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Model of an Argon/Chlorine Inductively Coupled Plasma Reactor with RF Bias
Introduction
This tutorial uses the inductively Coupled Plasma with RF Bias interface to model an argon/chlorine inductively coupled plasma reactor with RF bias (also known as ICP/CCP). The Inductively Coupled Plasma with RF Bias interface is used to study discharges that are sustained by induction currents and have an additional time-periodic electric excitation. This interface adds the Plasma, Time Periodic and Magnetic Fields interfaces. The magnetic field is solved in the frequency domain and the plasma solves for a periodic solution. The multiphysics couplings couple the time-averaged plasma conductivity to the Magnetic Fields interface and couple the resulting electron heating due to the induction currents back to the Plasma, Time Periodic interface.
It is also shown how to prepare a model with a mixture of different elements (in this case Ar and Cl2) in which one of the species can dissociate by electron impact (Cl2 dissociates into Cl) and where negative ions exist (the dissociative electron attachment of Cl2 creates Cl-).
A simplified plasma chemistry is used to discuss the main aspects of such discharges. It is important to keep in mind that a benchmark is not attempted and the idea is to provide a base case that can be used to develop more complex chemistries. In fact, it might be necessary to modify the data used and to add more reactions to achieve experimental verification.
In this model, the many features used to set up the plasma chemistry are created automatically from a text file by using the Plasma Chemistry add-in.
Model Definition
The plasma model is solved self-consistently with the Magnetic Fields, Laminar Flow and Heat Transfer in Fluids interfaces. The plasma transport equations coupled with Poisson’s equation are solved in a time-periodic fashion, allowing for the description of the different quantities along the period. In this way, electrons exhibit periodic modulation caused by the RF bias. The Magnetic Fields interface is solved in the frequency domain. The Joule heating term obtained from the Magnetic Fields interface is thus an averaged quantity and is given to the electron mean-energy equation as a constant value along the period. The plasma conductivity used in the magnetic field equations is computed from period-averaged quantities obtained using the Plasma, Time Periodic interface.
The Laminar Flow and Heat Transfer in Fluids interfaces are solved in a stationary form and consequently all period evolution is neglected. The fluid and thermodynamic properties computed in the plasma model and passed on to the Laminar Flow and Heat Transfer in Fluids interfaces are period-averaged quantities.
In particular, this model assumes that the heavy species only exist in the Base geometry. This means that ions and neutrals do not have a period modulation and only experience a time-averaged electric field.
Electric Excitation
There are two independent forms of electric excitation present in this model
For a nonmagnetized, nonpolarized plasma, the induction currents are computed in the frequency domain using the following equation:
The electromagnetic excitation “sees” a plasma defined by the plasma conductivity in the cold plasma approximation that is set in the Plasma Conductivity Coupling multiphysics feature:
Here, <ne> is the period averaged electron density, q is the electron charge, me is the electron mass, e> is the period averaged collision frequency, and ω is the angular frequency. The Joule heating term, which represents the heating of the electrons, is set in the Electron Heat Source multiphysics feature.
The biased electrode is driven by a sinusoidal excitation at constant voltage amplitude
(1)
The DC bias voltage Vdc,b is computed so that the net current over a period is zero.
Plasma Boundary Conditions
Electrons are lost to the wall due to random motion within a few mean free paths of the wall and gained due to secondary emission effects, resulting in the following boundary condition for the electron flux:
and the electron energy flux:
For the heavy species, ions are lost to the wall due to surface reactions and the fact that the electric field is directed toward the wall:
The walls of the reactor are grounded with the exception of the biased electrode.
Plasma Chemistry
Negative ions are created in certain molecular gaseous discharges (like chlorine, oxygen, hydrogen, fluorocarbons, and so on) and these discharges tend to have complex plasma chemistries with many ions, dissociative products, and excited states. Here a simple plasma chemistry is used and no benchmark is attempted. In fact, it might be necessary to modify the data used and add more reactions to achieve experimental verification. Nevertheless, this plasma chemistry allows to show the main aspects of an electronegative discharge. The plasma chemistry should be adapt and improved for specific applications as needed. One aspect that emerges from analyzing model results of the present model is that the dissociation degree is high. Knowing this it might be needed to add more reactions involving Cl.
The plasma chemistry used here includes electron impact reactions from Ref. 1and Ref. 2, and some reactions are estimated from similar reactions based on data from Ref. 3. A good discussion of plasma chemistry for electronegative gases can be found in Ref. 4. In particular, in the section “A Data Set for Oxygen,” page 270 of Ref. 4 a set of reactions for oxygen discharges is discussed.
Argon is one of the simplest mechanisms to implement at low pressures. The electronically excited states can be lumped into a single species, which results in a chemical mechanism consisting of only three species and seven reactions presented in Table 1 (electron impact cross sections are obtained from Ref. 1).
Chlorine has a much richer reaction set that includes vibrational and rotational excitations, excitation of several electronic excited states, electron impact dissociation, dissociative attachment, and many others. Electron impact reactions with Cl2 are from Ref. 2 except for e+Cl=>Cl+e+e and e+Cl-=>Cl+e+e, which are estimated from similar reactions from Ref. 3. Electron impact reactions are neglected except for e+Cl=>Cl+e+e. For simplicity, rotational, vibrational, and electronic excited states are not treated explicitly but energy losses are considered. The chlorine electron impact reactions used in this model are presented in Table 2.
e+Cl2=>Cl+Cl-
e+Cl2=>e+Cl2
e+Cl2=>e+Cl2
e+Cl2=>e+Cl2
e+Cl2=>e+Cl+Cl
e+Cl2=>e+Cl2
e+Cl2=>e+Cl2
e+Cl2=>e+Cl-+Cl+
e+Cl2=>2e+Cl2+
e+Cl2=>2e+Cl+Cl+
e+Cl-=>2e+Cl
Table 3 presents the heavy species reactions involving ions. All these reactions rates are estimated from similar reactions from Ref. 3.
Cl++Cl-=>2Cl
Cl2++Cl-=>3Cl
Cl-+Ar+=>Cl+Ar
In addition to volumetric reactions, Table 4 lists the surface reactions implemented.
Ar+=>Ar
Cl2+=>Cl2
Cl-=>Cl
Cl+=>Cl
Boundary conditions for heavy species are introduced in the model by using surface reactions. If no surface reactions that lead to the loss of a given species at a surface are introduced in the model, that species will not have losses by transport. This can lead to the unbounded growth of a given species and a steady-state solution might not be possible.
Atomic recombination (reaction 3 in Table 4) at a surface is an important aspect of plasma discharges with molecular species since it influences the dissociation degree in the discharge. The sticking coefficient for atomic recombination is a function of the surface type and temperature.
Electronegative Plasmas
Electronegative plasmas are plasmas that contain negative ions. Negative ions are mainly created by electron dissociative attachment (for example, e+Cl2=>Cl+Cl-). This reaction tends to be very effective at low electron energies and can reduce the electrons in a discharge to the point that an ion-ion discharge is obtained. The transport and volume creation/destruction mechanisms tend to be more complex than electropositive plasmas in many respects. Here, only a few are mentioned with emphasis on the numerical difficulties that they introduce. More information can be found in Ref. 4, section 10.3 and references therein.
In electronegative discharges negative ions are well confined by the ambipolar electric field and losses by transport are very small. This means that to achieve a steady state volume losses need to be included for negative ions. The mechanisms by which negative ions are lost depend on the gas mixture and pressure and they are: mutual recombination with positive ions (for example, Cl-+Cl+=>2C or Cl-+Ar+=>Cl+Ar), detachment in collisions with excited or neutral atoms or molecules (for example, Cl-+Cl=>Cl2+e or Cl-+Cl2=>Cl+Cl2+e), and electron-impact detachment (for example, e+Cl-=>Cl+2e).
In electronegative discharges it is often possible to identify two spatial regions using the electronegativity (ratio of the negative ion density to the electron density): (i) one in the core of the discharge (the electronegative core) with high electronegativity where the dominant charge species are positive and negative ions; (ii) and the other close to the boundaries (electropositive edges) where the dominant charged species are electron and positive ions. In the transition between these two regions the negative ion density drops abruptly causing a chock-like phenomena. This transition needs to be well resolved spatially. If not, oscillations can be seen in the negative ion density and the model might not converge. Some strategies to deal with this are:
Increase the negative ion diffusion coefficient or decreasing its mobility. When using the option Compute Mobility and Diffusivity the mobility is computed using Einstein relation which by default uses the gas temperature. By specifying a higher ion temperature results in a smaller mobility.
Enable Isotropic diffusion for ions in the Inconsistent Stabilization section (the stabilization sections are visible when Stabilization is selected in Show More Options). This option adds artificial diffusion to all ions and helps smoothing the sharp transition of the negative ion density between the electropositive edge and the electronegative core, and also increase the density of the negative ions in the electropositive edge effectively increasing its losses by transport. This option should be used very carefully since completely wrong results can be obtained if too much diffusion is used (the tuning parameter for ions should not be larger than 0.1). A useful strategy is to start with a large Tuning parameter for ions (for example, 0.5) and ramp it down using a Auxiliary sweep.
Inflow and Outflow
The Inflow boundary condition fixes the mass fraction or mole fraction of specified species. It is used in this model to set the mole fraction of the inlet mixture at a boundary. The fluid velocity is computed and set at the same boundary by the Inlet feature of the Laminar Flow interface. At the Inflow boundary condition the model fraction of Cl is set to a small number so that the mole fraction of Ar/Cl2 is always respected at the boundary. When dissociation is high, the mole fraction of Ar can be different than specified because the mass fraction of Ar is obtained from a mass constraint and, in fact, no explicit constraint is applied at the boundary.
The Outflow boundary condition removes transport by diffusion at the boundary but it still keeps transport by convection and migration in the electric field. The Outflow boundary condition only sets boundary conditions for heavy species. To model a net outflow out of the system the Outlet boundary condition of the Laminar flow interface should be used.
When solving for plasmas with chemistries that contain more than one element (for example, Ar and Cl2) with a stationary solver the mass fraction of each element is not conserved if no constraint is used. This problem is similar in nature to the one found when solving for Navier–Stokes equations in steady state without fixing the pressure somewhere. As a strategy to overcome this problem, one can fix the mole fraction of a given species using the Inflow boundary condition even if no fluid flow exists in the system.
In the present model, it is assumed that the charged species (electrons and ions) are lost by transport at the inflow and outflow boundaries. This is modeled by applying the surface reactions for ions and the Wall feature for electrons. This could represent a metal grid boundary that allows the neutral gas to flow through it, while the plasma “sees” a metal boundary. It is also assumed that Ars and Cl can react at the inflow and outflow boundaries. To adjust the probability of a reaction to occur at a surface, the Forward sticking coefficient in the Surface Reaction feature can be adjusted. As an example, to model a 50% probability of Ars to react at the outflow grid, the Forward sticking coefficient should be set to 0.5.
Solution Strategy
The recommended solution strategy to model an inductively coupled plasma with RF bias is as follows. First solve the problem with inductively coupled plasma only. To speed up this study, set the Number of elements in the Extra Dimension Settings to 1. Since there is no RF bias applied yet it is not necessary to have resolution along the period. Afterward, add a second study that uses the solution of the previous study as initial conditions. Increase the Number of elements to a value in the range 30–50 and use the Auxiliary sweep to increase the amplitude of the applied voltage.
For pure CCP problems, it is advised to set the Terminal type to Power in the Metal Contact feature because it makes the numerical problem much easier. For ICP/CCP models, it is advised to set Terminal type to Voltage.
At the biased electrode, the electrons can exhibit strong period modulation and can attain as high energies as in a pure CCP reactor. For these reasons, the space and period resolutions need to be as high as in a pure CCP reactor model.
Results and Discussion
Figure 1 through Figure 3 show the period-averaged spatial distributions of the electron density, electron temperature, and electric potential for 250 W of coil power and Vrf = 100 V. The electron density is relatively low (almost 1016 m3) and has a flat profile in the core of the discharge, where the dominant charged species are the ions of chlorine (not shown) with number densities of the order of 1017 m3. This makes the discharge have high electronegativity in most of the reactor. At the edges, the negative ion density decreases fast and the plasma becomes electropositive.
The dominant power coupled to the system is inductive and is responsible for maintaining a high plasma density. The RF bias influences the plasma density significantly but the electron temperature changes from having a maximum just below the coil for Vrf = 0 V to a maximum at the biased electrode for higher voltages.
From the period-averaged potential it is possible to see that a DC bias of about 75 V is developed at the biased electrode. This is also possible to see from the period evolution of the applied voltage Figure 4. This figure also shows the current at the electrode, which strongly deviates from a sinusoidal and has a strong contribution from the electron current when the sheath collapses.
Figure 5 and Figure 6 show the magnitude of the fluid velocity and the gas temperature, respectively. The flow pattern, as expected, has its maximum at the inlet and the trajectory strongly connects to the outlet with the region at the symmetry axis having low fluid velocities. The background gas temperature attains 1000 K with elastic collisions of electrons with the background gas being the main heating mechanism.
Figure 1: Period averaged electron density for 250 W of coil power and Vrf = 100 V.
Figure 2: Period averaged electron temperature for 250 W of coil power and Vrf = 100 V.
Figure 3: Period averaged electric potential for 250 W of coil power and Vrf = 100 V.
Figure 4: Current and voltage at the biased electrode for 250 W of coil power and Vrf = 100 V.
Figure 5: Magnitude of the fluid velocity for 250 W of coil power and Vrf = 100 V.
Figure 6: Gas temperature for 250 W of coil power and Vrf = 100 V.
References
1. Phelps database, www.lxcat.net, retrieved 2017.
2. SIGLO database, www.lxcat.net, retrieved 2022.
3. A. Friedman, Plasma Chemistry, Cambridge University Press, 2008
4. M.A. Lieberman and A.J. Lichtenberg, Principles of Plasma Discharges and Materials Processing, John Wiley & Sons, 2005.
Application Library path: Plasma_Module/Inductively_Coupled_Plasmas/icp_ccp_argon_chlorine
Modeling Instructions
From the File menu, choose New.
New
In the New window, click  Model Wizard.
Model Wizard
1
In the Model Wizard window, click  2D Axisymmetric.
2
In the Select Physics tree, select Plasma>Inductively Coupled Plasma with RF Bias.
3
Click Add.
4
In the Select Physics tree, select Fluid Flow>Single-Phase Flow>Laminar Flow (spf).
5
Click Add.
6
In the Select Physics tree, select Heat Transfer>Heat Transfer in Fluids (ht).
7
Click Add.
8
Click  Study.
9
In the Select Study tree, select Preset Studies for Selected Multiphysics>Frequency-Time Periodic.
10
Geometry 1
Create the geometry of a generic ICP reactor.
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 cm.
Rectangle 1 (r1)
1
In the Geometry toolbar, click  Rectangle.
2
In the Settings window for Rectangle, locate the Size and Shape section.
3
In the Width text field, type 30.
4
In the Height text field, type 30.
Rectangle 2 (r2)
1
In the Geometry toolbar, click  Rectangle.
2
In the Settings window for Rectangle, locate the Size and Shape section.
3
In the Width text field, type 30.
4
In the Height text field, type 3.
5
Locate the Position section. In the z text field, type 20.
Rectangle 3 (r3)
1
In the Geometry toolbar, click  Rectangle.
2
In the Settings window for Rectangle, locate the Position section.
3
In the r text field, type 3.
4
In the z text field, type 23.
Array 1 (arr1)
1
In the Geometry toolbar, click  Transforms and choose Array.
2
3
In the Settings window for Array, locate the Size section.
4
In the r size text field, type 4.
5
Locate the Displacement section. In the r text field, type 4.5.
Rectangle 4 (r4)
1
In the Geometry toolbar, click  Rectangle.
2
In the Settings window for Rectangle, locate the Size and Shape section.
3
In the Width text field, type 15.
4
In the Height text field, type 5.
Rectangle 5 (r5)
1
In the Geometry toolbar, click  Rectangle.
2
In the Settings window for Rectangle, locate the Size and Shape section.
3
In the Width text field, type 6.
4
In the Height text field, type 5.
5
Locate the Position section. In the r text field, type 15.
Rectangle 6 (r6)
1
In the Geometry toolbar, click  Rectangle.
2
In the Settings window for Rectangle, locate the Size and Shape section.
3
In the Width text field, type 15.
4
Locate the Position section. In the z text field, type 5.
Rectangle 7 (r7)
1
In the Geometry toolbar, click  Rectangle.
2
In the Settings window for Rectangle, locate the Size and Shape section.
3
In the Width text field, type 10.
4
In the Height text field, type 6.
5
Locate the Position section. In the r text field, type 20.
6
In the z text field, type 14.
Line Segment 1 (ls1)
1
In the Geometry toolbar, click  More Primitives and choose Line Segment.
2
In the Settings window for Line Segment, locate the Starting Point section.
3
From the Specify list, choose Coordinates.
4
Locate the Endpoint section. From the Specify list, choose Coordinates.
5
Locate the Starting Point section. In the r text field, type 20.
6
In the z text field, type 17.
7
Locate the Endpoint section. In the r text field, type 20.
8
In the z text field, type 18.
Mesh Control Edges 1 (mce1)
1
In the Geometry toolbar, click  Virtual Operations and choose Mesh Control Edges.
2
On the object fin, select Boundaries 6 and 29 only.
3
In the Geometry toolbar, click  Build All.
Geometry 1
In the Model Builder window, collapse the Component 1 (comp1)>Geometry 1 node.
Add parameters to be used in the model like the mole fractions of Cl2 and Ar, and the amplitude of the RF bias Vrf.
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
Create explicit selections to simplify the model creation.
Definitions (comp1)
Coil
1
In the Definitions toolbar, click  Explicit.
2
In the Settings window for Explicit, type Coil in the Label text field.
3
Coil boundaries
1
Right-click Coil and choose Duplicate.
2
In the Settings window for Explicit, type Coil boundaries in the Label text field.
3
Locate the Output Entities section. From the Output entities list, choose Adjacent boundaries.
Walls
1
In the Definitions toolbar, click  Explicit.
2
In the Settings window for Explicit, type Walls in the Label text field.
3
4
Locate the Output Entities section. From the Output entities list, choose Adjacent boundaries.
Add materials to define the properties of the coil, dielectric window, and air surrounding the coil.
Materials
In the Home toolbar, click  Windows and choose Add Material from Library.
Add Material
1
Go to the Add Material window.
2
3
Click Add to Component in the window toolbar.
4
In the tree, select Built-in>Copper.
5
Click Add to Component in the window toolbar.
6
In the tree, select Built-in>Glass (quartz).
7
Click Add to Component in the window toolbar.
Materials
Air (mat1)
1
In the Model Builder window, under Component 1 (comp1)>Materials click Air (mat1).
2
In the Settings window for Material, locate the Geometric Entity Selection section.
3
Click  Clear Selection.
4
Copper (mat2)
1
In the Model Builder window, click Copper (mat2).
2
In the Settings window for Material, locate the Geometric Entity Selection section.
3
From the Selection list, choose Coil.
Glass (quartz) (mat3)
1
In the Model Builder window, click Glass (quartz) (mat3).
2
Definitions (comp1)
In the Model Builder window, collapse the Component 1 (comp1)>Definitions node.
Materials
1
In the Model Builder window, collapse the Component 1 (comp1)>Materials node.
2
Click the  Show More Options button in the Model Builder toolbar.
3
In the Show More Options dialog box, select Physics>Stabilization in the tree.
4
5
Select some transport settings to couple the plasma model with heat transfer and fluid flow. Select also Mixture diffusion correction to add a correction term to the heavy species flux.
This model needs stabilization because the density of the negative ions can drop sharply and attain very small values at the reactor edges. The reaction source stabilizations adds artificial creation to prevent the densities to reach very small values, and isotropic diffusion prevents the appearance of instabilities when the negative ion density drops sharply.
Set the Number of elements in the extra dimension to 1 because in the first study only the ICP power is added and resolution along the period is not necessary.
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, click to expand the Stabilization section.
3
Select the Reaction source stabilization check box.
4
Locate the Transport Settings section. Find the Include subsection. Select the Calculate thermodynamic properties check box.
5
Select the Mixture diffusion correction check box.
6
Select the Convection check box.
7
Locate the Plasma Properties section. Select the Use reduced electron transport properties check box.
8
Locate the Electron Energy Distribution Function Settings section. From the Electron energy distribution function list, choose Maxwellian.
9
Locate the Extra Dimension Settings section. In the N text field, type 1.
10
From the Heavy species selection list, choose Base geometry.
11
Click to expand the Inconsistent Stabilization section. Select the Isotropic diffusion for ions check box.
12
In the δid,i text field, type Isopar.
13
Locate the Domain Selection section. Click  Clear Selection.
14
The Plasma Chemistry Add-in
The next steps have instructions to first import the Plasma Chemistry add-in and then to use this add-in to import a file that automatically creates the argon-oxygen plasma chemistry.
The following is set or created automatically:
a
Species properties using Preset species data
b
c
d
The documentation accompanying the Plasma Chemistry add-in contains more information about the file structure and what can be set automatically.
In the Home toolbar, click  Windows and choose Add-in Libraries.
Add-in Libraries
1
In the Add-in Libraries window, select Plasma Module>plasma_chemistry in the tree.
2
In the tree, select the check box for the node Plasma Module>plasma_chemistry.
3
Click  Done to load the add-in and close the Add-in Libraries window.
4
In the Developer toolbar, click  Add-ins and choose Plasma Chemistry>Plasma Chemistry.
Global Definitions
Plasma Chemistry 1
1
In the Model Builder window, under Global Definitions click Plasma Chemistry 1.
2
In the Settings window for Plasma Chemistry, locate the Plasma Chemistry Import section.
3
Click Browse.
4
5
Click Import.
In the following, the different types of features are grouped to make the Model Builder tree easier to navigate.
Plasma, Time Periodic (ptp)
10: e+Cl2=>e+Cl2, 11: e+Cl2=>e+Cl2, 12: e+Cl2=>e+Cl-+Cl+, 13: e+Cl2=>2e+Cl2+, 14: e+Cl2=>2e+Cl+Cl+, 15: e+Ar=>e+Ar, 16: e+Ar=>e+Ars, 17: e+Ars=>e+Ar, 18: e+Ar=>2e+Ar+, 19: e+Ars=>2e+Ar+, 1: e+Cl2=>Cl+Cl-, 20: e+Cl=>Cl++2e, 21: e+Cl-=>Cl+2e, 2: e+Cl2=>e+Cl2, 3: e+Cl2=>e+Cl2, 4: e+Cl2=>e+Cl2, 5: e+Cl2=>e+Cl+Cl, 6: e+Cl2=>e+Cl+Cl, 7: e+Cl2=>e+Cl+Cl, 8: e+Cl2=>e+Cl+Cl, 9: e+Cl2=>e+Cl+Cl, Cross Section Import 1, Cross Section Import 2
1
In the Model Builder window, under Component 1 (comp1)>Plasma, Time Periodic (ptp), Ctrl-click to select Cross Section Import 1, Cross Section Import 2, 1: e+Cl2=>Cl+Cl-, 2: e+Cl2=>e+Cl2, 3: e+Cl2=>e+Cl2, 4: e+Cl2=>e+Cl2, 5: e+Cl2=>e+Cl+Cl, 6: e+Cl2=>e+Cl+Cl, 7: e+Cl2=>e+Cl+Cl, 8: e+Cl2=>e+Cl+Cl, 9: e+Cl2=>e+Cl+Cl, 10: e+Cl2=>e+Cl2, 11: e+Cl2=>e+Cl2, 12: e+Cl2=>e+Cl-+Cl+, 13: e+Cl2=>2e+Cl2+, 14: e+Cl2=>2e+Cl+Cl+, 15: e+Ar=>e+Ar, 16: e+Ar=>e+Ars, 17: e+Ars=>e+Ar, 18: e+Ar=>2e+Ar+, 19: e+Ars=>2e+Ar+, 20: e+Cl=>Cl++2e, and 21: e+Cl-=>Cl+2e.
2
Electron impact Reactions
1
In the Settings window for Group, type Electron impact Reactions in the Label text field.
2
In the Model Builder window, collapse the Electron impact Reactions node.
22: Ars+Ars=>Ar++Ar+e, 23: Cl++Cl-=>2Cl, 24: Cl2++Cl-=>3Cl, 25: Cl-+Ar+=>Cl+Ar
1
In the Model Builder window, under Component 1 (comp1)>Plasma, Time Periodic (ptp), Ctrl-click to select 22: Ars+Ars=>Ar++Ar+e, 23: Cl++Cl-=>2Cl, 24: Cl2++Cl-=>3Cl, and 25: Cl-+Ar+=>Cl+Ar.
2
Heavy Species Reactions
1
In the Settings window for Group, type Heavy Species Reactions in the Label text field.
2
In the Model Builder window, collapse the Heavy Species Reactions node.
Species: Ar, Species: Ar+, Species: Ars, Species: Cl, Species: Cl+, Species: Cl-, Species: Cl2, Species: Cl2+, Species: e
1
In the Model Builder window, under Component 1 (comp1)>Plasma, Time Periodic (ptp), Ctrl-click to select Species: e, Species: Cl2, Species: Cl, Species: Cl-, Species: Cl+, Species: Cl2+, Species: Ar, Species: Ars, and Species: Ar+.
2
Species
In the following, initial mole fractions, and initial number density for ions are specified. The mass fraction of Ar is found from a mass constraint and the initial density of Cl2+ is found by requiring electroneutrality.
1
In the Settings window for Group, type Species in the Label text field.
Species: Cl2
1
In the Model Builder window, click Species: Cl2.
2
In the Settings window for Species, locate the General Parameters section.
3
In the x0 text field, type xCl2.
Species: Cl
1
In the Model Builder window, click Species: Cl.
2
In the Settings window for Species, locate the General Parameters section.
3
In the x0 text field, type 1e-4.
Species: Cl-
1
In the Model Builder window, click Species: Cl-.
2
In the Settings window for Species, locate the General Parameters section.
3
In the n0 text field, type 1e10.
Species: Cl+
1
In the Model Builder window, click Species: Cl+.
2
In the Settings window for Species, locate the General Parameters section.
3
In the n0 text field, type 1E10[1/m^3].
Species: Cl2+
1
In the Model Builder window, click Species: Cl2+.
2
In the Settings window for Species, locate the Species Formula section.
3
Select the Initial value from electroneutrality constraint check box.
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.
Species: Ar+
1
In the Model Builder window, click Species: Ar+.
2
In the Settings window for Species, locate the General Parameters section.
3
In the n0 text field, type 1E10[1/m^3].
Plasma, Time Periodic (ptp)
Species
In the Model Builder window, collapse the Component 1 (comp1)>Plasma, Time Periodic (ptp)>Species node.
1: Ar+=>Ar, 2: Ars=>Ar, 3: Cl=>0.5Cl2, 4: Cl-=>Cl, 5: Cl2+=>Cl2, 6: Cl+=>Cl
1
In the Model Builder window, under Component 1 (comp1)>Plasma, Time Periodic (ptp), Ctrl-click to select 1: Ar+=>Ar, 2: Ars=>Ar, 3: Cl=>0.5Cl2, 4: Cl-=>Cl, 5: Cl2+=>Cl2, and 6: Cl+=>Cl.
2
Surface Reactions
The surface reactions used in the model were created automatically but it is still necessary to specify at which boundary they are going to exist.
1
In the Settings window for Group, type Surface Reactions in the Label text field.
1: Ar+=>Ar
1
In the Model Builder window, click 1: Ar+=>Ar.
2
In the Settings window for Surface Reaction, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
2: Ars=>Ar
1
In the Model Builder window, click 2: Ars=>Ar.
2
In the Settings window for Surface Reaction, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
3: Cl=>0.5Cl2
1
In the Model Builder window, click 3: Cl=>0.5Cl2.
2
In the Settings window for Surface Reaction, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
4: Cl-=>Cl
1
In the Model Builder window, click 4: Cl-=>Cl.
2
In the Settings window for Surface Reaction, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
5: Cl2+=>Cl2
1
In the Model Builder window, click 5: Cl2+=>Cl2.
2
In the Settings window for Surface Reaction, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
6: Cl+=>Cl
1
In the Model Builder window, click 6: Cl+=>Cl.
2
In the Settings window for Surface Reaction, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
Plasma, Time Periodic (ptp)
Surface Reactions
In the Model Builder window, collapse the Component 1 (comp1)>Plasma, Time Periodic (ptp)>Surface Reactions node.
In the following, select the fluid velocity, temperature and pressure to come from the Laminar Flow and Heat Transfer in Fluids interfaces.
Set the electron mobility. All other electron transport properties are computed from the given electron mobility.
Plasma Model 1
1
In the Model Builder window, click Plasma Model 1.
2
In the Settings window for Plasma Model, locate the Model Inputs section.
3
From the u list, choose Velocity field (spf).
4
From the T list, choose Temperature (ht).
5
From the pA list, choose Absolute pressure (spf).
6
Locate the Electron Density and Energy section. From the Electron transport properties list, choose Specify mobility only.
7
In the μeNn text field, type 0.7e24[1/V/m/s]*(ptp.Te/1[V])^-0.6*exp(1.3[V]/ptp.Te).
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].
Wall 1
1
In the Physics toolbar, click  Boundaries and choose Wall.
The Wall node sets boundary conditions for the electron transport equations.
2
In the Settings window for Wall, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
Ground 1
1
In the Physics toolbar, click  Boundaries and choose Ground.
2
The Inflow node is used here to fix the mole fraction of Ar, Cl2, and Cl at the boundary that represents the inlet.
The mole fraction of xCl is fixed at a low value to prevent it to attain large values due to dissociation of Cl2.
Inflow 1
1
In the Physics toolbar, click  Boundaries and choose Inflow.
2
In the Settings window for Inflow, locate the Inflow section.
3
4
5
6
7
8
9
Outflow 1
1
In the Physics toolbar, click  Boundaries and choose Outflow.
2
Dielectric Contact 1
1
In the Physics toolbar, click  Boundaries and choose Dielectric Contact.
2
Add a Metal Contact node to set a RF bias.
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 Terminal type list, choose Voltage.
5
Locate the RF Source section. In the Va text field, type Vrf.
6
Locate the DC Source section. Select the Compute DC self-bias check box.
Plasma, Time Periodic (ptp)
In the Model Builder window, collapse the Component 1 (comp1)>Plasma, Time Periodic (ptp) node.
Select the domains where the magnetic fields are to be solved and add the coil that is responsible for exciting the plasma.
Magnetic Fields (mf)
1
In the Model Builder window, under Component 1 (comp1) click Magnetic Fields (mf).
2
Coil 1
1
In the Physics toolbar, click  Domains and choose Coil.
2
In the Settings window for Coil, locate the Coil section.
3
Select the Coil group check box.
4
From the Coil excitation list, choose Power.
5
In the Pcoil text field, type Picp.
6
Locate the Domain Selection section. From the Selection list, choose Coil.
Magnetic Fields (mf)
In the Model Builder window, collapse the Component 1 (comp1)>Magnetic Fields (mf) node.
Select the domain where the fluid flow is to be solved and select the fluid properties to come from the Plasma, Time Periodic interface and the fluid temperature to come from the Heat Transfer in Fluids interface.
Also, set an inlet and outlet for the flow in the system, and set the operation pressure.
Laminar Flow (spf)
1
In the Model Builder window, under Component 1 (comp1) click Laminar Flow (spf).
2
In the Settings window for Laminar Flow, locate the Domain Selection section.
3
Click  Clear Selection.
4
5
Locate the Physical Model section. From the Compressibility list, choose Compressible flow (Ma<0.3).
6
In the pref text field, type 0.015[torr].
Fluid Properties 1
1
In the Model Builder window, under Component 1 (comp1)>Laminar Flow (spf) click Fluid Properties 1.
2
In the Settings window for Fluid Properties, locate the Model Input section.
3
From the T list, choose Temperature (ht).
4
Locate the Fluid Properties section. From the ρ list, choose Density, period averaged (ptp/pes1).
5
From the μ list, choose Dynamic viscosity, period averaged (ptp/pes1).
Inlet 1
1
In the Physics toolbar, click  Boundaries and choose Inlet.
2
3
In the Settings window for Inlet, locate the Boundary Condition section.
4
5
Locate the Mass Flow section. From the Mass flow type list, choose Standard flow rate (SCCM).
6
In the Qsccm text field, type Qf.
7
From the Mn list, choose Mean molar mass, period averaged (ptp/pes1).
Outlet 1
1
In the Physics toolbar, click  Boundaries and choose Outlet.
2
Select the domain where the Heat Transfer in Fluids interface is to be solved and select the fluid properties to come from the Plasma, Time Periodic interface and the fluid velocity and pressure to come from the Laminar Flow interface.
Laminar Flow (spf)
In the Model Builder window, collapse the Component 1 (comp1)>Laminar Flow (spf) node.
Heat Transfer in Fluids (ht)
1
In the Model Builder window, under Component 1 (comp1) click Heat Transfer in Fluids (ht).
2
In the Settings window for Heat Transfer in Fluids, locate the Domain Selection section.
3
Click  Clear Selection.
4
Fluid 1
1
In the Model Builder window, under Component 1 (comp1)>Heat Transfer in Fluids (ht) click Fluid 1.
2
In the Settings window for Fluid, locate the Model Input section.
3
From the pA list, choose Absolute pressure (spf).
4
Locate the Heat Convection section. From the u list, choose Velocity field (spf).
5
Locate the Heat Conduction, Fluid section. From the k list, choose Thermal conductivity, period averaged (ptp/pes1).
6
Locate the Thermodynamics, Fluid section. From the Fluid type list, choose Gas/Liquid.
7
From the ρ list, choose Density, period averaged (ptp/pes1).
8
From the Cp list, choose Heat capacity at constant pressure, period averaged (ptp/pes1).
9
From the γ list, choose User defined.
Temperature 1
1
In the Physics toolbar, click  Boundaries and choose Temperature.
2
In the Settings window for Temperature, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
Add a heat source term for the gas coming from the plasma volume reactions.
Heat Source 1
1
In the Physics toolbar, click  Domains and choose Heat Source.
2
3
In the Settings window for Heat Source, locate the Heat Source section.
4
From the Q0 list, choose Heat source for gas, period averaged (ptp/pes1).
Heat Transfer in Fluids (ht)
In the Model Builder window, collapse the Component 1 (comp1)>Heat Transfer in Fluids (ht) node.
Multiphysics
Electron Heat Source 1 (ehsptp1)
Add a mesh as it was for an ICP reactor but with more refinement at the biased surface.
Mesh 1
Size 1
1
In the Model Builder window, under Component 1 (comp1) right-click Mesh 1 and choose Size.
2
In the Settings window for Size, locate the Geometric Entity Selection section.
3
From the Geometric entity level list, choose Domain.
4
5
Locate the Element Size section. From the Calibrate for list, choose Plasma.
6
From the Predefined list, choose Coarse.
Size 2
1
In the Model Builder window, right-click Mesh 1 and choose Size.
2
In the Settings window for Size, locate the Geometric Entity Selection section.
3
From the Geometric entity level list, choose Boundary.
4
From the Selection list, choose Walls.
5
6
Locate the Element Size section. From the Calibrate for list, choose Plasma.
Edge 1
1
In the Mesh toolbar, click  Edge.
2
Distribution 1
Right-click Edge 1 and choose Distribution.
Mapped 1
1
In the Mesh toolbar, click  Mapped.
2
In the Settings window for Mapped, locate the Domain Selection section.
3
From the Geometric entity level list, choose Domain.
4
From the Selection list, choose Coil.
Distribution 1
1
Right-click Mapped 1 and choose Distribution.
2
In the Settings window for Distribution, locate the Boundary Selection section.
3
From the Selection list, choose Coil boundaries.
4
Locate the Distribution section. From the Distribution type list, choose Predefined.
5
In the Number of elements text field, type 25.
6
In the Element ratio text field, type 20.
7
Select the Symmetric distribution check box.
Mapped 2
1
In the Mesh toolbar, click  Mapped.
2
In the Settings window for Mapped, locate the Domain Selection section.
3
From the Geometric entity level list, choose Domain.
4
5
Click to expand the Control Entities section. Clear the Smooth across removed control entities check box.
Distribution 1
1
Right-click Mapped 2 and choose Distribution.
2
3
In the Settings window for Distribution, locate the Distribution section.
4
From the Distribution type list, choose Predefined.
5
In the Number of elements text field, type 30.
6
In the Element ratio text field, type 3.
7
Select the Reverse direction check box.
Distribution 2
1
In the Model Builder window, right-click Mapped 2 and choose Distribution.
2
3
In the Settings window for Distribution, locate the Distribution section.
4
From the Distribution type list, choose Predefined.
5
In the Number of elements text field, type 15.
6
In the Element ratio text field, type 10.
Free Triangular 1
In the Mesh toolbar, click  Free Triangular.
Boundary Layers 1
1
In the Mesh toolbar, click  Boundary Layers.
2
In the Settings window for Boundary Layers, locate the Domain Selection section.
3
From the Geometric entity level list, choose Domain.
4
5
Click to expand the Corner Settings section. From the Handling of sharp corners list, choose No special handling.
6
Click to expand the Transition section. Clear the Smooth transition to interior mesh check box.
Boundary Layer Properties
1
In the Model Builder window, click Boundary Layer Properties.
2
In the Settings window for Boundary Layer Properties, locate the Boundary Selection section.
3
From the Selection list, choose Walls.
4
5
Locate the Layers section. In the Number of layers text field, type 3.
6
In the Stretching factor text field, type 1.7.
Free Triangular 1
1
In the Model Builder window, under Component 1 (comp1)>Mesh 1 click Free Triangular 1.
2
In the Settings window for Free Triangular, click to expand the Control Entities section.
3
Clear the Smooth across removed control entities check box.
4
Click  Build All.
Mesh 1
In the Model Builder window, collapse the Component 1 (comp1)>Mesh 1 node.
In the first study only inductive power is coupled to the system. The amplitude of the bias Vrf is set to 0V. This first study is necessary to provide initial conditions to a subsequent study where Vrf is increased using the Auxiliary sweep.
The solver setting of this study need to be changed manually.
ICP
1
In the Model Builder window, click Study 1.
2
In the Settings window for Study, type ICP in the Label text field.
Step 1: Frequency-Time Periodic
1
In the Model Builder window, under ICP click Step 1: Frequency-Time Periodic.
2
In the Settings window for Frequency-Time Periodic, locate the Study Settings section.
3
In the Frequency text field, type 13.56[MHz].
4
In the Study toolbar, click  Get Initial Value.
Results
Capacitive Power Deposition, Period Averaged (ptp), Current and Voltage, Metal Contact 1 (ptp), Electric Potential, Period Averaged (ptp), Electron Density, Period Averaged (ptp), Electron Temperature, Period Averaged (ptp), Isothermal Contours (ht), Magnetic Flux Density Norm (mf), Magnetic Flux Density Norm, Revolved Geometry (mf), Pressure (spf), Temperature, 3D (ht), Velocity (spf), Velocity, 3D (spf)
1
In the Model Builder window, under Results, Ctrl-click to select Electron Density, Period Averaged (ptp), Electron Temperature, Period Averaged (ptp), Electric Potential, Period Averaged (ptp), Capacitive Power Deposition, Period Averaged (ptp), Current and Voltage, Metal Contact 1 (ptp), Magnetic Flux Density Norm (mf), Magnetic Flux Density Norm, Revolved Geometry (mf), Velocity (spf), Pressure (spf), Velocity, 3D (spf), Temperature, 3D (ht), and Isothermal Contours (ht).
2
Results
ICP
1
In the Model Builder window, expand the ICP>Solver Configurations node, then click Results>Group 5.
2
In the Settings window for Group, type ICP in the Label text field.
ICP
Solution 1 (sol1)
1
In the Model Builder window, expand the ICP>Solver Configurations>Solution 1 (sol1)>Stationary Solver 1 node, then click Fully Coupled 1.
2
In the Settings window for Fully Coupled, click to expand the Method and Termination section.
3
In the Restriction for step-size increase text field, type 0.05.
4
In the Recovery damping factor text field, type 0.01.
5
From the Update automatic scale factors in weights list, choose Use threshold for weights.
6
In the Fraction of current damping factor text field, type 0.1.
7
Click to expand the Results While Solving section. Select the Plot check box.
8
In the Model Builder window, under ICP>Solver Configurations>Solution 1 (sol1)>Stationary Solver 1 click Direct, heat transfer variables (ht) (merged).
9
In the Settings window for Direct, locate the General section.
10
In the Pivoting perturbation text field, type 1.0E-8.
11
Click to expand the Error section. From the Check error estimate list, choose No.
ICP
1
In the Model Builder window, collapse the ICP node.
2
In the Study toolbar, click  Compute.
Results
Inductive Power Absorbed by Electrons
1
In the Home toolbar, click  Add Plot Group and choose 2D Plot Group.
2
In the Settings window for 2D Plot Group, type Inductive Power Absorbed by Electrons in the Label text field.
Surface 1
1
Right-click Inductive Power Absorbed by Electrons and choose Surface.
2
In the Settings window for Surface, locate the Expression section.
3
In the Expression text field, type mf.Qrh.
4
Locate the Coloring and Style section. Click  Change Color Table.
5
In the Color Table dialog box, select Thermal>ThermalWave in the tree.
6
Selection 1
1
Right-click Surface 1 and choose Selection.
2
3
In the Inductive Power Absorbed by Electrons toolbar, click  Plot.
Add a second study step that will use the solutions of the previous study as initial conditions and will ramp up Vrf using the Auxiliary sweep.
Increase the Number of elements in the extra dimension to 45 to describe the periodic excitation caused by the RF bias.
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 Multiphysics>Frequency-Time Periodic.
4
Click Add Study in the window toolbar.
Study 2
Step 1: Frequency-Time Periodic
1
In the Settings window for Frequency-Time Periodic, locate the Study Settings section.
2
In the Frequency text field, type 13.56[MHz].
3
Click to expand the Values of Dependent Variables section. Find the Initial values of variables solved for subsection. From the Settings list, choose User controlled.
4
From the Method list, choose Solution.
5
From the Study list, choose ICP, Frequency-Time Periodic.
6
Click to expand the Study Extensions section. Select the Auxiliary sweep check box.
7
8
9
Click  Range.
10
In the Range dialog box, type 0 in the Start text field.
11
In the Step text field, type 5.
12
In the Stop text field, type 100.
13
Click Replace.
14
In the Model Builder window, click Study 2.
15
In the Settings window for Study, type ICP/CCP in the Label text field.
16
In the Study toolbar, click  Get Initial Value.
Results
Capacitive Power Deposition, Period Averaged (ptp) 1, Current and Voltage, Metal Contact 1 (ptp) 1, Electric Potential, Period Averaged (ptp) 1, Electron Density, Period Averaged (ptp) 1, Electron Temperature, Period Averaged (ptp) 1, Isothermal Contours (ht) 1, Magnetic Flux Density Norm (mf) 1, Magnetic Flux Density Norm, Revolved Geometry (mf) 1, Pressure (spf) 1, Temperature, 3D (ht) 1, Velocity (spf) 1, Velocity, 3D (spf) 1
1
In the Model Builder window, under Results, Ctrl-click to select Electron Density, Period Averaged (ptp) 1, Electron Temperature, Period Averaged (ptp) 1, Electric Potential, Period Averaged (ptp) 1, Capacitive Power Deposition, Period Averaged (ptp) 1, Current and Voltage, Metal Contact 1 (ptp) 1, Magnetic Flux Density Norm (mf) 1, Magnetic Flux Density Norm, Revolved Geometry (mf) 1, Velocity (spf) 1, Pressure (spf) 1, Velocity, 3D (spf) 1, Temperature, 3D (ht) 1, and Isothermal Contours (ht) 1.
2
Results
ICP/CCP
1
In the Model Builder window, expand the ICP/CCP>Solver Configurations node, then click Results>Group 6.
2
In the Settings window for Group, type ICP/CCP in the Label text field.
ICP/CCP
Solution 2 (sol2)
1
In the Model Builder window, expand the ICP/CCP>Solver Configurations>Solution 2 (sol2)>Stationary Solver 1 node, then click Fully Coupled 1.
2
In the Settings window for Fully Coupled, locate the Results While Solving section.
3
Select the Plot check box.
4
From the Plot group list, choose Electron Density, Period Averaged (ptp) 1.
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 Extra Dimension Settings section.
3
In the N text field, type 45.
ICP/CCP
In the Study toolbar, click  Compute.
Results
Inductive Power Absorbed by Electrons ICP/CCP
1
In the Home toolbar, click  Add Plot Group and choose 2D Plot Group.
2
In the Settings window for 2D Plot Group, type Inductive Power Absorbed by Electrons ICP/CCP in the Label text field.
Surface 1
1
Right-click Inductive Power Absorbed by Electrons ICP/CCP and choose Surface.
2
In the Settings window for Surface, locate the Expression section.
3
In the Expression text field, type mf.Qrh.
4
Locate the Coloring and Style section. Click  Change Color Table.
5
In the Color Table dialog box, select Thermal>ThermalWave in the tree.
6
Selection 1
1
Right-click Surface 1 and choose Selection.
2
3
In the Inductive Power Absorbed by Electrons ICP/CCP toolbar, click  Plot.
Inductive Power Absorbed by Electrons ICP/CCP
1
In the Model Builder window, under Results>ICP/CCP click Inductive Power Absorbed by Electrons ICP/CCP.
2
In the Settings window for 2D Plot Group, locate the Data section.
3
From the Dataset list, choose ICP/CCP/Solution 2 (3) (sol2).
Current and Voltage, Metal Contact 1 (ptp) 1
1
In the Model Builder window, click Current and Voltage, Metal Contact 1 (ptp) 1.
2
In the Settings window for 1D Plot Group, locate the Data section.
3
From the Parameter selection (Vrf) list, choose Last.
4
In the Current and Voltage, Metal Contact 1 (ptp) 1 toolbar, click  Plot.
5
Locate the Legend section. From the Position list, choose Lower right.