Simulating fluid flows in micro and nano devices : the challenge of non-equilibrium behaviour

We review some recent developments in the modelling of non-equilibrium (rarefied) gas flows at the micro- and nano-scale, concentrating on two different but promising approaches: extended hydrodynamic models, and lattice Boltzmann methods. Following a brief exposition of the challenges that non-equilibrium poses in micro- and nano-scale gas flows, we turn first to extended hydrodynamics, outlining the effective abandonment of Burnett-type models in favour of high-order regularised moment equations. We show that the latter models, with properly-constituted boundary conditions, can capture critical non-equilibrium flow phenomena quite well. We then review the boundary conditions required if the conventional Navier-Stokes-Fourier (NSF) fluid dynamic model is applied at the micro scale, describing how 2nd-order Maxwell-type conditions can be used to compensate for some of the non-equilibrium flow behaviour near solid surfaces. While extended hydrodynamics is not yet widely-used for real flow problems because of its inherent complexity, we finish this section with an outline of recent 'phenomenological extended hydrodynamics' (PEH) techniques-essentially the NSF equations scaled to incorporate non-equilibrium behaviour close to solid surfaces-which offer promise as engineering models. Understanding non-equilibrium within lattice Boltzmann (LB) framework is not as advanced as in the hydrodynamic framework, although LB can borrow some of the techniques which are being developed in the latter-in particular, the near-wall scaling of certain fluid properties that has proven effective in PEH. We describe how, with this modification, the standard 2nd-order LB method is showing promise in predicting some rarefaction phenomena, indicating that instead of developing higher-order off-lattice LB methods with a large number of discrete velocities, a simplified high-order LB method with near-wall scaling may prove to be just as effective as a simulation tool

Efficient parallel solver for high-speed rarefied gas flow using GSIS

Recently, the general synthetic iterative scheme (GSIS) has been proposed to find the steady-state solution of the Boltzmann equation in the whole range of gas rarefaction, where its fast-converging and asymptotic-preserving properties lead to the significant reduction of iteration numbers and spatial cells in the near-continuum flow regime. However, the efficiency and accuracy of GSIS has only been demonstrated in two-dimensional problems with small numbers of spatial cell and discrete velocities. Here, a large-scale parallel computing strategy is designed to extend the GSIS to three-dimensional high-speed flow problems. Since the GSIS involves the calculation of the mesoscopic kinetic equation which is defined in six-dimensional phase-space, and the macroscopic high-temperature Navier-Stokes-Fourier equations in three-dimensional physical space, the proper partition of the spatial and velocity spaces, and the allocation of CPU cores to the mesoscopic and macroscopic solvers, are the keys to improving the overall computational efficiency. These factors are systematically tested to achieve optimal performance, up to 100 billion spatial and velocity grids. For hypersonic flows around the Apollo reentry capsule, the X38-like vehicle, and the space station, our parallel solver can get the converged solution within one hour

A gas-surface interaction algorithm for discrete velocity methods in predicting rarefied and multi-scale flows

The rarefied flow and multi-scale flow are crucial for the aerodynamic design of spacecraft, ultra-low orbital vehicles and plumes. By introducing a discrete velocity space, the discrete velocity method (DVM) and unified methods can capture complex and non-equilibrium distribution functions and describe flow behaviors exactly. The unified methods predict flows from continuum to rarefied regimes by adopting unified modeling, and they can be further applied to other multi-scale physics such as radiation heat transfer, phonon heat transfer and plasma. In the flow field, the concrete dynamic process needs to describe the gas-gas interaction and gas-surface interaction (GSI). However, in both DVM and unified methods, only a simple but not accurate GSI is used, which can be regarded as a Maxwell GSI with a fixed accommodation coefficient of 1 (full accommodation) at the present stage. To overcome the bottleneck in extending DVM and unified methods to the numerical experiment and investigate real multi-scale flow physics, this paper realizes precise GSI in the DVM framework by constructing the boundary conditions of a concrete Maxwell GSI with an adjustable accommodation coefficient. In the constructing process, the problems of macro-conservation and micro-consistency in the DVS at the boundary are well solved by reflected macroscopic flux and interpolation distribution function and interpolation error correction, respectively. Meanwhile, considering that the multi-scale flows in the background of aeronautics and aerospace are often at supersonic and hypersonic speeds, the unstructured velocity space (UVS) is essential. From the perspective of generality, the GSI is forced on UVS. Besides, by combined with the unified method (the unified gas-kinetic scheme in the paper), the effectiveness and validity of the present GSI on the DVM framework are verified by a series of simulations

A global adaptive velocity space for general discrete velocity framework in predictions of rarefied and multi-scale flows

The rarefied flow and multi-scale flow are crucial for the aerodynamic design of spacecraft, ultra-low orbital vehicles and plumes. By introducing a discrete velocity space, the Boltzmann method, such as the discrete velocity method and unified methods, can capture complex and non-equilibrium velocity distribution functions (VDFs) and describe flow behaviors exactly. However, the extremely steep slope and high concentration of the gas VDFs in a local particle velocity space make it very difficult for the Boltzmann method with structured velocity space to describe high speed flow. Therefore, the adaptive velocity space (AVS) is required for the Boltzmann solvers to be practical in complex rarefied flow and multi-scale flow. This paper makes two improvements to the AVS approach, which is then incorporated into a general discrete velocity framework, such as the unified gas-kinetic scheme. Firstly, a global velocity mesh is used to prevent the interpolation of the VDFs at the physical interface during the calculation of the microscopic fluxes, maintaining the program's high level of parallelism. Secondly, rather than utilizing costly interpolation, the VDFs on a new velocity space were reconstruction using the ``consanguinity" relationship. In other words, a split child node's VDF is the same as its parent's VDF, and a merged parent's VDF is the average of its children's VDFs. Additionally, the discrete deviation of the equilibrium distribution functions is employed to maintain the proposed method's conservation. Moreover, an appropriate set of adaptive parameters is established to enhance the automation of the proposed method. Finally, a number of numerical tests are carried out to validate the proposed method

DSMC investigation of rarefied gas flow through diverging micro- and nanochannels

Direct simulation Monte Carlo (DSMC) method with simplified Bernoulli-trials (SBT) collision scheme has been used to study the rarefied pressure-driven nitrogen flow through diverging microchannels. The fluid behaviours flowing between two plates with different divergence angles ranging between 0$^{\circ}$ to 17$^{\circ}$ are described at different pressure ratios (1.5${\le}{\prod}{\le}$2.5) and Knudsen numbers (0.03${\le}$Kn${\le}$12.7). The primary flow field properties, including pressure, velocity, and temperature, are presented for divergent microchannels and are compared with those of a microchannel with a uniform cross-section. The variations of the flow field properties in divergent microchannels, which are influenced by the area change, the channel pressure ratio and the rarefication are discussed. The results show no flow separation in divergent microchannels for all the range of simulation parameters studied in the present work. It has been found that a divergent channel can carry higher amounts of mass in comparison with an equivalent straight channel geometry. A correlation between the mass flow rate through microchannels, the divergence angle, the pressure ratio, and the Knudsen number has been suggested. The present numerical findings prove the occurrence of Knudsen minimum phenomenon in micro- and Nano- channels with non-uniform cross-sections.Comment: Accepted manuscript; 25 Pages and 11 Figures; "Microfluidics and Nanofluidics