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CIS/ME 794Y A Case Study in Computational Science & Engineering
A Case Study in Computational Science & Engineering:
Supersonic flow of ionized gas through a nozzle
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Course Objectives• To provide insight and understanding of issues and
difficulties in computational modeling through a quarter-long case-study.
• Evaluate relative merits of various methods using programs you have written and pre-developed software modules.
• To understand the differences in performance when computations are done serially versus in parallel.
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Introduction to Case Study• Many engineering applications and processes involve reacting
and plasma flows.
• Some important examples:
– plasma processes in manufacturing of integrated circuits (etching, deposition)
– manufacturing processes (welding, coatings, synthesis of novel materials)
– space propulsion (positioning and station-keeping of satellites)
– Gas lasers, wind-tunnel test facilities, nozzles/shock tubes for studying chemistry
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Manufacturing of Semiconductor Devices
A trench 0.2 m wide by 4 m deep in single-crystal Si, produced by plasma etching (from Lieberman & Lichtenberg)
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Diamond deposition using a plasma arcjet
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Diamond growth on silicon using an oxy-acetylene flame
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CIS/ME 794Y A Case Study in Computational Science & Engineering
• There are numerous examples of reacting flows in industrial applications:
– Energy generation & conversion: combustion processes
– Automotive engines
– Gas Turbine engines
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Motivation for modeling
• Gives detailed insight and basic understanding into the problem
• Helpful for design, control and optimization; can identify improved geometries for reactors, scale-up, etc.
• Availability of detailed experimental measurements enable in-depth understanding of cause-effect relationships (important for process control).
• Helpful in interpreting system or sensor response (e.g.. Ionization probe), and experimental data
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Existing modeling tools• “Canned” programs exist:
– Fluent, Fidap, StarCD, Chemkin, etc.
• Why write one’s own code?– greater flexibility
– speed (canned codes trade off speed for user-friendliness), and most importantly
– ability to model additional phenomena
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CIS/ME 794Y A Case Study in Computational Science & Engineering
• This quarter’s case study will focus on an illustrative example involving a supersonic flow in a nozzle with ionization & recombination processes.
• This case study is intended to help bring out issues related computational modeling of a prototypical engineering problem, using high-performance computing methods.
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CIS/ME 794Y A Case Study in Computational Science & Engineering
OSU supersonic afterglow wind-tunnel
Supersonic afterglow of Nitrogen over a wedge
Supersonic afterglow of Helium over a wedge
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Case Study Problem• Argon gas flows through a converging-diverging channel of
known cross sectional area
• Given:
– upstream total pressure, total temperature, and channel geometry
– desire supersonic flow in the diverging portion of the channel
• Find:
– distributions of velocity, density, pressure, temperature, Mach number, electron density, and ionization fraction throughout the channel, at steady state/transient state.
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Case Study Problem
Argon gas flow
2A
A
throat
inlet 4
A
A
throat
exit
Po=1 atmTo=300 K
L = 1 m
Adiabatic walls, i.e. no heat flow
CONVERGING-DIVERGINGOR CD NOZZLE Zone of heat
addition
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Background• Flow of a gas at high speeds such as in CD
nozzles, is characterized by changing density, .
• the mass density, , of a gas can change due to temperature changes or pressure changes. When changes because of pressure changes, the flow is called a compressible flow.
• To illustrate some of the basic characteristics of such a flow through a varying area channel, we begin by with a quasi one-dimensional (quasi 1-D) model of steady flow
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Quasi 1-D steady flow• Quasi 1-D that flow varies in the streamwise,
i.e. flow direction only, and transverse variations are ignored.
• Steady , i.e., no time variation.
• Governing equations, i.e. rules that govern such a flow are conservation of mass (or continuity), conservation of linear momentum, conservation of energy and species number density.
0t
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Governing equations for quasi 1-D flow
dx
(x)
ni(x)
P(x)
T(x)
u(x)
A(x)
(x+dx)
ni(x+dx)
P(x+dx)
T(x+dx)
u(x+dx)
A(x+dx)x x+dx
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Conservation of mass
0uAxA
1
t
or
Adxt
dxuAx
uA
Adxt
uAuA
or
mmm
x
dxxx
storedoutin
At steady state, we have ttanconsmuA
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Conservation of momentum
x
PAu
xA
1u
t2
Conservation of energy
QuAP2
uT
1
R
xA
1
2
uT
1
R
t
22
Species conservation (electrons) 3
erAefeee nknnknuAn
xA
1
t
n
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Equation of State
RTP
Definition of Density AnenAmAnAmeneminim
Unknowns:, u, P, T, ne, and nA
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Governing equations for quasi 1-D steady flow
ttanconsmuA
0dx
duu
dx
dP
3eAefee nrknnknuAn
dxd
A1
RTP
AnenAm
Q2
uT
1
R
xu
2
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Governing equations for quasi 1-D, steady, adiabatic, frictionless, compositionally frozen
flow
ttancons2
u1
RT 2
ttanconsmuA
0dx
duu
dx
dP
0uAndxd
e
RTP
AnenAm
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Choking condition• The foregoing equations can be combined to yield:
where M=u/(RT)1/2 is the Mach number based on the isentropic speed of sound
• Note that when M=1, dA/dx must be zero in order for there to be smooth acceleration through M=1.
• Further, for M<1, du/dx>0 for dA/dx<0• Similarly, for M>1, du/dx>0 for dA/dx>0
1M
dx
dA
A
1
dx
du
u
12
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CIS/ME 794Y A Case Study in Computational Science & Engineering
Implications of the choking condition
• Subsonic nozzles are supersonic diffusers:
• Subsonic diffusers are supersonic nozzles:
M < 1Flow
accelerates M > 1Flow
decelerates
M < 1 Flowdecelerates
M > 1Flow
accelerates