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Alpha to Gamma Transition
Introduction
Capacitively coupled RF discharges can operate in two distinct regimes depending on the discharge power. In the low power regime, known as the α regime, the electric field oscillations heats and creates electrons. In the high power regime, known as γ regime, the discharge is sustained primarily by electron avalanche within the plasma sheath. This is initiated by secondary electrons emitted due to ion bombardment of the electrodes.
The two regimes present fundamental differences that can have an important impact in plasma applications. In the following, results are presented for the electron creation and power absorbed by the electrons that illustrate the main features of the two regimes.
The reader can found more information about this subject in Ref. 1 and in the references therein.
Model Definition
The model presented here is based on the one reported in Ref. 1 and simulates an atmospheric pressure argon plasma sustained by a periodic electric excitation at 13.56 MHz. The model is 1-dimensional and describes the space- and time-periodic evolution of several macroscopic properties of the plasma sustained within a 2 mm gap.
The electron mobility and other electron transport properties are automatically computed from the electron impact reactions. For the ions, the mobility is given as a function of the reduced electric field using a lookup table. The ion diffusivity is obtained from the Einstein relation where the ion temperature comes from a local field approximation. It is assumed that the molecular ion has the same mobility as the atomic ion.
Electric excitation
The driven electrode has a fixed power. This corresponds to the following expression and constraint on the electric potential:
(1)
(2).
The constraint in Equation 2 is used to compute the RF potential, Va such that a fixed amount of power is deposited into the plasma.
plasma chemistry
Argon plasmas have one of the simplest reactions schemes. The electronically excited states can be lumped into single states. At atmospheric pressure and low gas temperature three–body reactions are important and lead to the creation of dimers. We use a simplified plasma chemistry similar to the one in Ref. 1 that comprises 9 volumetric reactions involving electrons (electron impact cross-section are obtained from Ref. 2), atomic and molecular ions, and a lumped level representing the argon 4s.
In addition to volumetric reactions, the following surface reactions are implemented:
When excited states make contact with the wall, they revert to the ground state argon atom with some probability. The ions use their internal energy to extract one electron from the wall with a probability of 0.1 and a mean energy of 5.8 V. For the ions, the sticking coefficient is zero, meaning that losses to the wall are assumed to be due to migration only.
Results and Discussion
The temporal evolution of the one-dimensional electron density is conveniently represented by extruding the solution into two dimensions. The extra dimension represents the period fraction. In COMSOL Multiphysics this is accomplished by adding a Parametric Extrusion 1D dataset.
Figure 1and Figure 2 present, for the α regime, the spatial distribution of the electron number density and electron temperature (along the horizontal axis) extruded in time for one period of the external excitation along the vertical axis. These results show that this discharge is similar to lower pressure RF capacitively coupled discharges. The electron density is static in time in the discharge center. However, near the wall the electron density evolves in time driven by the applied time–varying electric field. The electron temperature near the wall is also strongly time modulated attaining peak electron temperatures of 3.5 eV. In the plasma bulk the electron temperature is much cooler than near the walls and is much less modulated since the electric field is much less intense than in the sheaths.
Figure 3 shows the power absorbed by the plasma and the averaged electron density as a function of the voltage amplitude. It is possible to identify two regions: (i) a low power region, corresponding to the α regime, where larger voltages amplitudes are needed to increase the power absorbed by the discharge; (ii) and a high power region, corresponding to the γ regime, where high discharge powers are attained for progressively lower voltages amplitudes. The electron density always increases with the applied voltage, however, it increases at a faster rate in the γ regime.
The different mechanisms for electron heating and electron creation for both the α and γ regimes are shown in Figure 4 through Figure 7. Figure 4 and Figure 5 show the power absorbed by the electrons. Figure 6 and Figure 7 show the electron production rate. The white line marks a region of constant charge density that roughly corresponds to the plasma-sheath transition. In the α regime a great part of the absorbed power and most of electron creation is localized along the plasma-sheath transition with the peak values occurring during the sheath expansion. In the γ regime the majority of the absorbed power and ionization occur at the sheath maximum expansion.
Figure 1: Electron number density spatial and time evolution in the α regime (100 W).
Figure 2: Electron temperature spatial and time evolution in the α regime (100 W).
Figure 3: Power absorbed by the plasma and average electron density as a function of the source voltage amplitude.
Figure 4: Power absorbed by the electrons in the α regime (100 W). The white line is a counter of constant charge density (0.01 C/m3) that roughly represents the boundary between plasma and sheath.
Figure 5: Power absorbed by the electrons in the γ regime (630 W). The white line is a counter of constant charge density (0.01 C/m3) that roughly represents the boundary between plasma and sheath.
Figure 6: Electron creation rate in the α regime (100 W). The white line is a counter of constant charge density (0.01 C/m3) that roughly represents the boundary between plasma and sheath.
Figure 7: Electron creation rate in the γ regime (630 W). The white line is a counter of constant charge density (0.01 C/m3) that roughly represents the boundary between plasma and sheath.
References
1. N Balcon, G.J.M. Hagelaar, and J.P. Boeuf, “Numerical model of an argon atmospheric pressure RF discharge”, IEEE Trans. Plasma Sci., vol. 36, p. 2782 (6pp), 2008.
2. Phelps database, www.lxcat.net, retrieved on 2017.
3. M.A. Lieberman and A.J. Lichtenberg, Principles of Plasma Discharges and Materials Processing, John Wiley & Sons, 2005.
Application Library path: Plasma_Module/Capacitively_Coupled_Plasmas/alpha_to_gamma_transition
Modeling Instructions
In the following are the instructions to create a 1D model of a RF capacitively coupled plasma that is used to demonstrate the α to γ transition in an argon discharge. The transition is represented in the form of absorbed power as a function of applied voltage. To obtain such plot, a Time Periodic study is performed where power is swept from 50 to 700 W. After that study, two Time Periodic to Time Dependent studies are performed to convert the periodic steady-state solutions from two different powers (from the first study) to the time domain. The conversion to the time domain is necessary in order to create surface plots representing the spatial and time variation of different quantities.
From the File menu, choose New.
New
In the New window, click  Model Wizard.
Model Wizard
1
In the Model Wizard window, Select the Plasma, Time Periodic (ptp) interface and the Time Periodic study to compute the periodic steady state solution of the plasma.
2
3
In the Select Physics tree, select Plasma>Plasma, Time Periodic (ptp).
4
Click Add.
5
Click  Study.
6
In the Select Study tree, select Preset Studies for Selected Physics Interfaces>Time Periodic.
7
Geometry 1
Create the 2 mm gap where the plasma is sustained.
1
In the Model Builder window, under Component 1 (comp1) click Geometry 1.
2
In the Settings window for Geometry, locate the Units section.
3
From the Length unit list, choose mm.
Interval 1 (i1)
1
In the Model Builder window, expand the Geometry 1 node.
2
Right-click Component 1 (comp1)>Geometry 1 and choose Interval.
3
In the Settings window for Interval, locate the Interval section.
4
Add some parameters for the power and excitation frequency.
Global Definitions
Parameters 1
1
In the Model Builder window, under Global Definitions click Parameters 1.
2
In the Settings window for Parameters, locate the Parameters section.
3
Add a nonlocal average coupling to compute the average electron density in postprocessing.
Definitions (comp1)
Average 1 (aveop1)
1
In the Definitions toolbar, click  Nonlocal Couplings and choose Average.
2
In the Settings window for Average, locate the Source Selection section.
3
From the Selection list, choose All domains.
Set the area perpendicular to the solved dimension and set the period and the number of elements in the extra dimension.
Plasma, Time Periodic (ptp)
1
In the Model Builder window, under Component 1 (comp1) click Plasma, Time Periodic (ptp).
2
In the Settings window for Plasma, Time Periodic, locate the Cross-Section Area section.
3
In the A text field, type 80[cm^2].
4
Locate the Extra Dimension Settings section. In the Pxd text field, type 1/f0.
5
In the N text field, type 30.
Set the temperature and use the default pressure of 1 atm for the background gas. The electron mobility and other transport parameters are by default to automatically computed from the set of electron impact reactions.
Plasma Model 1
1
In the Model Builder window, under Component 1 (comp1)>Plasma, Time Periodic (ptp) click Plasma Model 1.
2
In the Settings window for Plasma Model, locate the Model Inputs section.
3
In the T text field, type 300[K].
Initial Values 1
1
In the Model Builder window, click Initial Values 1.
2
In the Settings window for Initial Values, locate the Initial Values section.
3
In the ne,0 text field, type 1E15[1/m^3].
4
In the ε0 text field, type 2[V].
Import cross section data for argon.
Cross Section Import 1
1
In the Physics toolbar, click  Global and choose Cross Section Import.
2
In the Settings window for Cross Section Import, locate the Cross Section Import section.
3
Click  Browse.
4
5
Click  Import.
Add other reactions to complete the plasma chemistry.
Electron Impact Reaction 6
1
In the Physics toolbar, click  Domains and choose Electron Impact Reaction.
2
In the Settings window for Electron Impact Reaction, locate the Reaction Formula section.
3
In the Formula text field, type e+Ar2+=>Ars+Ar.
4
Locate the Collision Type section. From the Collision type list, choose Excitation.
5
In the Δε text field, type -2.5[V].
6
Locate the Reaction Parameters section. In the kf text field, type 7e-13[m^3/s]*N_A_const*(300/(ptp.Te*11600))^0.5.
Reaction 1
1
In the Physics toolbar, click  Domains and choose Reaction.
2
In the Settings window for Reaction, locate the Reaction Formula section.
3
In the Formula text field, type Ars+Ars=>e+Ar+Ar+.
4
Locate the Reaction Parameters section. In the kf text field, type 1.2e-15[m^3/s]*N_A_const.
Reaction 2
1
In the Physics toolbar, click  Domains and choose Reaction.
2
In the Settings window for Reaction, locate the Reaction Formula section.
3
In the Formula text field, type Ars=>Ar.
4
Locate the Reaction Parameters section. In the kf text field, type 5e5.
Reaction 3
1
In the Physics toolbar, click  Domains and choose Reaction.
2
In the Settings window for Reaction, locate the Reaction Formula section.
3
In the Formula text field, type Ar+Ar+Ar+=>Ar2++Ar.
4
Locate the Reaction Parameters section. In the kf text field, type 2.5e-43[m^6/s]*N_A_const^2.
Species: Ar
1
In the Model Builder window, click Species: Ar.
2
In the Settings window for Species, locate the Species Formula section.
3
Select the From mass constraint check box.
4
Locate the General Parameters section. From the Preset species data list, choose Ar.
Species: Ars
1
In the Model Builder window, click Species: Ars.
2
In the Settings window for Species, locate the General Parameters section.
3
From the Preset species data list, choose Ar.
The electric fields generated will be rather high in the sheath, so use the local field approximation for the ion temperature, and a lookup table for the ion mobility.
Species: Ar+
1
In the Model Builder window, click Species: Ar+.
2
In the Settings window for Species, locate the General Parameters section.
3
From the Preset species data list, choose Ar.
4
Locate the Mobility and Diffusivity Expressions section. From the Specification list, choose Specify mobility, compute diffusivity.
5
From the Ion temperature list, choose Use local field approximation.
6
Locate the Mobility Specification section. From the Specify using list, choose Argon ion in argon.
The mobility of the molecular ion is assumed equal to the atomic ion for simplicity.
Species: Ar2+
1
In the Model Builder window, click Species: Ar2+.
2
In the Settings window for Species, locate the Species Formula section.
3
Select the Initial value from electroneutrality constraint check box.
4
Locate the General Parameters section. In the Mw text field, type 0.08[kg/mol].
5
Locate the Mobility and Diffusivity Expressions section. From the Specification list, choose Specify mobility, compute diffusivity.
6
From the Ion temperature list, choose Use local field approximation.
7
Locate the Mobility Specification section. From the Specify using list, choose Argon ion in argon.
Define surface losses for ions and argon excited state. For the ions, set the Forward sticking coefficient to zero to assume that ion losses are due to migration only, and set the Secondary emission coefficient to 0.1 to match the work that it is being followed.
Surface Reaction 1
1
In the Physics toolbar, click  Boundaries and choose Surface Reaction.
2
In the Settings window for Surface Reaction, locate the Reaction Formula section.
3
In the Formula text field, type Ar+=>Ar.
4
Locate the Boundary Selection section. From the Selection list, choose All boundaries.
5
Locate the Reaction Parameters section. In the γf text field, type 0.
6
Locate the Secondary Emission Parameters section. In the γi text field, type 0.1.
2: Ar+=>Ar
1
Right-click 1: Ar+=>Ar and choose Duplicate.
2
In the Settings window for Surface Reaction, locate the Reaction Formula section.
3
In the Formula text field, type Ar2+=>2Ar.
3: Ar2+=>2Ar
1
Right-click 2: Ar2+=>2Ar and choose Duplicate.
2
In the Settings window for Surface Reaction, locate the Reaction Formula section.
3
In the Formula text field, type Ars=>Ar.
4
Locate the Secondary Emission Parameters section. In the γi text field, type 0.
5
In the εi text field, type 0.
6
Locate the Reaction Parameters section. In the γf text field, type 1.
Wall 1
1
In the Physics toolbar, click  Boundaries and choose Wall.
2
In the Settings window for Wall, locate the Boundary Selection section.
3
From the Selection list, choose All boundaries.
Define the electric excitation of the discharge. Set a ground and a RF power source on the boundaries.
Ground 1
1
In the Physics toolbar, click  Boundaries and choose Ground.
2
The most stable way of driving the electrode is to use a fixed power. Use the previously defined parameter Prf to set the RF power. The exact values for the power sweep are set later in the study.
Metal Contact 1
1
In the Physics toolbar, click  Boundaries and choose Metal Contact.
2
3
In the Settings window for Metal Contact, locate the Terminal section.
4
From the Source list, choose RF.
5
Locate the RF Source section. In the Prf text field, type Prf.
6
In the fp text field, type f0.
Mesh 1
Edge 1
In the Mesh toolbar, click  Edge.
Distribution 1
1
Right-click Edge 1 and choose Distribution.
2
In the Settings window for Distribution, locate the Distribution section.
3
From the Distribution type list, choose Predefined.
4
In the Number of elements text field, type 150.
5
In the Element ratio text field, type 10.
6
Select the Symmetric distribution check box.
7
Click  Build All.
Study 1
1
In the Model Builder window, click Study 1.
2
In the Settings window for Study, locate the Study Settings section.
3
Clear the Generate default plots check box.
4
Clear the Generate convergence plots check box.
Set a power sweep to observe the alpha to gamma transition in a plot of power as a function of applied voltage.
Step 1: Time Periodic
1
In the Model Builder window, under Study 1 click Step 1: Time Periodic.
2
In the Settings window for Time Periodic, click to expand the Study Extensions section.
3
Select the Auxiliary sweep check box.
4
5
6
Click  Range.
7
In the Range dialog box, choose Number of values from the Entry method list.
8
In the Start text field, type log10(50).
9
In the Stop text field, type log10(700).
10
In the Number of values text field, type 25.
11
From the Function to apply to all values list, choose exp10(x) – Exponential function (base 10).
12
Click Add.
13
In the Study toolbar, click  Get Initial Value.
Create a plot of power and average electron density as a function of the voltage amplitude.
Results
Power and ne vs. applied voltage
1
In the Home toolbar, click  Add Plot Group and choose 1D Plot Group.
2
In the Settings window for 1D Plot Group, type Power and ne vs. applied voltage in the Label text field.
Global 1
1
Right-click Power and ne vs. applied voltage and choose Global.
2
In the Settings window for Global, locate the y-Axis Data section.
3
4
Locate the x-Axis Data section. From the Parameter list, choose Expression.
5
In the Expression text field, type ptp.mct1.Va_per.
Global 2
1
Right-click Global 1 and choose Duplicate.
2
In the Settings window for Global, locate the y-Axis Data section.
3
Power and ne vs. applied voltage
1
In the Model Builder window, click Power and ne vs. applied voltage.
2
In the Settings window for 1D Plot Group, click to expand the Title section.
3
From the Title type list, choose None.
4
Locate the Plot Settings section. Select the Two y-axes check box.
5
In the table, select the Plot on secondary y-axis check box for Global 2.
6
Locate the Legend section. From the Position list, choose Upper left.
Study 1
Solver Configurations
In the Model Builder window, expand the Study 1>Solver Configurations node.
Solution 1 (sol1)
1
In the Model Builder window, expand the Study 1>Solver Configurations>Solution 1 (sol1) node.
Choose to observe the results of the plot previously created while solving.
2
In the Model Builder window, expand the Study 1>Solver Configurations>Solution 1 (sol1)>Stationary Solver 1 node, then click Fully Coupled 1.
3
In the Settings window for Fully Coupled, click to expand the Results While Solving section.
4
Select the Plot check box.
5
In the Home toolbar, click  Compute.
Results
Power and ne vs. applied voltage
So far, we have computed the periodic steady state solution only. In order to see the time-dependent behavior of the plasma, we need to convert the solution to the time domain. To do this, use the Time Periodic to Time Dependent study.
Add two Time Periodic to Time Dependent studies to represent the temporal evolution for two different powers.
Add Study
1
In the Home toolbar, click  Add Study to open the Add Study window.
2
Go to the Add Study window.
3
Find the Studies subsection. In the Select Study tree, select Preset Studies for Selected Physics Interfaces>Time Periodic to Time Dependent.
4
Click Add Study in the window toolbar.
5
In the Select Study tree, select Preset Studies for Selected Physics Interfaces>Time Periodic to Time Dependent.
6
Click Add Study in the window toolbar.
7
In the Home toolbar, click  Add Study to close the Add Study window.
Study 2
1
In the Model Builder window, click Study 2.
2
In the Settings window for Study, locate the Study Settings section.
3
Clear the Generate default plots check box.
4
Clear the Generate convergence plots check box.
The final output time should correspond to 1 RF cycle. The number of output times should typically be around 100. When computing the time periodic solution, only 30 points were used in the (hidden) time axis. When converting to the time domain, COMSOL will use linear interpolation of the solution between these points.
Step 1: Time Periodic to Time Dependent
1
In the Model Builder window, under Study 2 click Step 1: Time Periodic to Time Dependent.
2
In the Settings window for Time Periodic to Time Dependent, locate the Study Settings section.
3
Click  Range.
4
In the Range dialog box, type (1/f0)/101 in the Step text field.
5
In the Stop text field, type 1/f0.
6
Click Replace.
7
In the Settings window for Time Periodic to Time Dependent, click to expand the Values of Dependent Variables section.
8
Find the Values of variables not solved for subsection. From the Settings list, choose User controlled.
9
From the Method list, choose Solution.
10
From the Study list, choose Study 1, Time Periodic.
11
From the Parameter value (Prf (W)) list, choose From list.
12
In the Parameter value (Prf (W)) list, select 107.96 W.
13
In the Home toolbar, click  Compute.
Study 3
1
In the Model Builder window, click Study 3.
2
In the Settings window for Study, locate the Study Settings section.
3
Clear the Generate default plots check box.
4
Clear the Generate convergence plots check box.
Step 1: Time Periodic to Time Dependent
1
In the Model Builder window, under Study 3 click Step 1: Time Periodic to Time Dependent.
2
In the Settings window for Time Periodic to Time Dependent, locate the Study Settings section.
3
Click  Range.
4
In the Range dialog box, type (1/f0)/101 in the Step text field.
5
In the Stop text field, type 1/f0.
6
Click Replace.
7
In the Settings window for Time Periodic to Time Dependent, locate the Values of Dependent Variables section.
8
Find the Values of variables not solved for subsection. From the Settings list, choose User controlled.
9
From the Method list, choose Solution.
10
From the Study list, choose Study 1, Time Periodic.
11
From the Parameter value (Prf (W)) list, choose From list.
12
In the Parameter value (Prf (W)) list, select 627.11 W.
13
In the Home toolbar, click  Compute.
Next, create parametric extrusion datasets to later represent space and time evolution of different variables in a 2D surface plot.
Results
Parametric Extrusion 1D 1
1
In the Results toolbar, click  More Datasets and choose Parametric Extrusion 1D.
2
In the Settings window for Parametric Extrusion 1D, locate the Data section.
3
From the Dataset list, choose Study 2/Solution 2 (sol2).
4
Locate the Settings section. In the Level scale factor text field, type f0.
Parametric Extrusion 1D 2
1
Right-click Parametric Extrusion 1D 1 and choose Duplicate.
2
In the Settings window for Parametric Extrusion 1D, locate the Data section.
3
From the Dataset list, choose Study 3/Solution 3 (sol3).
Create plots for the electron density and temperature in the alpha regime.
Electron density, alpha regime
1
In the Results toolbar, click  2D Plot Group.
2
In the Settings window for 2D Plot Group, type Electron density, alpha regime in the Label text field.
3
Locate the Plot Settings section.
4
Select the y-axis label check box. In the associated text field, type Period fraction.
Surface 1
1
Right-click Electron density, alpha regime and choose Surface.
2
In the Settings window for Surface, locate the Expression section.
3
In the Expression text field, type ptp.ne.
4
In the Electron density, alpha regime toolbar, click  Plot.
Electron temperature, alpha regime
1
In the Model Builder window, right-click Electron density, alpha regime and choose Duplicate.
2
In the Settings window for 2D Plot Group, type Electron temperature, alpha regime in the Label text field.
Surface 1
1
In the Model Builder window, expand the Electron temperature, alpha regime node, then click Surface 1.
2
In the Settings window for Surface, locate the Expression section.
3
In the Expression text field, type ptp.Te.
4
In the Electron temperature, alpha regime toolbar, click  Plot.
Create plots for the power absorbed by electrons and the ionization rate for the alpha and gamma regimes. Add contour lines of the charge density that roughly represent the plasma sheath boundary.
Power absorbed by electrons, alpha regime
1
In the Model Builder window, right-click Electron temperature, alpha regime and choose Duplicate.
2
In the Settings window for 2D Plot Group, type Power absorbed by electrons, alpha regime in the Label text field.
Surface 1
1
In the Model Builder window, expand the Power absorbed by electrons, alpha regime node, then click Surface 1.
2
In the Settings window for Surface, locate the Expression section.
3
In the Expression text field, type ptp.Pcap.
Contour 1
1
In the Model Builder window, right-click Power absorbed by electrons, alpha regime and choose Contour.
2
In the Settings window for Contour, locate the Expression section.
3
In the Expression text field, type (ptp.n_wAr_1p+ptp.n_wAr2_1p-ptp.ne)*e_const.
4
Locate the Levels section. From the Entry method list, choose Levels.
5
In the Levels text field, type 1e-2.
6
Locate the Coloring and Style section. From the Contour type list, choose Tube.
7
From the Coloring list, choose Uniform.
8
From the Color list, choose White.
9
Clear the Color legend check box.
10
In the Power absorbed by electrons, alpha regime toolbar, click  Plot.
Power absorbed by electrons, gamma regime
1
Right-click Power absorbed by electrons, alpha regime and choose Duplicate.
2
In the Settings window for 2D Plot Group, type Power absorbed by electrons, gamma regime in the Label text field.
3
Locate the Data section. From the Dataset list, choose Parametric Extrusion 1D 2.
4
In the Power absorbed by electrons, gamma regime toolbar, click  Plot.
Electron source, alpha regime
1
Right-click Power absorbed by electrons, alpha regime and choose Duplicate.
2
In the Settings window for 2D Plot Group, type Electron source, alpha regime in the Label text field.
Surface 1
1
In the Model Builder window, expand the Electron source, alpha regime node, then click Surface 1.
2
In the Settings window for Surface, locate the Expression section.
3
In the Expression text field, type ptp.Re.
4
In the Electron source, alpha regime toolbar, click  Plot.
Electron source, gamma regime
1
In the Model Builder window, right-click Electron source, alpha regime and choose Duplicate.
2
In the Settings window for 2D Plot Group, type Electron source, gamma regime in the Label text field.
3
Locate the Data section. From the Dataset list, choose Parametric Extrusion 1D 2.
4
In the Electron source, gamma regime toolbar, click  Plot.