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Microwave plasma modeling with COMSOL MULTIPHYSICS

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 Excerpt from the Proceedings of the COMSOL Users Conference 2007 Grenoble

Microwave plasma modeling with COMSOL MULTIPHYSICS

O. Geoffroy*, H. Rouch,
INOPRO
Telespace Vercors - 118, chemin des Breux – F-38250 Villard de Lans
* [email protected]

Abstract: A microwave plasma simulation has (§3) and then the physical and chemical
been tested, and will be fitted and validated. Two assumption for Hydrogen and Oxygen plasma,
types of assumptions were compared: in the first and then our results for these two cases (§4).
approach the plasma density depends directly
from the electric field and some characteristic 2. Methodology
values of it; in the second approach plasma
density and temperature conservation equations Our general methodology to study real
are solved. The last one was used for Nitrogen industrial equipments involving complex
plasma. In case of SF6 and H2O plasma physical and chemical phenomenon consist of
simulation quite simple kinetics models will be mixing “predictive” simulations and experience
used, and fitted by comparison with plan with experimental comparison. But doing
experimental observations. The last part of this simulation with unreliable data induce bad
work is under progress. precision. That's why a great research effort to
characterize physical and kinetics data is an
Keywords: plasma, process, industrial important goal. Unfortunately industry usually
applications. don't want to pay it because of the too long
return on investment. In the other hand the usual
1. Introduction experience plan are specific to each process and
doesn't include enough science knowledge.
One of the most interesting simulation objective Because simulation is at the corner between
is to give predictive results showing geometrical these two job (research and industrial
or scale effects for industrial processes. This is development), we propose to mix both. So we
commonly done taking in account neutral and use all available models to simulate real
non reactive CFD. This is also quite common but equipment even if some data are missing. For
with less precision in combustion fields. This is these data we plan experimental comparisons to
also possible taking in account reactive effects settle open parameters of the specific model. Of
even in case of lacking data [1], for example for course the chosen model should not include too
MOCVD processes. In case of a research work, many uncertain parameters. This methodology
the main objective is usually to validate a kinetic has to be adapted to the industrial goal to give a
model by comparison of simulation results with good return on investment: that's why
measurable experimental data. This is usually “predictive” is between comma at the beginning
done for research reactor with simple geometry of this chapter. The precision and the predictive
and by direct comparison of the unknown, for ability of simulations are themselves parameter
example gas composition or electronic density in of the project.
case of plasma. We often Work on industrial
application so we have to simulate real geometry The presented study is the first part of the
and have no access to direct comparison but may application of this methodology to plasma
validate the model by indirect comparison: processes. In the case of neutral chemistry the
growth rate, light emission for example. The conservative equations and their boundary
main reason is the objectives we address which conditions are well known and have not to be
are usually not the physical processes knowledge adapted. The work is only on kinetics models
(typically a research objective) but to improve which depend on expected precision and data
productivity by studying all is “around” the which may be adapted from bibliography. In the
process. plasma case, the physics itself is more complex
and some choices have to be done on the
The proposed methodology (§2) follow this conservation equation themselves. In this study
industrial goal and is apply to microwave plasma we tested two possibilities for microwave plasma
processes. After a description of the whole simulation corresponding to different
methodology, the solved equation are presented simplification level.
 Excerpt from the Proceedings of the COMSOL Users Conference 2007 Grenoble

The next step will be to use these models to and temperature. The thermal equation are linked
simulate more complex chemistries, after with the plasma model, in order to compute
choosing and adapting simplified kinetic models. Joule heating in the reactor with:
Of course the interpretation of the results may
be an hard challenge, but at this stage we have to 1 2
include an experience plan methodology in the Q=  E
project, and the comparison with experimental 2
results will be helpful. Even electron density
measurements are difficult, so we plan to use The electromagnetic equation also relie on
relative data from more simple measurement to plasma model from its conductivity and
settle and validate the kinetic models. permittivity, which are:
2 2
3. Models  0 .pe .eN  0 .pe .
= 2 2
i. 2 2
3.1 Geometry eN  eN 
and
2 2
As mentioned in introduction the goal of this pe pe .eN
study is to validate the feasibility of microwave r =1− 2 2
i. 2 2
plasma modeling in a powerful way for eN eN  
industrial applications. The simulated geometry
are very simple. where w are the excitation frequency, and Ven
the electron-neutre collision frequency estimated
The presented results for hydrogen were with the Bohm velocity.
calculated on the same geometry than Funer [3].
3. Plasma Models
The presented results for nitrogen plasma
correspond to simple geometry (figure 1). From Two kind of models were used:
bottom to top of the figure 1 we can see the – A simple model from Füner, which relies
coaxial connection, the antenna zone, the plasma only on the electromagnetic field to estimate
zone, the gas inlet and pumping. the electron density.

inlet pumping ∇ −De ∇ n e = .E−E M n emin

where EM is the necessary field for maintaining a

discharge, and gamma has to be set by adjusting
the modeling results to experimental
observations.

– A more common model based on

Maxwellian distribution, with the hypothesis
of drift-diffusion for the electronic density
antenna and temperature.

For the electronic density, we use:

Coaxial ∂ ne  J S
=− ∇ e e
∂t
Figure 1. Axi symmetrical geometry used for plasma where the electron flux is
simulation. Axis is on the left, plasma inlet and
J =−n   
pumping are on top boundary, e e e E−De ∇ n e
and the source term is:
3.2 general Models

Since the data relies on neutral density and S e =∑ij ne . nnj . K ij

temperature, we used a set of laminar Navier-
Stokes and thermal equation for neutral velocity depending on the chemical reaction involved.
 Excerpt from the Proceedings of the COMSOL Users Conference 2007 Grenoble

For convenience, we used the ambipolar Dirichlet conditions have show better stability
diffusion approach, which neglect the convective for convergence.
term:
For the electronic temperature, Te was
∂ ne assumed to be constant at 0.5 eV, except on the
=S e ∇ Da ∇ n e  axis where Neumann conditions are used.
∂t
For electromagnetic field, perfect electric
We make some simplification in the energy conductor where assumed everywhere, except
continuum equation, in order to solve: for the power inlet, where port condition are
used.
∂ 3
 
n K T ∇⋅Qe =P Joule−Pcoll
∂t 2 e B e 4. Results

4.1 Hydrogen plasma simulated by Funer

where the total energy flux is: model

5 5

Qe = k B T e J e − k B D e n e ∇ T e
2 2  Here are presented the results of the model
describe by Funer et al. [3] for Hydrogen plasma.
The electric field (figure 2) and electron density
(figure 3) are very similar to Funer results.
with the Joule term source:

P Joule=q e J e⋅E

and the loss term:

me
P coll =n e .n n . ∑ H j K j −3 k T  n
mn B e n e

The loss term need some data of the involved

chemical reaction. The last term correspond to
elastic collision and is negligible for Hydrogen
plasma [3]. The results we present for Hydrogen
use this assumption. The simulation for Oxygen
and Nitrogen were done with this term, but we
still have some convergence problem. then the
presented results were obtain for an assumed
electronic temperature field.

3.4 Properties

The plate between antenna and plasma cavity

is made of quartz, and we simulate a cupper
antenna.
The gaseous properties are from kinetic
theory of gases [1], and the kinetics models for
Hydrogen, Oxygen and Nitrogen from
bibliography [2-7].

3.5 Boundary Conditions

Figure 2. Electric field at 5kW.
For the electronic density, Dirichlet condition
where used in the plasma domain on dielectric, The advantage of this model is the good
and Neumann on the axis boundary. Some flux convergence ability. One disadvantaged is the
condition were tested on metal boundary, but
 Excerpt from the Proceedings of the COMSOL Users Conference 2007 Grenoble

sensibility to the gamma parameter. All the adapted to nitrogen. The velocity and neutral
chemistry is “in” this parameter, then this temperature field are firstly presented on figure 4
approach is difficult to use for more complex and 5. They are very similar for both the cases
chemistry. presented below.

Figure 3. Electronic density in plasma cavity at 5kW.

4.2 Model comparison for Nitrogen

plasma Figure 5. Neutral temperature field (K) for both
models

Figure 4. Velocity field (m/s) for both models

Figure 6. Electric field (V/m)

In the case of Nitrogen plasma we compare

results from an am bipolar model with the results
Same remark can be done for the electric
obtain by simulation with the Funer model
field presented on figure 6.
 Excerpt from the Proceedings of the COMSOL Users Conference 2007 Grenoble

parameters of Funer model. An evident

In the case of ambipolar model we still have conclusion is that all results are possible by using
some convergence problem due to energy settling method on simple models. But another
equation, then we present results obtain with the conclusion may be that this simple model may be
assumed electronic temperature field of figure 7. use as an engineering tool despite it is
uninteresting for research.

Figure 7. Assumed electronic temperature field for Figure 9. Electronic density from Funer model
ambipolar model simulation simulation for nitrogen plasma

5. Conclusions

Our results show that simulation of

microwave plasma are possible in a reasonable
time. This may be apply in the same way on real
geometries. In the case of the ambipolar model,
the convergence is very sensitive to detail kinetic
data, then the use of such model in 3D may be
done carefully after a validation of the kinetic
data and test of the convergence in 2D.

Next step will be to apply this methodology

to more complex chemistry, and validate
simplified kinetic model derived from
bibliography by comparisons with
measurements.

8. References

1. H. Rouch, MOCVD Research Reactor

Figure 8. Electronic density from ambipolar model simulation, Comsol Conference 2006
simulation for nitrogen plasma 2. P. Rummel, and T.A. Grotjohn, “Method for
modeling microwave plasma system stability”, J.
The electronic density obtain by ambipolar Vac. Sci. Technol., A 20(2), March / april (2002)
model (figure 8) and Funer model (figure 9) are 3. M. Füner, C. Wild, P. Koidl, “Simulation and
similar, but this is the results of the settling of the development of optimized microwave plasma
 Excerpt from the Proceedings of the COMSOL Users Conference 2007 Grenoble

reactors for diamond deposition”, Surface and

Coatings Technology 116-119 (1999) 853-862
4. A.M. Gorbachev, V.A. Koldanov, A.L.
Vikharev, “Numerical modeling of a microwave
plasma CVD reactor”, Diamond and Related
Materials 10 (2001) 342-346
5. P. Mahalingam, D.S. Dandy, “A plasma
discharge model of a microwave plasma
diamond CVD reactor”, Dept. of Chemical
Engineering (1999)
6. L. Latrasse, PhD thesis, “Conception,
caractérisation et applications des plasma micro-
onde en configuration matricielle” (2006)

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