Bian Xin, Li Zhen, Deng Mingge, Karniadakis George Em
Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Nov;92(5):053302. doi: 10.1103/PhysRevE.92.053302. Epub 2015 Nov 10.
We first study fluctuating hydrodynamics (FH) at equilibrium in periodic domains by use of the smoothed dissipative particle dynamics (SDPD) method. We examine the performance of SDPD by comparing it with the theory of FH. We find that the spatial correlation of particle velocity is always the Dirac δ function, irrespective of numerical resolution, in agreement with the theory. However, the spatial correlation of particle density has a finite range of r(c), which is due to the kernel smoothing procedure for the density. Nevertheless, this finite range of correlation can be reduced to an arbitrarily small value by increasing the resolution, that is, reducing r(c), similarly to how the smoothing kernel converges to the Dirac δ function. Moreover, we consider temporal correlation functions (CFs) of random field variables in Fourier space. For sufficient resolution, the CFs of SDPD simulations agree very well with analytical solutions of the linearized FH equations. This confirms that both the shear and sound modes are modeled accurately and that fluctuations are generated, transported, and dissipated in both thermodynamically and hydrodynamically consistent ways in SDPD. We also show that the CFs of the classical dissipative particle dynamics (DPD) method with proper parameters can recover very well the linearized solutions. As a reverse implication, the measurement of CFs provides an effective means of extracting viscosities and sound speed of a DPD system with a new set of input parameters. Subsequently, we study the FH in truncated domains in the context of multiscale coupling via the domain decomposition method, where a SDPD simulation in one subdomain is coupled with a Navier-Stokes (NS) solver in an adjacent subdomain with an overlapping region. At equilibrium, the mean values of the NS solution are known a priori and do not need to be extracted from actual simulations. To this end, we model a buffer region as an equilibrium boundary condition (EBC) at the truncated side of the SDPD simulation. In the EBC buffer, the velocity of particles is drawn from a known Gaussian distribution, that is, the Maxwell-Boltzmann distribution. Due to the finite range of spatial correlation, the density of particles in the EBC buffer must be drawn from a conditional Gaussian distribution, which takes into account the available density distribution of neighboring interior particles. We introduce a Kriging method to provide such a conditional distribution and hence preserve the spatial correlation of density. Spatial and temporal correlations of SDPD simulations in the truncated domain are compared to that in a single complete domain. We find that a gap region between the buffer and interior is important to reduce the extra dissipation generated by the artificial buffer at equilibrium, rendering more investigations necessary for thermal fluctuations in the multiscale coupling of nonequilibrium flows.
我们首先使用平滑耗散粒子动力学(SDPD)方法研究周期性域中处于平衡态的波动流体动力学(FH)。通过将SDPD与FH理论进行比较,我们检验了SDPD的性能。我们发现,与理论一致,无论数值分辨率如何,粒子速度的空间相关性始终是狄拉克δ函数。然而,粒子密度的空间相关性具有有限的r(c)范围,这是由于密度的核平滑过程所致。尽管如此,通过提高分辨率,即减小r(c),这种有限的相关范围可以减小到任意小的值,类似于平滑核收敛到狄拉克δ函数的方式。此外,我们考虑了傅里叶空间中随机场变量的时间相关函数(CFs)。对于足够的分辨率,SDPD模拟的CFs与线性化FH方程的解析解非常吻合。这证实了剪切模式和声模式都被精确建模,并且在SDPD中波动以热力学和流体动力学一致的方式产生、传输和耗散。我们还表明,具有适当参数的经典耗散粒子动力学(DPD)方法的CFs可以很好地恢复线性化解。作为一个反向推论,CFs的测量提供了一种有效的方法,用于通过一组新的输入参数提取DPD系统的粘度和声速。随后,我们通过域分解方法在多尺度耦合的背景下研究截断域中的FH,其中一个子域中的SDPD模拟与相邻子域中具有重叠区域的纳维 - 斯托克斯(NS)求解器耦合。在平衡态下,NS解的平均值是先验已知的,不需要从实际模拟中提取。为此,我们将缓冲区建模为SDPD模拟截断侧的平衡边界条件(EBC)。在EBC缓冲区中,粒子的速度从已知的高斯分布,即麦克斯韦 - 玻尔兹曼分布中抽取。由于空间相关性的有限范围,EBC缓冲区中粒子的密度必须从条件高斯分布中抽取,该分布考虑了相邻内部粒子的可用密度分布。我们引入克里金方法来提供这样的条件分布,从而保持密度的空间相关性。将截断域中SDPD模拟的空间和时间相关性与单个完整域中的进行比较。我们发现缓冲区和内部之间的间隙区域对于减少平衡态下人工缓冲区产生的额外耗散很重要,这使得对非平衡流多尺度耦合中的热波动进行更多研究成为必要。