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Keywords: Numerical Uncertainty, Large Eddy Simulation (LES), Quality Index, Com-
putational Fluid Dynamics (CFD)
1 Introduction tests whereby model predictions are compared to the SGS stresses
obtained from DNS 共or experiments兲 by filtering; 共ii兲 a posteriori
It is anticipated that the use of LES 共large-eddy simulation兲 in
testing whereby actual LES results are compared with results from
engineering applications will increase significantly in the coming DNS or experiments. Vreman et al. 关9兴 dismiss the a priori testing
years. It is already becoming a user option in commercial CFD procedure, arguing that they usually are too pessimistic, since low
共computational fluid dynamics兲 packages such as FLUENT. It is correlations between stresses and predictions do not necessarily
then imperative that there should be some quality control on the lead to poor LES results. Pope 关11兴 also mentions that models that
simulations claimed to be LES. Uncertainty/quality assessment in perform poorly on a priori tests may perform well on a posteriori
RANS 共Reynolds-averaged Navier–Stokes兲 simulations has been tests. The second approach has the well-known difficulty of dis-
investigated at length 关1–4兴 and there are even some guidelines criminating between the numerical or discretization errors and the
关5–7兴 for assessment and reporting of numerical uncertainty in modeling errors 关12兴 in order to determine the magnitude of tur-
such simulations. The assessment of uncertainty in LES is not so bulent energy dissipation rate introduced by the SGS model, i.e.,
trivial, as both the numerical discretization error and the subgrid SGS.
scale contributions are proportional to grid size. As it was rightly The total error 共hence the uncertainty兲 in LES, LES, consists of
pointed out by Speziale 关8兴, a good LES is that which tends to two major components, namely numerical discretization error,
DNS 共direct numerical simulations兲 as the grid resolution tends to num, and modeling 共i.e., subgrid scale, model兲 error, SGS. Al-
the smallest scales, i.e., the Kolmogorov scales. Therefore, there is though these components are usually correlated, for brevity one
no such thing as grid-independent LES in theory, because a grid- can write
independent LES is essentially DNS, and the philosophy of LES
loses its meaning if it is grid independent; the advantage of LES LES = num + SGS , 共1a兲
over DNS being that LES is much more economical while it only
requires the resolution of the most energetic eddies that determine LES = ijhS̄ij + ijrS̄ij 共1b兲
the essential flow quantities and their consequences. If the main where is the numerical stress and rij is the residual 共or subgrid兲
hij
purpose of an LES is to capture only the mean flow dynamics, the stress. In a good LES study, for a given filter width ⌬, the grid
above argument may not hold, but that would be a very limited
size h should be chosen such that hij Ⰶ rij. It is important to note
and costly purpose for LES. It is well known that physical phe-
that in some cases num and SGS may have different signs, thus
nomena such as mixing and combustion are strongly dependent on
canceling each other, which would result in a small total error.
intensity of turbulent fluctuations and the convection by these
In Eq. 共1a兲 num must be minimized, which inevitably will re-
fluctuations that eventually exhibit themselves as turbulent diffu-
quire fine-grid LES. This is problematic not only because of the
sion. Hence, in most applications of LES the prediction of turbu- computational cost and time, but also it has the disadvantage that
lence statistics is at least as important as the prediction of mean
in most practical applications of LES as num decreases so does
flow quantities. With such a premise, it is necessary that some
SGS. Such calculations seem to constitute the bulk of LES studies
quality assessment measures be formulated for LES geared to-
关13,14兴. Only in rare cases where num goes to zero much more
wards engineering applications. This is the subject of the present
rapidly than SGS would grid independent solutions be feasible.
study.
Consider for example the most widely used Smagorinsky model,
According to Vreman et al. 关9,10兴, there are two approaches for
where the subgrid eddy viscosity vSGS is proportional to ⌬4/3 共Ref.
testing the performance of SGS 共subgrid scale兲 models: 共i兲 a priori
关11兴, p. 588兲, ⌬ being the filter length which is usually taken
proportional to the grid size, h. If the numerical scheme is second
Contributed by the Fluids Engineering Division for publication in the JOURNAL OF order and the order of accuracy degenerates slightly for various
FLUIDS ENGINEERING. reasons such as maintaining stability, then the above procedure
Journal of Fluids Engineering Copyright © 2005 by ASME SEPTEMBER 2005, Vol. 127 / 949
冉 冊
LES គ IQ = m 共7兲 model constants should actually be made functions of the turbu-
h
1 + ␣ lence Reynolds number and ⌬ / h, but as a first indicator, we be-
lieve that these values would be sufficient. We recommend these
where k = 共v3 / 兲1/4; if the dissipation rate is not known from relations as an approximate quality measure everywhere for wall-
DNS or experiments k should be calculated using its apparent resolved LES and away from the wall when LES is used with wall
value eff = res + num, i.e., the numerical dissipation should not be functions.
ignored. Equation 共A3兲 共Appendix A兲 also indicates that for a good LES
An alternative index can be based on the ratio 具vt + vnum典 / v the grid size should be around h ⬵ / 8, which fortifies the judg-
= 具vt,eff典 / v, e.g., ment that there should be at least 8 cells to resolve an eddy of size
. It follows that, for example, in a channel flow the centerline
1 flow is easy to resolve; however, near the wall → 0 ⇒ h → 0,
冉 冊
LES គ IQv = 共8a兲
具vt,eff典 n which makes it difficult to resolve wall-bounded flows appropri-
1 + ␣v ately. Note also that = f共Ret兲; usually as Ret decreases both the
v
integral length scale and turbulent time scale increase, which
or in turn causes a moderate decrease in the velocity scale, u = /
1 and an increase in the Kolmogorov length scale, k. It then fol-
冉 冊
LES គ IQv = 共8b兲 lows that, at low Ret, there is less restriction on the grid size h to
s* n
1 + ␣v obtain a good LES; i.e., with the same grid size, h, one can obtain
共1 − s*兲 a higher LESគIQ, as Ret decreases. Similar arguments should ap-
The parameters ␣, ␣v, m, and n in Eqs. 共7兲 and 共8兲 can be deter- ply to Eq. 共8a兲 as well, noting that k ⬃ v and ⬃ vt.
mined using the rationale explained in Appendix A, that h ⬵ k for In both Eqs. 共7兲 and 共8兲 the molecular viscosity is used 关note
DNS, h ⬵ 25k for LES; the corresponding values are 具vt,eff典 / v that k = 共v3 / eff兲1/4兴 with the anticipation that LES are meaning-
⬵ 1 for DNS and 具vt,eff典 / v ⬵ 20 共see Appendix A兲 for LES. In ful only when it is applied to viscous laminar or turbulent flows
where the viscosity plays an important role in the generation of
DNS simulations, the residual viscosity vt is typically about twice
the molecular viscosity 共Ref. 关11兴, p. 603兲. If we consider that an shear and turbulence. Cases where v ⬅ 0 would be meaningless
index of quality greater than 80% is a good LES, and that 95% for LES; hence, these equations should not be applied.
In both of the above expressions the inherent difficulty is the
and above is considered as DNS, this yields m ⬵ 0.5, ␣ = 0.05,
calculation of k = 共v3 / eff兲1/4 and vt,eff both including the effect of
n ⬵ 0.53, ␣v = 0.05. Concerning resolution of DNS and LES, Pope
关11兴 suggests that 80% of the energy be resolved everywhere for numerical dissipation. It seems more practical to make use of the
LES with near-wall resolution. Moreover, in three-dimensional resolved turbulent kinetic energy kres versus the total ktot = kres
flow using the Kolmogorov spectrum for high Reynolds number + kSGS + knum, the latter two terms being the contribution from the
homogeneous isotropic turbulence, it can be shown 共Ref. 关11兴, p. SGS model and the numerical dissipation, respectively. If one can
577兲 that 80% of the energy is resolved when ⌬ ⬵ , where is make the assumption that keffគSGS = 共ktot − kres兲 scales with the mesh
the integral length scale. To give an idea of the relative magnitude size h, then an index of quality similar to Eqs. 共7兲 and 共8兲 can be
of subgrid viscosity vt versus vnum, we refer to Froehlich and Rodi defined as 关see also Eq. 共18兲兴
关14兴. They reported that when the QUICK scheme was used, kres kres
vt / v ⬵ 1.0 and vnum / v ⬵ 180 were typical values near the center- LES គ IQk = = 共9兲
ktot kres + akh p
line of a channel flow simulated by employing a Smagorinsky
model. The functions 共7兲 and 共8兲 are plotted in Fig. 2 for two Here, kres is the resolved kinetic energy, ktot is the total kinetic
values of the turbulence Reynolds number Ret, one at the high energy, h is the grid size, ak is a coefficient to be determined, and
冋 册
LES គ IQk = 1 − 共18兲
1/3 ktot
兺
1
heq = ⌬∀i 共12兲
N and ktot − kres = keffគSGS = akh p be approximated in the same way as
where ⌬∀i is the volume of a computational cell, N is the total before.
number of cells, and the summation is over all the cells. Equation In the above formulation it is assumed that the mesh size h and
共12兲 has been used in the literature 共see Refs. 关3,2,1兴兲 successfully the filter width ⌬ are approximately equal to each other. Hence,
to characterize both structured and unstructured grids, but it is the contributions from subgrid scale modeling and the discretiza-
more suitable for structured and geometrically similar grids. In tion errors can be lumped together as in Eqs. 共10兲 and 共11兲. How-
writing Eqs. 共10兲 and 共11兲, it is assumed that the leading term in ever, when the filter length is different than the grid size 共see for
the truncation error series is dominant; in other words, the grid example Ref. 关18兴兲, then the resolution index should be modified
resolution is in the asymptotic range 共see Ref. 关3兴兲. We should also to account for these two major components separately
mention that Richardson extrapolation works well for monotonic ktot − kres = keffគSGS = ah p + b⌬q 共19兲
grid convergence; if the convergence is oscillatory it should be
used with caution 共see Ref. 关21兴兲. where p denotes the order of accuracy of the numerical scheme
Equations 共10兲 and 共11兲 can be solved for ak to yield and q denotes the order of the modeling error, and a and b are the
冋 册
constants. Hence, the expression for LESគ IQk may be rewritten as
1 kres res
2 − k1
ak = 共13兲 kres
h2 ␣ − 1
p p LES គ IQk = res 共20兲
k + ah p + b⌬q
where ␣ = h1 / h2 ⬎ 1 is the grid refinement parameter.
If the order, p, of the discretization error is known and it is
Hence, the expression for LESគ IQk becomes
assumed that usually the SGS modeling introduces a second-order
kres dissipation term 共i.e., q = 2兲, Eq. 共20兲 can be evaluated with three
冉冊
LES គ IQk = 共14兲 sets of grids. If q = p Eq. 共20兲 reduces to Eq. 共9兲 with a modified
共kres
2 − k1 兲
res
h p
k res
+ constant a*k = 共ar p + b兲 共note: r = h / ⌬兲; then, two sets of calcula-
␣ −1
p
h2 tions on sufficiently refined grids would suffice. It should be noted
Rearranging Eq. 共14兲 for both grid sizes yields that the first term on the right-hand side of Eq. 共19兲 represents the
numerical/discretization error, and the last term represents essen-
Fine-grid index: tially the modeling error. However, due to the convolution of these
1 errors during an actual simulation, it is usually not possible to
冉 冊
LES គ IQkf = 共15兲 segregate the two from each other unless one is made dominant
kres
1 over the other by design.
1+ 1− 共␣ p − 1兲−1
kres
2
Coarse-grid index: 4 Application and Results
1 The proposed quality index concept has been applied to six
冉 冊
LES គ IQck = 共16兲 different cases, namely the LES of flow around a square cylinder
kres
2 关26兴, case 1; the turbulent mixing layer 关27兴, case 2; channel flow
1+ − 1 ␣ p共␣ p − 1兲−1
kres
1 关28兴, case 3; surface piercing flat-plate boundary layer 关22兴, case
4; ship wake flow 关29–31兴, case 5; and vertical buoyant jet flow
Furthermore, a relative index based on experimental or DNS 关32兴; case 6. The formal order of the schemes used in all six of
results can be defined as these cases was second order both in space and time discretiza-
tion. We also utilized the mixing layer simulations by Geurts and
兩kexp − kres兩 Froehlich 关18兴 to study the effect of filter size versus grid size. In
IQ គ EX = 1 − 共17a兲
kexp what follows we only briefly describe these cases taken from al-
ready published literature. The reader is referred to the original
兩kDNS − kres兩 reference for more details.
IQ គ DNS = 1 − 共17b兲 For the first case, two calculations were used with 185⫻ 105
kDNS
⫻ 25 共case 1.1兲 and 265⫻ 161⫻ 25 共case 1.2兲 computational cells,
The absolute value in Eq. 共17兲 is necessary for cases where where the grid distribution was uniform with a constant cell size,
⌬kexp = 共kexp − kres兲 or ⌬kDNS = 共kDNS − kres兲 is less than zero. Theo- h. The resolved turbulent kinetic energy values 关26兴 are presented
retically, both of these quantities should be larger than zero in the in Fig. 3共a兲 for two different sets of grids. We applied Eqs. 共15兲
and 共16兲; the calculated quality index for case 1.1 and case 1.2 is periments include the periodic fluctuations due to the coherent
shown in Fig. 3共b兲. It is seen that for both grid resolutions, Kelvin–Helmholtz waves. This complicates the analysis further. It
LESគIQ is approximately 95%. Sohankar et al. 关26兴 have stated seems that Eq. 共18兲 is more appropriate for this case. The calcu-
that their results with these two grid resolutions were in good lated LESគIQ from Eq. 共18兲 is depicted in Fig. 4共b兲 along with the
agreement with experiments, reflecting the high LESគIQ we true index IQគEX calculated from Eq. 共17兲. The proposed LESគIQ
found. for both coarse- and fine-grid resolution follows closely the
The kinetic energy values for mixing layer flow simulations IQគEX values based on experimental values of k. The observed
关27兴 with grids of 200⫻ 80⫻ 40 共case 2.1兲 and 300⫻ 120⫻ 60 LESគIQ values indicate the quality of LES is good in the middle
共case 2.2兲 along with approximated experimental results 关33兴 are section of the shear layer but it deteriorates considerably near the
shown in Fig. 4共a兲. Here, kexp was calculated by assuming vrms outer boundaries; the quality is particularly low 共50%兲 for the
= wrms; Rightley 关33兴 reported only urms and vrms values. The di- coarse-grid resolution near the boundaries of the calculation do-
mensions of the calculation domain used by Badeau were 0.55 main.
⫻ 0.2⫻ 0.2 m, and uniform grid was used in all three directions. For the channel flow 共case 3兲, two calculations were carried out
Using Eqs. 共15兲–共17兲, LESគIQ and IQគEX are obtained for this with 343 共case 3.1兲 and 663 共case 3.2兲 grids with a nonuniform
case shown in Fig. 4共a兲, where ⌬kres attains both positive and grid distribution in the vertical direction 关28兴. The Reynolds num-
negative values. When the original formulation 关Eq. 共9兲兴 sug- ber, based on the half-channel height, is 33 000. These calcula-
gested by Celik et al. 关34兴 was used, the LESគIQ values in some tions were performed with an imposed pressure gradient corre-
locations were higher than 1.0, which is unrealistic. This can be sponding to Re= 33 000; only the fluctuating part of the pressure
due to the measurement errors or a high level of backscatter in the was calculated. This practice, combined with the periodicity of the
LES simulations 共see also the discussion in Appendix A兲. It flow in axial and spanwise directions, makes the LES of channel
should be pointed out that in this case both LES results and ex- flow easier. Hence, acceptable results can be obtained away from
the walls with relatively coarse grid resolutions. The computed space. Here, the details of the grid distribution are not known. We
turbulent kinetic energy and curve fit to the measurements of Hus- calculated the global grid index parameter from Eq. 共12兲 and
sain and Reynolds 关35兴 are shown in Fig. 5共a兲. Equation 共18兲 was LESគIQ from Eqs. 共15兲 and 共16兲. It is seen from Fig. 6共b兲 that the
used to compute LESគIQ; the results are shown in Fig. 5共b兲. calculated index of quality gives values in the range from approxi-
Shown also in this figure is the quality index IQ-EX based on mately 80%–100%. This range is consistent with the conclusions
experimental results 关Eq. 共17a兲兴. Again, the suggested quality in- drawn by Sreedhar and Stern 关22兴. When we used the 3% grid
dex is in good agreement with those obtained using the experi- stretching in the transverse direction, the LES index increased by
ments. It is noteworthy to observe that the coarse-grid indices near about 10% from 0.8 to 0.9. This shows that whenever possible,
the wall indicate less than 50%resolution, which is not surprising local grid refinement parameter should be used in calculation of
for wall boundary layers. LESគIQ.
For case 4, two calculations with 65⫻ 49⫻ 109 grids 共case 4.1兲, The application of the quality index, LESគIQ, is also done for
and with 97⫻ 65⫻ 129 grids 共case 4.2兲 are studied and in all these two more not as well resolved LES cases, case 5, namely the LES
simulations, the mesh size is taken to be uniform in all three of the flow in the wake of a ship cruising on a straight track and
directions; however, the actual grid was nonuniform in the trans- that of a ship cruising on a circular track 关29,30,21兴. For brevity,
verse direction 关22兴. The dimensions of the calculation box are we show here only the results from a ship cruising on a straight
共2 / ␣兲␦ in the streamwise direction, 40␦ in the transverse wall track. These studies examined the dynamics of turbulent flow in
normal direction, and 20␦ in the spanwise direction, where ␦ is the the wake of a surface ship using the LES technique with a three-
reference length and ␣ is the wave number of the linear stability dimensional incompressible Navier–Stokes solver, using nonor-
wave explained briefly in Sreedhar and Stern 关22兴. The turbulent thogonal curvilinear coordinates. The LES technique has been ap-
kinetic energy profiles are shown in Fig. 6共a兲. This case is used to plied throughout these studies in conjunction with a new random
illustrate the sensitivity of LESគIQ on variation of grid size, h, in flow generation 共RFG兲 technique originally developed at West
5 Conclusions
Various indices to measure the quality of resolution measures
for large-eddy simulations have been formulated and the underly-
ing rationale is elucidated. The formulation given by Eq. 共9兲 关or
Eq. 共18兲兴 targets specifically those applications where the filter
length and the mesh size are directly proportional to each other,
and the numerical dissipation and subgrid scale contribution to
dissipation of energy are both functions of mesh size. In such
applications, Richardson extrapolation can be used to estimate the
effective subgrid turbulent kinetic energy, including the contribu-
tions from both the modeling and discretization, hence leading to
an estimate of the apparent total kinetic energy. The proposed
index is a measure of the percentage of the resolved turbulent
kinetic energy to the total. Equation 共9兲 关or Eq. 共18兲兴 is recom-
mended for those cases where h ⬵ ⌬ and the order of accuracy of
the numerical scheme is approximately the same as that order
implied of SGS modeling. On the other hand, for ⌬ ⬎ h, LESគIQ
Fig. 9 „a… Resolved turbulence kinetic energy decay versus
time for ⌬ / h = 2; „b… Calculated LESᠪIQ †Eq. „20…‡ and IQᠪDNS
formulation should be modified such that the effective subgrid
†Eq. „17…‡. A curve fit to the turbulent kinetic energy data from turbulent kinetic energy is a function of both the filter width and
Geurts and Froehlich „2001… †18‡ was used in our analysis. the mesh size. Then, Eq. 共20兲 should be used assuming that p
= min共p , q兲. In situations where the values of p or q are not
known, it is recommended that p = q = 2 be used. This recommen-
for this case. Although the index indicates a good LES when dation is based on the assumption that, on one hand, the numerical
fine-grid distributions are used, it appears that the order of the schemes used for LES must at least be second order both in time
monotonic scheme used by Badeau and Celik 关32兴 reduces in the and space discretization, and on the other hand the quality or
case of a coarse grid due to the use of the power-law scheme. uncertainty measures should have some degree of conservatism. If
When this is taken into account by letting p = 1.0 the LESគIQ and more conservatism is desired the coarse-grid index rather than the
IQគEX agree quite well. fine-grid index can be used, or the fine-grid index can be used
with p = 1.0. We believe that the suggested quality index can be
Influence of Filter Size versus Grid Size. Geurts and Froe- applied everywhere in the calculation domain, preferably using a
hlich 关18兴 simulated turbulent flow in a mixing layer. DNS results local mesh size for LES with wall resolution; for LES with wall
with uniform grids that consisted of 1923 nodes and LES results functions it should be applied away from the walls.
with grids that consisted of 323, 483, 643, 963 nodes were re- Applications of the proposed quality index to a range of case
ported. The formal accuracy is second order in time, fourth order studies from the literature and comparison with DNS and experi-
in space for convective terms, and second order for viscous and ments show that newly proposed LESគIQ is a good indicator of
subgrid fluxes. The original study was completed for four cases the resolution quality in LES. When possible, the proposed index
with ⌬ / h = 1 , 2 , 3 , 4. However, grid convergence is not monotonic of quality should be supplemented by providing additional infor-
for the case ⌬ / h = 1. We calculated LESគIQ values for two cases mation on relative mesh size 关e.g., Eq. 共7兲兴, and relative magni-
with ⌬ / h = 2 , 4. The resolved kinetic energy profiles for these two tude of the subgrid viscosity 关e.g., Eq. 共8兲兴 along with spectral
cases are shown in Fig. 9共a兲 for a range of ⌬ / h = r values along information on resolved turbulent kinetic energy in frequency and
with the DNS results. wave number domains.
The four sets of kinetic energy values from cases with ⌬ / h The reader must be warned against a misconception that “good
= 2 , 4 are used to calculate the values of p, q, a, and b described in grid resolution indicates a good model or a good accuracy!” The
Sec. 3. The order of the SGS contribution, q, is calculated to be proposed LESគIQ is an indication of sufficient grid resolution so
approximately 2. This seems to be consistent with the general that the calculations can qualify as LES, and that the SGS model
observation that the Smagorinsky model introduces a second- reveals its characteristics. In this regard LESគIQ should be con-
vt + vnum = 1.12Cs2 冉冊 ⌬
L
4/3
L共kres兲1/2 + ch共knum兲1/2 共A7兲
correctly. This in effect will lead to inaccurate mean pressure gra-
dient in the streamwise direction, which in turn, may lead to
wrong strain rates that are used in SGS model. Then, the dissipa-
Also, Cs = 0.17, h ⬵ ⌬, c ⬵ 0.55, L / ⌬ ⬵ 14.5, and knum / kres tion rate could be underpredicted, thus polluting the overall re-
⬵ 0.125 共i.e., numerical dissipation contributes 50% of the unre- sults. Also, when the grid is insufficient to resolve the near-wall
solved energy budget; this is an intuitive approximation for a rea- energy carrying eddies, streaks, hairpins etc., an overshoot in tur-
sonably good quality LES兲; it follows that bulent kinetic energy may occur. As noted by Pope 共2000 关11兴兲,