Billy D. Todd

TL;DR: In this paper, the authors presented a simple new technique to simulate the elongational flow of a simple atomic fluid by nonequilibrium molecular dynamics (NEMD) by applying a frequency-dependent strain rate that ensures that the system attains a temporally periodic steady state.

TL;DR: The scaling exponent behavior for a Lennard-Jones fluid in the dense fliud region is accurately determined and it is found that it varies continuously between approximately 1.2 and approximately 2 as a function of density and temperature, thus confirming its nonanalyticity.

TL;DR: In this article, the authors implemented periodic boundary conditions for planar mixed flows in the context of a multi-chain Brownian dynamics simulation algorithm, with excluded volume interactions between the beads taken into account.

TL;DR: The melt rheology of four hyperbranched polymer structures with different molecular weights has been studied using nonequilibrium molecular dynamics (NEMD) and the stress optical rule was tested and shown to be valid only in the Newtonian regime and violated in the strong flow regime where it does not take into account flow-induced changes of the microstructure.

TL;DR: The rotational viscosity and the two spin viscosities for liquid water are evaluated using equilibrium molecular dynamics using the flexible SPC/Fw model and the results from molecular dynamics simulations are applied to the extended Navier-Stokes equations that include the coupling between intrinsic angular momentum and linear momentum.