论文标题

多粒子碰撞动力学模拟粘弹性流体的流体动力相关性

Hydrodynamic correlations of viscoelastic fluids by multiparticle collision dynamics simulations

论文作者

Toneian, David, Kahl, Gerhard, Gompper, Gerhard, Winkler, Roland G.

论文摘要

研究了由多粒子碰撞动力学(MPC)方法建模的粘弹性流体的新兴流体动力学。流体由柔性的高斯幻影聚合物组成,这些聚合物通过局部动量的随机MPC碰撞而相互作用。为了进行比较,计算了线性化纳维尔 - stokes方程的分析解,其中通过时间依赖性的剪切弛豫模量考虑了粘弹性。流体特性的特征是傅立叶空间以及实际空间中的横向速度自相关函数。考虑到各种聚合物长度 - 从哑铃到(接近)连续聚合物。粘弹性会影响流体特性,并导致较强的相关性,在傅立叶空间中,总体衰减总体衰减。在实际空间中,单个聚合物的质量速度自相关功能表现出与聚合物长度无关的长期尾部,在渐近限制$ t \ to \ infty $中,在$ t^{ - 3/2} $中衰减为$ t^{ - 3/2} $。此外,对于长聚合物而言,额外的幂律衰减在时间尺度上比最长的聚合物放松时间短,但具有相同的时间依赖性,但是负相关性,而聚合物长度依赖性$ l^{ - 1/2} $。在分析结果和模拟结果之间发现了良好的一致性。

The emergent fluctuating hydrodynamics of a viscoelastic fluid modeled by the multiparticle collision dynamics (MPC) approach is studied. The fluid is composed of flexible, Gaussian phantom polymers, which interact by local momentum-conserving stochastic MPC collisions. For comparison, the analytical solution of the linearized Navier-Stokes equation is calculated, where viscoelasticity is taken into account by a time-dependent shear relaxation modulus. The fluid properties are characterized by the transverse velocity autocorrelation function in Fourier space as well as in real space. Various polymer lengths are considered---from dumbbells to (near-)continuous polymers. Viscoelasticity affects the fluid properties and leads to strong correlations, which overall decay exponentially in Fourier space. In real space, the center-of-mass velocity autocorrelation function of individual polymers exhibits a long-time tail independent of polymer length, which decays as $t^{-3/2}$, similar to a Newtonian fluid, in the asymptotic limit $t \to \infty$. Moreover, for long polymers an additional power-law decay appears at time scales shorter than the longest polymer relaxation time with the same time dependence, but negative correlations, and the polymer length dependence $L^{-1/2}$. Good agreement is found between the analytical and simulation results.

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