigid bodies immersed in a Newtonian fluid are calculated as the sum of hydrodynamic forces characterizing interactions between rigid bodies and the fluid, non-hydrodynamic forces representing interactions between rigid bodies, and a Brownian term related to fluctuations owing to the system temperature
Summary
We studied the shear-thickening behavior of systems containing rigid spherical bodies immersed in smaller particles using non-equilibrium molecular dynamics simulations. Rheological properties at the particle level have been well studied by simulation methods coupling equations of motion with Navier–Stokes equations and considering the Newtonian fluid as incompressible, as well as having a sufficiently low Reynolds number[5,6,7,8]. We performed non-equilibrium molecular dynamics (NEMD) simulations to analyze the shear-thickening state of a polymer in an aqueous solution[13] This type of NEMD simulation is useful for studying fluid particles as explicit atoms or molecules to reveal the characteristic properties of the hydrodynamic forces. We report that the origin of the shear-thickening phenomenon is the collisions between rigid bodies, which are calculated by macroscale simulations, and those between rigid bodies and fluid particles
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