Hansen J S, Todd B D, Daivis Peter J
Centre for Molecular Simulation, Swinburne University of Technology, P.O. Box 218, Hawthorn, Victoria 3122, Australia.
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Jun;77(6 Pt 2):066707. doi: 10.1103/PhysRevE.77.066707. Epub 2008 Jun 19.
In this paper we investigate the spatiotemporal dynamics of a diatomic fluid undergoing zero mean oscillatory flow in a slit pore. The study is based on nonequilibrium molecular dynamics simulations together with two limiting solutions to the Navier-Stokes equations which include the effect of molecular rotation. By examining the viscoelastic properties of the system we can estimate the extent of the Newtonian regime, and a direct comparison between the molecular dynamics data and the solutions to the Navier-Stokes equations is then possible. It is found that the agreement is excellent, and that the vortex viscosity can be estimated by fitting the data obtained in the molecular dynamics simulations to the solutions to the Navier-Stokes equations. The quantitative effect of the coupling between the linear momentum and the spin angular momentum on flow is also investigated. We find that the maximum flow can be reduced up to 3-4 % due to the coupling.
在本文中，我们研究了在狭缝孔隙中经历零均值振荡流的双原子流体的时空动力学。该研究基于非平衡分子动力学模拟以及纳维 - 斯托克斯方程的两个极限解，其中考虑了分子旋转的影响。通过研究系统的粘弹性性质，我们可以估计牛顿区域的范围，进而能够将分子动力学数据与纳维 - 斯托克斯方程的解进行直接比较。结果发现两者吻合得非常好，并且可以通过将分子动力学模拟中获得的数据拟合到纳维 - 斯托克斯方程的解来估计涡旋粘度。我们还研究了线性动量与自旋角动量之间的耦合对流动的定量影响。我们发现，由于这种耦合，最大流量可降低高达3 - 4%。
