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Combustion
Supported by
Division of Chemical Sciences, Geosciences, and Biosciences,
Office of Basic Energy Sciences, and DOE SciDAC
Layering Large Eddy Simulation Vorticity fields in DNS of a turbulent jet flame
and DNS approaches. (volume rendering by
Kwan-Liu Ma and Hiroshi Akiba)
Turbulent combustion is a grand challenge!
O(4)
Range Small-scale mixing of eddies: 0.1 10 mm
Diffusive-scales, flame thickness: 10 100 m
O(4)
Molecular interactions, chemical reactions: 1 10 nm
Terascale computing:
~3 decades in scales
(cold flow)
Combustion CFD Approaches to tackle
different length scale ranges
Oxidizer
A tool for fundamental studies of the micro-
physics of turbulent reacting flows Fuel
CH4
Physical insight into chemistry HO2
Objectives:
Air
Mixing,
Reaction
Fuel x
y
Mixing,
Reaction
Air
Heat release iso-contours
DNS data-sets of turbulent nonpremixed
H2/CO flames (mixing, extinction/reignition)
New opportunities for numerical benchmarks highly resolved LES and DNS
Mixture fraction Z: the amount of fluid from the fuel stream in the
mixture
2 D Z Z
Example development of the jet:
40 million grid PNNL run
Left: Vorticity. Right: Simultaneous volume rendering of mixture
fraction, scalar dissipation and OH radical.
(Rendering by Hiroshi Akiba and Kwan-Liu Ma, UC Davis)
100 million grid run on
NERSC Seaborg and ORNL Cray X1: Re = 8000
k
Mechanical time-scale: u
' 2
Scalar time-scale:
2 D
Time-scale ratio: u
r
r is assumed to be order unity in most models
r is assumed to be the same for all scalars
Mixture fraction to mechanical timescale
ratio
Increasing
diffusivity
r
Smaller, more highly
diffusive species do
have faster mixing
timescales
Finite-rate chemistry effects on mixing
r
HO2 and H2O2 have faster
mixing times in the middle
of the simulation, while
OH and O are lower
HO2 OH
We need to establish
any Re dependence
Need parametrics at
larger Re
Run in progress
but seems to be
showing same effects
Conclusions - mixing timescales
Joseph C. Oefelein,
Evatt R. Hawkes, Jacqueline H. Chen
RANS-LES-DNS at High Re
Swirl-Stabilized Premixed Combustion
Azimuthal Velocity Component
High Re is too
expensive for DNS
(at present)
can afford 1000s now
useful but
would like 100000s
and more
Why LES?
Moderate Re:
High Re Canonical problems
LES DNS
Experiments Cleverly designed
experiments
Sub-grid models
Applications
Multiphysics capabilities and
algorithmic framework Oefelein
Numerical framework
Dual-time, all-Mach-number formulation
Generalized preconditioning methodology
Complex geometry, generalized coordinates
Massively-parallel (MPI), highly-scalable
Ported to all major platforms
DNS LES
(all scales) (large scales)
40 million grid, 120,000 hours 0.6 million grid, 600 hours
Summary