采用分子动力学模拟方法研究了Lennard—Jones(LJ)流体和硬球气体的非牛顿现象。通过模拟库特流和振荡流分析了简单流体在定常剪切力和振荡剪切力作用下的流动行为,结果表明,LJ流体和硬球气体在高剪切率下均表现出与复杂流体相似的剪切变稀,在高频振荡作用下也均出现剪切率相对剪切力的相位滞后。模拟还发现高剪切率会引起LJ流体径向分布函数和内部势能的变化,但是硬球气体由于其没有内部势能和固定的分子内部结构,传统理论不能解释上述结果。能质理论提出的能质(传输能量的等效质量)惯性导致非牛顿现象的观点很好地解释了简单流体的非牛顿行为。
The non-Newtonian behaviors of two typical simple fluids, LJ fluids and hard sphere gases, are studied using molecular dynamics simulations. Both Couette and oscillatory shear flows are investigated. In the steady shear flow, both the LJ fluid and hard sphere gas exhibit shear thinning at high shear rates. In the oscillatory flows, phase lags of the shear strain rates behind the shear stresses are observed at extreme high frequencies and the phase differences increase with frequency for both the LJ fluid and hard sphere gas. As for the physical mechanism, the changes of the pair radial distribution function and potential energy of the LJ fluid are observed at high shear rates. However, as hard sphere gases have no potential energies and fixed molecular configuration, the traditional theory cannot interpret the non-Newtonian phenomena of hard sphere gases. From the viewpoint of the recent kinetomass theory, the inertia effect of kinetomass (equivalent mass of transferred energy) can account for the non-Newtonian behaviors of simple fluids.