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Full Terms bTheStateKeyLaboratoryofHigh-temperatureGasDynamics(LHD),InstituteofMechanics,ChineseAcademyofSciences, Beijing,China ARTICLEHISTORY ReceivedNovember AcceptedFebruary KEYWORDS Roescheme;all-speed scheme;largeeddy simulation;homogeneous decayingturbulence; numericaldissipation ABSTRACT As a type of shock-capturing scheme, the traditional Roe scheme fails in large eddy simulation (LES) because it cannot reproduce important turbulent characteristics, such as the famous k5/3spectral law, as a consequence of the large numerical dissipation. In this work, the Roe scheme is divided into five parts, namely, , Up, pp, Uu, and pu, which denote basic upwind dissipation, pressure difference-driven modification of interface fluxes, pressure difference-driven modification of pres- sure, velocity difference-driven modification of interface fluxes, and velocity difference-driven mod- ification of pressure, respectively. Then, the role of each part in the LES of homogeneous decaying turbulence with a low Mach number is investigated. Results show that the parts Uu, pp, and Up have little effect on LES. Such minimal effect is integral to computational stability, especially for Up. The large numerical dissipation is due to and pu, each of which features a larger dissipation than the sub-grid scale model. On the basis of these conditions, an improved all-speed Roe scheme for LES is proposed. This scheme can provide satisfactory LES results even for coarse grid resolutions with usually adopted second-order reconstructions for the finite volume method. 1. Introduction Large eddy simulation (LES) has become increasingly important in the unsteady turbulence computation of incompressible and compressible flows. It achieves satis- factory development, especially for incompressible flows. As one of the most important achievements of computa- tionalfluiddynamics(CFD),theshock-capturingscheme is generally adopted for compressible flow computation. Therefore, the role of intrinsic numerical dissipation in the shock-capturing scheme needs to be identified for LES. In recent years there are several state-of the-art arti- cles for the error analyses of implicit LES computations with shock-capturing schemes, such as the monograph of Grinstein, Margolin, and Rider (2007), and journal papersofSanandKara(2014,2015),whichaddressdissi- pation mechanism of shock-capturing schemes for two- dimensional decaying turbulence characteristics. The classical Roe scheme, as one of the most popular shock- capturingschemes,hasalsobeeninvestigatedfortheLES of homogeneous decaying turbulence (HDT) with a low Mach number (Garnier et al. 1999; Thornber, Mosedale, and Drikakis 2007). However, the result of this scheme is CONTACT Xue-songLixs-li disappointing because it cannot reproduce many impor- tant turbulent characteristics. For example, the popular k5/3spectral sub-ranges in the self-similar decay stage of the Roe scheme for LES can only be produced in a very narrow range of wave numbers. In fact, in a range of high wave numbers, the numerical slope of the kinetic energy spectrum reaches approximately 5, which is sig- nificantly greater than 5/3 of all the schemes (Garnier et al. 1999; Thornber, Mosedale, and Drikakis 2007), including the fifth-order (Garnier et al. 1999) and ninth- order(Thornber,Mosedale,andDrikakis2007)schemes. Such difference indicates that the physical sub-grid scale (SGS) dissipation is fully immersed by the numerical dis- sipation and cannot satisfy one of the following condi- tions for a scheme for LES (Garnier et al. 1999): (1) Numerical dissipation is significantly lower than physical SGS dissipation (condition (C1). (2) Numericaldissipationisabletomimicthefeatures of an SGS model (condition (C2). Notably, the shock-capturing scheme itself cannot be directly used for incompressible flow not only in LES but also in the general computation even for Euler flows; its direct use produces unphysical results Taylor Turkel 1999). The traditional curing method is a preconditioning technology, based on which many improved schemes have been devel- oped; however, schemes such as the preconditioned Roe (Weiss and Smith 1995; Huang 2007), AUSM (Advection Upstream Splitting Method)-type (Liou 2006; Shima and Kitamura 2011), and HLL (Harten -Lax -van Leer)-type (Park,Lee,andKwon2006;LuoandBaum2005)schemes suffer from several limitations. These defects are identi- fied(LiandGu2013)asthenon-physicalbehaviourprob- lem, the global cut-off problem, and the checkerboard problem. The non-physical behaviour problem means that at a lowMachnumberspeed,thephysicalpressurescaleswith the square of the Mach number, i.e., p(x,t) = P0(t) + M2 p2(x,t); however, the pressure fluctuation solution of the shock-capturing scheme scales with the Mach number, i.e., p(x,t) = P0(t) + Mp1(x,t), where x and t denote space and time, respectively. Therefore, the direct use of the shock-capturing scheme for LES is inappropriate. Undertheglobalcut-offproblem,thelocalMachnum- berisreplacedwiththeglobalreferenceMachnumberfor almost all improved shock-capturing schemes by the tra- ditional preconditioning technology. The problem lim- its the accurate simulation of mixed flows with low and highMachnumbers.Forexample,foraflowregionwhere shock waves coexist with incompressible flows such as the boundary layer, the calculation of the incompressible region cannot benefit from preconditioning because of the global cut-off problem. The process, in turn, suffers fromthenon-physicalbehaviourproblem.Therefore,the use of the traditional preconditioned scheme for LES is inappropriate. Thecheckerboardproblemreferstotheclassicalprob- lem of pressurevelocity decoupling, which indicates a pressure solution with checkerboard oscillation for incompressible flows. The scheme for low Mach num- ber flows must feature a mechanism for suppressing the checkerboard problem; otherwise, the computation becomes unstable and divergent. Therefore, the suppres- sion mechanism should also be investigated for LES because it cannot be avoided. The three problems may all be due to the construc- tion of the numerical dissipation of the scheme; they are addressed on the basis of three general rules (Li and Gu 2013). These rules increase the possibility of obtaining an LES scheme that satisfies condition (C1) or condition (C2) by modifying the shock-capturing scheme. How- ever, according to the general premise of these three gen- eralrules,amethodthatsatisfiesLESshouldstillbeiden- tified. In this work, we investigate the role of each term of the numerical dissipation of the Roe scheme for LES and then propose an improved Roe scheme that satisfies condition (C2). The outline of this paper is as follows. Section 2 presents the governing equations and the different forms of the Roe scheme. Section 3 discusses the effect of each part of the Roe scheme in LES. Section 4 proposes an improvedall-speedRoeschemeforLESthatsatisfiescon- dition (C2). Finally, Section 5 closes the paper with some concluding remarks. 2. Governing equations and the Roe scheme 2.1. Governingequations The governing three-dimensional NavierStokes equa- tions can be written as follows: Q t + F x + G y + H z = Fv x + Gv y + Hv z ,(1) whereQ = u v w E is the vector of conservation variables; F = u u2+ p uv uw u(E + p) , G = v uv v2+ p vw v(E + p) , and H = w uw vw w2+ p w(E + p) are the vectors of Euler fluxes; Fv, Gv, and Hvare the vectors of the viscous fluxes, the details of which are not presented hereforsimplicity; isfluiddensity; pispressure;E isthe total energy; and u, v, w are the velocity components in the Cartesian coordinates (x, y, z), respectively. 2.2. OriginalformoftheRoescheme The classical Roe scheme can be expressed as the follow- ing general sum form of a central term and a numerical dissipation term: F =Fc+Fd,(2) whereFcis the central term and Fdis the numerical dis- sipation term. Fc, 1/2= 1 2 ? FL+FR?,(3) F = U u v w H + 0 nxp nyp nzp 0 ,(4) Fd, 1/2= 1 2R1/2?1/2 ?R 1/2 ?1 (QR QL),(5) Downloaded by Tsinghua University at 04:42 17 March 2016 INTERNATIONAL JOURNAL OF COMPUTATIONAL FLUID DYNAMICS3 R = nxnynz11 nxunyu nznzu + nyu nxcu + nxc nxv + nznyvnzv nxv nycv + nyc nxw nynyw + nxnzww nzcw + nzc nzv nyw + V2 M 2 nxnxw nzu + V2 M 2 nynyu nxv + V2 M 2 nzH cUH + cU ,(6) ?Roe= |U| |U| |U| |U c| |U + c| ,(7) where c is the speed of sound; V2 M = u2+ v2+ w2; U = nxu + nyv + nzw is the normal velocity on the cell inter- face; His the total enthalpy; and nx, ny, and nzare the components of the face-normal vector. 2.3. ScalarformoftheRoescheme Following Weiss and Smith (1995), the numerical dissi- pation term of the Roe scheme in Section 2.2 can also be rewritten in the following scalar form: Fd= 1 2 ? ?(u) ?(v) ?(w) ?(E) + p 0 nx ny nz U + U u v w H . (8) Equation (8) can be regarded as the uniform frame- work for the shock-capturing scheme (Li 2014), and the three terms on the right side have explicit physical mean- ings: the first term denotes basic upwind dissipation and can be regarded as low Mach-number Roe scheme for LES (Li, Xu, and Gu 2008), the second term denotes a modification of the interface pressure, and the third term denotes a modification of the interface fluxes. Li (2014) proposesthefollowingequations,whicharestrictlyequal to the vector form in Section 2.2: = |U|,(9) p = |U c| |U + c| 2 c + ? |U| |U c|+ |U + c| 2 ? U? ?(U), (10) U = 1 ?|U c|+ |U + c| 2 |U| ? + |U c| |U + c| 2c U? ?(U), (11) where = 1 c2 ?V2 M 2 ? u?(u) v?(v) w?(w) + ?(E) ? (12) and is the ratio of the specific heat values. With the assumption ?() = ? + ?,(13) where represents one of the fluid variables, the follow- ing equations can be obtained: = ?p c2 andU? ?(U) = ?U.(14) Further, the terms U and pcan be subdivided as the sub-terms driven by pressure difference ?p and velocity difference ?U. U = Up+ Uu,(15) p = pp+ pu.(16) pp= |U c| |U + c| 2 ?p c ,(17) pu= ? |U| |U c|+ |U + c| 2 ? ?U,(18) Up= ?|U c|+ |U + c| 2 |U| ? ?p c2 ,(19) Uu= |U c| |U + c| 2c ?U.(20) Downloaded by Tsinghua University at 04:42 17 March 2016 4X.-S. LI AND X. LI That is, Up, Uuand pp, pudenote the pressure difference-driven and velocity difference-driven modifi- cations on the interface velocity and pressure, respec- tively. For the low Mach number flows, Equations (17)(20) can be simplified as follows: pp= U c ?p,(21) pu= (c |U|)?U,(22) Up= (c |U|) ?p c2 ,(23) Uu= U c ?U.(24) As demonstrated by Li (2013, 2014), the non-physical behaviour problem is due to puand the checkerboard problem is due to Up. The Roe scheme has an inher- entmechanismofsuppressingthecheckerboardproblem becauseUpplaysarolesimilartothatofthemomentum interpolation method (Li and Gu 2010); however, it fails to resolve the non-physical behaviour problem because the coefficient of the velocity difference dissipation term ?U inpuistoolargewiththeorderofO(c).Uuandpp seem trivial for the low Mach number flows because they have little effect on numerical results (Li and Gu 2013). The above discussionsindicate that the numerical dis- sipation of the Roe scheme can be divided into five parts, namely, , Up, Uu, pp, and pu. These parts have dif- ferent effects on computation and can be modified inde- pendently according to specific requirements. This divi- sion provides a new way to develop LES schemes. More- over, this approach is different from the traditional way of increasing the order of schemes and appears to be important, especially under the current condition of the finitevolumemethodinwhichthetraditionalhigh-order approachisdifficulttoemployinLES(Garnieretal.1999; Thornber, Mosedale, and Drikakis 2007). Therefore, in thefollowingsection,therolesofthefivepartsintheLES of HDT are investigated. 3. Mechanism of the Roe scheme for the LES of HDT 3.1. Numericalmethod To understand the effect of the five parts of the Roe scheme on LES, nine cases are designed and presented in Table 1. In Table 1, the numbers refer to the coefficients of the five parts of the Roe scheme and the Smagorin- sky model (denoted as SMA), which is the classical SGS Table. Ninecases. Smagorinsky UpUupppumodel(SMA) Case(Cen-SMA) Case(Cen) Case(Roe) Case() Case(Up) Case(Uu) Case(pp) Case(pu) Case(0.5). model of LES. SMA= C2 s? 2?2SijSij, (25) whereSij= 1 2 ?u i xj + uj xi ?,thefilterwidth?isequaltothe cell size, and the Smagorinsky constantCSis set to 0.2. Therefore, Case 1 (denoted as Cen-SMA for clarity) entails a normal LES process, in which the SMA and a centre scheme are adopted, i.e., Fd= 0.(26) In Case 2 (denoted as Cen), only the centre scheme without the SGS model is adopted to understand the behaviour of the scheme itself. Case 3 (denoted as Roe) is simply the Roe scheme because of the adoption of all five parts. In Cases 48 (denoted as , Up, Uu, pp, and pu),onlyonepartoftheRoeschemeisadoptedtoinves- tigate the role of each part. To mimic the Smagorinsky model, only with a coefficient of 0.5 is adopted in Case 9 (denoted as 0.5), i.e., Fd= 0.5?Q = 0.5|U|?Q,(27) whichrepresentsonlyhalfofthenumericaldissipationof the common basic upwind dissipation in this case. For the high-order accuracy of space discretisation, there are many reconstruction methods such as the monotone upstream-centred schemes for conservation laws (MUSCL) (Van Leer 1979; Leng et al. 2012), the weightedessentiallynonoscillatoryscheme(WENO)(Su, Sasaki, and Nakahashi 2013a, 2013b), and the discon- tinuous Galerkin method (DG) (Ren et al. 2015; Ren and Gu 2016). In this paper, the finite volume second- order-accuracyMUSCLwithathree-orderinterpolation, i.e., the MUSCL4 reconstruction (Garnier et al. 1999), is adopted because it is widely used and is accurate enough compared with other higher-order methods (Garnier et al. 1999; Thornber, Mosedale, and Drikakis 2007). The limiter for shock is not used because it is not necessary for low Mach number flows. The finite volume method, Downloaded by Tsinghua University at 04:42 17 March 2016 INTERNATIONAL JOURNAL OF COMPUTATIONAL FLUID DYNAMICS5 Figure . Kinetic energy spectra for Cases , , , , and at the grid. Figure . Kinetic energy spectra for Cases , , , , and at the grid. and not the finite difference method, is adopted, such as thatinreferenceThornber,Mosedale,andDrikakis2007. In this way, the conclusions can be easily extended to the practicalCFDcomputationofengineeringproblems.For timediscretisation,thefour-stageRungeKuttaschemeis adopted. 3.2. LESofhomogeneousdecayingturbulence The initial condition for the HDT is set as that in refer- ences Samtaney, Pullin, and Kosovic (2001) and Li, Fu, and Ma (2002). The velocity is initially divergence free and is given from the initial energy spectrum E(k) = Ak4exp(2k2/k2 0) with random phase and k0 = 2. All thermodynamic quantities (pressure, density, and tem- perature) are initially constant. The initial root-mean- square Mach number is 0.2. The spatial mesh resolutions are 323, 643, and 1283. The 1283grid can obtain satisfac- tory results, and the 323and 643grids are important in complex practical flows in engineering problems because Figure . Kinetic energy spectra for Cases , , , , and at the grid. Figure . Kinetic energy spectra for Cases , , , , and at the grid. with limited computational resources, the mesh resolu- tion is usually only equivalent to 323 643or lower in practice. All simulations for all mesh resolutions are per- formed up to a period of t = 5, which corresponds to approximately seven large-eddy-turnover times because the initial large-eddy-turnover time is approximately 0.71. The definition of large-eddy-turnover time can be found in reference Samtaney, Pullin, and Kosovic (2001). Theone-dimensionalenergyspectrumE(k)iscomputed by the integration of three-dimensional energy spectrum E(k1,k2,k3) in the spherical shell k = ?k2 1+ k22+ k23 in spectrum space, i.e., it is a shell-integrated spectrum. According to the famous Kolmogorov theory, in the self-similardecaystage,energyispasseddownfromalow wavenumberktoahighwavenumberwithk5/3spectral law in the inertial sub-range. Finally, this energy is dissi- pated into heat in the dissipative sub-range of sufficiently small length scales by the fluid viscosity. To test the abil- ity of producing important k5/3sub-ranges, the kinetic energy spectrum is shown in Figures 14. As expected, Case 1 (Cen-SMA) produces good results. Downloaded by Tsinghua University at 04:42 17 March 2016 6X.-S. LI AND X. LI Table. ThevelocitystructurefunctionofskewnesstensorS3. Case(Cen-SMA). Case(Roe). Case(). Case(pu). Case(0.5). ForCase2(Cen),Case5(Up),Case6(Uu),andCase 7 (pp), convergence fails for all the mesh resolutions. Figure 1 provides the kinetic energy spectrum of the four failed cases before their divergence at the 323grid. As shown in this figure, the energy accumulates in the sub- rangeofhighwavenumbersbecauseofthelackofaphys- ical or numerical dissipation mechanism. The result of Case 6 (Uu) almost overlaps that of Case 2 (Cen); hence, the numerical dissipation of the term Uuis almost zero. The result of Case 7 (pp) indicates that the term pp has a small negative dissipation. According to the result of Case 5 (Up
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