37th International Conference on Plasma Science

MINICOURSE Low Temperature Plasma Modeling & Simulation and Applications ~ June 25 (Fri) 14:00-17:00 ~
Yuki Sakiyama, Ph.D. (ysaki@berkely.edu) Research Associate Department of Chemical Engineering, University of California, Berkeley

University of California, Berkeley

2

Outline
1. Problem setting and goals 2. Fluid modeling of atmospheric pressure plasmas 3. Simulation of atmospheric pressure plasmas using COMSOL and MATLAB 4. Plasma chemistry in atmospheric pressure plasmas 5. Neutral gas dynamics in atmospheric pressure plasmas 6. Overview of available codes for simulating low-temperature non-equilibrium plasmas

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1. Problem setting and goals-1
• helium RF plasma needle discharge
visible emission
CCD image (cross sectional view)

(Images courtesy of Prof. John Goree)

Predicted emission distribution

• Understanding the governing equations and boundary conditions • COMSOL and MATLAB • Plasma chemistry • Gas flow and plasma interaction

dark

bright

Sakiyama and D.Phys.D 39 3451 (2006) and J.Graves. Problem setting and goals-2 corona-mode (1 mW) glow-mode (100 mW) Y. J.B.Phys.D 39 3644 (2006) .4 1.

5 Local field approximation (LFA) .3 Necessary parameters 2. Fluid modeling of atmospheric pressure plasmas 2.2 Governing equations 2.5 2.4 Boundary conditions 2.1 Introduction 2.

positive heavy ions (i).56 MHz) • gas pressure: 1 atm (= 760 torr). gap 2mm • external voltage: RF(= 13.6 2. static • gas temperature: room temperature e n i • Which equations to be solved? • What is the physical meaning of the governing equations? • What is appropriate boundary conditions? • How and where are the necessary parameters obtained? .1 Introduction problem setting • species: electrons (e). neutrals (n) • geometry: 1-D parallel plate.

l l ( j = e. n) (eq-1) (eq-2) (eq-3) (eq-4) drift-diffusion approximation: Γ j = ± n j μ j E − D j ∇n j ( j = e.2 Governing equation-1 species continuity equation: ∂n j ∂t + ∇ ⋅ Γ j = ∑ R j . i. i.l = 0 j j l (eq-1′) (eq-4') total mass needs to be conserved! from (eq-4)… ε 0∇ ⋅ ∂n j ∂E = ∑qj ∂t ∂t j ⎛ ⎞ (eq-1’) + (eq-4’)… ε 0∇ ⋅ ∂E + ∑ q j ∇ ⋅ Γ j = ∇ ⋅ ⎜ ε 0 ∂E + ∑ q j Γ j ⎟ = 0 ⎜ ∂t ⎟ ∂t j j ⎝ ⎠ total current continuity equation (eq-5) . i.7 2. n) j ∂ ( neε ) from (eq-1)… ∑qj j ∂n j ∂t + ∑ q j ∇ ⋅ Γ j = ∑∑ R j . n) electron energy equation: Poisson’s equation: 5 ⎛5 ⎞ + ∇ ⋅ ⎜ ε Γe − ne De∇ε ⎟ = −Γe ⋅ E − Qe-N ∂t 3 ⎝3 ⎠ ε 0∇ ⋅ E = ∑ q j n j ( j = e.

2 Governing equation-2 species continuity equation: change in time ∂n j ∂t + ∇ ⋅ Γ j = ∑ R j .l l ( j = e. n) local creation/loss (eq-1) due to motion (convection/diffusion) across the control volume Reaction term: Rl = k r nl = k r nl nl ′ = k r nl nl ′ nl ′′ n ( k [ s ]) ( k [ m s ]) ( k [ m s ]) r r r −1 3 −1 6 −1 Δn Γ ( x ) Δt = n ( x ) uΔt Γ ( x + Δx ) Δt = n ( x + Δx ) u Δt x x x+Δx . i.8 2.

9 2. i. n) ‘drift’ term (motion induced by electric field) (eq-2) ‘diffusion’ term (motion induced by density gradient) Note: from momentum conservation equation to drift-diffusion approximation… ∂mnu + ∇ ⋅ (mnuu) = qnE − ∇p − mnυmu ∂t Γ = nu = qnE ∇p q kT − = nE − ∇n mυm mυm mυm mυm (eq-6) (eq-7) = ± μ nE − D∇n .2 Governing equation-3 drift-diffusion approximation: Γ j = ± n j μ j E − D j ∇n j ( j = e.

1303 (2005) . 77.2 Governing equation-4 electron energy equation (EEE): ∂ ( neε ) ∂t 5 ⎛5 ⎞ + ∇ ⋅ ⎜ ε Γe − ne De∇ε ⎟ = −Γe ⋅ E − Qe-N 3 ⎝3 ⎠ electron heating (eq-3) change in time electron energy flux collisional energy loss collisional energy loss with background neutral: Qe-N = ∑ l Elth klr ni ni′ ni′′ me el kb k ne ng (Te − Tg ) +3 mg e (eq-8) inelastic loss (reaction.J. vibrational excitation) 3 eε = kbTe : electron temperature 2 elastic loss with background gas G. Mod. 14.. Hagelaar et al. Technol.. M. Plasma Sources Sci.10 2. Robson. Rev. et al.E. Phys. 722 (2005) R.

f (μ. m6s−1] f (ε) f (T) f (ε) 0 0 f (ε) f (ε) or f (T) f (ε) or f (T) . T) neutrals (n) 0 diffusion (D) [m2s−1] elastic collision rate coefficient (kel) [m−3s−1] inelastic collision rate coefficient (kr) [s−1. m3s−1.3 Necessary parameters-1 electron (e) mobility (μ) [m2V−1s−1] f (ε) ions (i) const.11 2.

12

2.3 Necessary parameters-2: electrons
collision cross section (with helium)
10
-19 -20 -21 -22 -23

σ [m ]

10 10 10 10

10

-2

10

-1

10 10 10 10 electron energy [eV]

0

1

2

3

10

4

Elastic 3 2S 1 2S 3 2P 1 2P 3SPD 4SPD 5SPD Ionization

Boltzmann equation ∂f e + u ⋅ ∇f − E ⋅ ∇v f = R( f ) for electrons: ∂t me
10
0

2

(eq-9)

EEDF

EEDF (electron energy distribution function)
If EEDF is Maxwellian…

10 10 10

-2

Actual EEDF is non-Maxwellian !

-4

-6

0

10

20 30 40 energy [eV]

50

60

13

2.3 Necessary parameters-3: electrons
parameters for electron (in He, 1 atm, and 300 K)
0.5 0.4 1.0

10 10

-12

diffusion mobility

0.8

-14

μ e [m /sV]

2

0.3 0.2 0.1 0.0 0.1
2 4 6 8 2 4 6 8 2 4

0.6 0.4 0.2 0.0

[m /s]

elestic collision excitation stepwise ionization
2 4 6 8 2 4

De [m /s]

3

10 10 10

-16

k
-18

r

2

ionization
6 8 2 4

-20

1 10 mean electron energy [eV]

0.1

1 10 mean electron energy [eV]

fitting functions or numerical lookup tables

μe = μe ( ε ) , De = De ( ε )
k el = k el ( ε ) , k r = k r ( ε )

from electron energy equation

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2.3 Necessary parameters-4: ion mobility
1. Experimental data from literature:
H.W. Ellis, et al, At. Data Nucl. Data Tables 17, 177 (1976 ) H.W. Ellis, et al., At. Data Nucl. Data Tables 22, 179 (1978) H.W. Ellis, et al., At. Data Nucl. Data Tables 31, 113 (1984) L.A. Viehland, et al., At. Data Nucl. Data Tables 60, 37 (1995)

2. Estimation from theory
μi =
3.6 × 10−3 1 + mg / mi
3 p mg (α / a0 )

ion mobility in helium [10−3 m2/Vs]

[m2 /Vs]
Bohr radius

(eq-10)

He+ N+ N2+ N4+ O+ O2+ He2+

1.16 2.19 2.28 1.60 2.25 2.18 1.83

NO+ N2O+ NO2+ H+ H2+ OH+ H2O+

2.15 1.84 1.78 3.39 2.69 2.69 2.28

[atm] [g-mol]

polarizability

Yu.P. Raizer, Gas Discharge Physics, (Springer, Berlin,1997) page 25

et al. At. 177 (1976 ) mi + mg mg ( μi E )2 kbTi kbTi Di = = μi . Ellis. Data Tables 17. Data Nucl.15 2.W. Ti = Tg + mυm qi 5mi + 3mg kb from (eq-7) (eq-11) effective heating from electric field effective ion temperature in He gas 100 Ti / Tg 10 N2 + He 1 10 4 2 4 6 8 + 6 8 10 10 electric field [V/m] 5 2 4 6 8 6 2 4 10 7 .3 Necessary parameters-5: diffusion of ions GER (generalized Einstein relation) H.

338 ΩLJ [-] 0.202 3.7367 0.7298 0.J.038 3.313 2.8092 0. Kee.888 0. Bird.937 2.6257 0.017 3.663 2.099 3.7487 0.7713 0.16 2. et al. Sandia Report SAND86-8246 (1986) .0985 ΩLJ [-] 0. et al.3 Necessary parameters-6: diffusion of neutrals classical gas kinetic theory mn + mg 3/ Dn = 1.8583 ×10−3 Tg 2 ⎜ ⎜ mn mg ⎝ [atm] ⎛ ⎞ ⎟ ⎟ ⎠ 1/ 2 Lennard-Jones radius [Å] 1 2 pσ LJ Ω LJ (eq-12) collision integral [-] σLJ [Å] H He N O H2O N2 2.576 2..017 3. New York.7898 R.7981 0.7546 0. 2002).7487 NO O2 H2O2 N2O NO2 O3 σLJ [Å] 3. Transport Phenomena (Wiley.591 3.755 0. page 526 R..B.

J. D 35.J. Phys.. Hagelaara. E 62. Rev. 14521454 (2000) Y. et al. et al.17 2. Phys.M. 751 (2002) . Golubovskii.B.4 Boundary condition-1 Boundary conditions for species continuity equations… electrons: Γ e ⋅ n = ne ions: neutrals: 1 4 8kbTe + α s′ μe ne E − α s ∑ γ i ( Γi ⋅ n ) (eq-13) π me i (eq-14) (eq-15) 8kbTi 1 Γi ⋅ n = ni + α s μi ni E π mi 4 8kbTn 1 Γ n ⋅ n = nn π mn 4 switching function αs = ⎨ ⎧ 1 (E ⋅ n ≥ 0) ⎩ 0 (E ⋅ n < 0) ⎧ 1 (E ⋅ n < 0) ⎩ 0 (E ⋅ n ≥ 0) (eq-16) E i e e n e n E i α s′ = ⎨ G.

31 4.1997) pages 68-71 . (Springer.09 0.0 eV) work function ϕ [eV] Al Fe Ni W Pt 4.4 Boundary condition-2 secondary electron emission coefficient from ions and metastables E i e e E i γ ~ 0.18 2.23 0.20 0.03 Yu.32 He* He+ He2* He2+ N+ γ 0.5 4.54 5.15 O+ N2+ O2+ N4+ O4+ γ 0. Berlin.P. Gas Discharge Physics.16 0. Raizer.1 0.25 4.016 E th − 2ϕ ( ) (eq-17) (semi-empirical formula) secondary electron emission coefficient (ϕ = 5.07 0.03 0.13 0.

5 2.8 0.0 x [mm] 1.0 x [mm] 1.0 0.4 Boundary condition-3 Boundary conditions for electron energy equation (EEE)… option 1: ε = const.0 eV) option 2: Γε ⋅ n = ⎢ε Γe ⋅ n − ε w ⎨α s ∑ γ i ( Γi ⋅ n ) ⎬⎥ ⎩ i 5⎡ 3⎣ ⎧ ⎫⎤ inward flux ⎭⎦ from secondary electrons (εw~5 eV) (eq-18) 1D RF discharge in helium (Φ = 320 V) 5 m ] 1.5 or 1.0 electron energy [eV] -3 ne (BC-1) ne (BC-2) 4 3 2 1 0 0.5 1. (0.0 ε (BC-2) [10 17 density ε (BC-1) 0.2 0.5 1.5 2.0 .0 0.19 2.4 0.

σs) dielectric gas E x 0 ld = ∑ q jΓ j j for perfect dielectric: Ed = − Φs − 0 Ld Ed .4 Boundary condition-4 Boundary conditions for Poisson’s equation… option 1: Φ = Φext at a powered conducting electrode =0 at a grounded conducting electrode option 2: on a dielectric surface ε 0 E = ε 0ε r Ed + eσ s dσ s dt from Gauss’s law (eq-19) (eq-20) interface (Φs.20 2.

21 2.0 .5 electric field [V/m] 1. 300 K 0.0 0.01 10 2 10 3 10 4 10 5 10 6 10 7 10 15 0.0 x [mm] 1.1 10 17 10 16 ne EEE LFA ni nn He.5 Local field approximation (LFA)-1 Two options to calculate mean electron energy… EEE: LFA: ∂ ( neε ) ∂t 5 ⎛5 ⎞ + ∇ ⋅ ⎜ ε Γe − ne De∇ε ⎟ = −Γe ⋅ E − Qe-N 3 ⎝3 ⎠ (eq-3) EEDF (F0) ε = ∫0 ε ′3 2 F0 d ε ′ ∞ ε = f (E) a fitting function or lookup table Electron energy dependence of field 10 10 18 comparison between EEE and LFA energy [eV] [m ] density Table Fitting -3 1 0. 1 atm.5 2.

22 2..R. Phys. Appl. J. D 42. 101. J.5 Local field approximation (LFA)-2 A problem of the LFA in atmospheric pressure plasmas… ne E ne μe E De∇ne e e x ∂ ( neε ) ∂t − Γe ⋅ E = − ( −ne μe E − De∇ne ) ⋅ E < 0 heating rate electrons are cooled by field…!? EEE: 5 ⎛5 ⎞ + ∇ ⋅ ⎜ ε Γe − ne De∇ε ⎟ = −Γe ⋅ E − Qe-N ~ 0 3 ⎝3 ⎠ Not negligible Y. 073306 (2007) V. Soloviev et al. Phys. 15208 (2009) . Sakiyama et al..

23 3.2 How to set up and run a model in COMSOL 3.3 COMSOL with a MATLAB script 3.1 Introduction 3.4 Example: plasma needle simulation (updated!) . Simulation using COMSOL and MATLAB 3.

i.l l ( j = e. i.24 3. instead of voltage? . n) (eq-1) (eq-2) (eq-3) (eq-4) e n Γ j = ± n j μ j E − D j ∇n j ( j = e. i.1 Introduction Problem setting ∂n j ∂t + ∇ ⋅ Γ j = ∑ R j . n) i 5 ⎛5 ⎞ + ∇ ⋅ ⎜ ε Γe − ne De∇ε ⎟ = −Γe ⋅ E − Qe-N 3 ∂t ⎝3 ⎠ ( j = e. n) ε 0∇ ⋅ E = ∑ q j n j j ∂ ( neε ) • How to set up and run a model in COMSOL? • How to evaluate the simulation results? • How to control the current/power.

) or general PDE form Matlab scripts offer more flexible control of COMSOL ( e. convection and diffusion.2 Setting up and running a model-1 General idea about COMSOL Multiphysics • A convenient and powerful platform to solve reactive plasma equations: usually sets of coupled.25 3. etc.g. solving equations sequentially and iteratively) • • • .g. Helmholtz equation. nonlinear PDEs (partial differential equations) with associated initial and boundary conditions Treat charged and neutral species as continuum fluids (fluid model) Use either predefined modules (e.

26 3. electron energy equation νε (~109) >> τRF−1 solve plasma equations .2 Setting up and running a model-2 Before starting to build a model… cross section 1. D e 2. drift-diffusion approximation νm >> τRF−1 solve Boltzmann equation νm: ~1011-1012 [s−1] for electrons ~109-1010 [s−1] for ions reaction rate μe.

Relative tolerance : 0. or PARDISO (memory efficient) Absolute tolerance: 0.27 3.0001.001 .2 Setting up and running a model-3 Step 1: Input constant parameters and variables Step 2: Draw simulation domain and generate meshes • use of symmetry (3D → 2D → 1D) Step 3: Add the governing equations and the boundary conditions • • • general PDE mode rather than predefined modules Lagrange quadratic element mostly works finer meshes at electrodes and coarser meshes at the center Step 4: Select time dependent solver • • UMFPACK (default linear solver).

28

3.2 Setting up and running a model-4
A few more tips before running the simulation…
Initial conditions: •continuity equation: low and uniform density (e.g. ~1012 m−3) •electron energy equation: low and uniform (e.g. ~1 eV) •Poisson’s equation: linear potential profile between electrodes Periodic steady state: •Running for 100-1000 RF cycles •Recording transient data of all variables to see the convergence at a fixed point (e.g. at the center)

Run the simulation!

29

3.2 Setting up and running a model-5
Transient behavior of variables at the center of gap (= 1 mm)
2.0
1.4

Phase-averaged properties after 500 RF cycles
5

ε
normalized variables
1.5

nn
1.2

ε
ne

ni

4

m ]

electron energy [eV]

-3 17

1.0 0.8 0.6 0.4 0.2

1.0

ne
0.5

ni

density

Φ

[10

3 2

nn

1 0 2.0

0.0

0

100

200

300

400

500

0.0 0.0

0.5

number of RF cycles

1.0 x [mm]

1.5

30

3.2 Setting up and running a model-6
load of the model
• number of meshes: ~250 • number of DOF: ~4000 60 RF cycles per hour (~5 hours until a steady state) memory usage: ~ 600 MB

computational environment
• CPU: dual AMD Opteron 250 • memory: 12 GB • OS: Linux (OpenSuse)

After running the simulation…
total current continuity: jtotal = ε 0
∂E + ∑ q j Γ j = const. ∂t j hμi E Di <~ 2 (eq-21) (eq-5′)

grid Peclet number (for ions): Pgrd =

mesh size dependency: doubling (or halving) the mesh size

3 COMSOL with Matlab-1 Example: a fixed current density solve for a single RF cycle A sample Matlab script to control the COMSOL solver calculate phase-averaged current density J total = 1 τ RF ⎛ τ RF ∫ 0 ⎜ε0 ⎜ ⎝ ⎞ ∂E + ∑ q j Γ j ⎟dt (eq-22) ⎟ ∂t j ⎠ adjust magnitude of the voltage Φ′ = Φ + c0 J goal − J total ( ) (eq-23) .31 3.

0 0.5 0.5 current control 1.3 COMSOL with Matlab-2 V-I curve predicted by a fluid model 2.32 3.0 lost convergence voltage control 0 100 200 300 400 500 voltage amplitude [V] .0 current density [mA/mm ] 2 1.

4 Plasma needle-1 Images of plasma needle discharge with surface without surface E. B167 (2004) Applications in biomedicine •power: <1W • voltage: ~300Vpkpk • frequency: 13.56MHz • gas: helium http://medicalphysicsweb.org/ .. Stoffels et al.33 3. Fusion 46. Plasma Phys. Control.

56 MHz) 1 mm axis of symmetry .000 ∼ 90.000 ∼ 5.000 Shape function: Lagrange-quadratic Number of DOF: 70.000 1 mm φ = 30 μm needle RF (13.34 3.4 Plasma needle-2 Mesh size: 3 ∼ 140 μm Number of mesh: 3.

8 0.8 1.4 1.4 0.4 Plasma needle-3: discharge at 1 mW [1017 m-3] 2 1.6 1.6 0.35 3.2 1 1015 1016 1017 0.2 0 .

2 0.1 Idsp Ie Itotal 0.0 z [mm] ft .2 0.8 1.0 0.36 3.0 19 density [m ] 10 10 10 10 18 current [mA] electron He* He+ He2* He2+ N2+ 0.0 0.0 17 Iion -0.0 1.0 0.5 15 0.6 0.4 0.4 0.2 0.1 16 Vext -0.4 Plasma needle-4: discharge at 1 mW Phase-averaged particle density 10 10 20 Current properties 0.2 1.6 0.5 normalized voltage -3 0.0 -0.8 -1.

00 0.10 0.37 3.20 z [mm] 0.00 0.10 0.30 [1025 m-3s-1] 0 2 4 6 8 10 .20 z [mm] joule heating inelastic loss elastic loss 0.4 Plasma needle-5: discharge at 1 mW 16 electron energy [eV] electric field [10 Vm ] ionization rate on the symmetry axis 0 12 -20 8 -40 4 -60 0 0.30 5 Sheath -1 heating rate [10 Wm ] -3 9 4 3 2 1 0 -1 0.

2 1 0.4 Plasma needle-6: discharge at 100 mW [1019 m-3] 2 1.6 0.4 1.38 3.2 0 .8 1017 1.8 1018 1019 1018 1019 0.4 0.6 1.

0 Ie 0.0 16 0.0 1.0 20 10 10 10 10 19 current [mA] density [m ] -3 electron He* He+ He2* He2+ N2+ 0.4 0.2 ft .5 0.2 0.5 0.8 1.4 0.4 Plasma needle-7: discharge at 100 mW Phase-averaged particle density 10 10 21 Current properties 1.6 0.5 1.0 -1.8 -1.39 3.0 0.5 normalized voltage Idsp 0.0 1.5 17 Itotal Vext 0.5 -1.0 0.0 -0.0 18 Iion -0.6 z [mm] 0.

40 3.7 [1027 m-3s-1] 0 3 6 9 12 15 11 0.8 z [mm] joule heating inelastic loss elastic loss -150 0.7 heating rate [10 Wm ] -3 100 50 0 -50 -100 0.00 0.20 1.05 0.20 1.9 0.0 electric field [10 Vm ] electric field [10 Vm ] 5 Sheath -1 4 3 2 1 0 -1 0.4 Plasma needle-8: discharge at 100 mW electron energy [eV] ionization rate on the symmetry axis 20 15 10 5 0 0.05 0.10 0.15 z [mm] 0.15 0.10 0.9 0.8 0.0 .00 0.

000 1 Treated surface 1D spherical 3 μm 200 1/50 .41 3.4 Plasma needle-9: from 2D to 1D 1.5 mm Treated surface 1 mm Needle Needle tip 1 mm 2D axisymmetric Minimum mesh size Number of finite element relative computational cost 3 μm 4.

2 0.2 0.0 distance from inner electrode [mm] distance from inner electrode [mm] .4 Plasma needle-10: 1D spherical model < low power (1 mW) > 10 20 < high power (1000 mW) > 10 22 10 19 metastables density [m ] -3 10 21 density [m ] metastables 10 18 -3 10 20 10 17 positive ions 10 19 positive ions 10 16 10 18 electrons 10 15 electrons 0.0 0.6 0.0 10 17 0.0 0.6 0.4 0.8 1.8 1.42 3.4 0.

4 0.8 1.0 .43 3.2 0. E.0 distance from the inner electrode [mm] Photo: collaborative work with Dr.4 Plasma needle-11: 1D spherical model < phase-averaged total ionization rate > 10 10 ionization rate [m s ] -3 -1 28 1 mm He 1000 mW 300 mW 100 mW 27 10 10 10 10 10 26 25 24 23 He (He flow: 2 m/s) 0.Stoffles in Eindhoven University of Technology 22 0.6 0.

4 0.6 0.6 0.8 1.2 0.4 0.8 1.44 3.2 0.0 0.0 distance from inner electrode [mm] distance from inner electrode [mm] .0 10 17 0.4 Plasma needle-12: 2D and 1D 10 20 < low power condition > 10 21 < high power condition > metastables 10 density [m ] -3 19 metastables density [m ] -3 10 20 10 18 positive ions 10 19 10 17 10 electrons 18 electrons positive ions 10 16 0.0 0.

8 1.45 3.0 0.4 Plasma needle-13: 2D and 1D Power-voltage curve 2D axisymetric 1D spherical Time-averaged density electron He2* density [m ] 10 10 10 10 10 21 20 19 18 17 21 20 19 18 17 He* He2+ He+ N2+ 20 -3 1D spherical power [mW] 15 10 density [m ] 10 10 10 10 10 5 0 -3 2D axisymmetric (on the axis) 80 120 160 200 voltage amplitude [V] 0.0 .6 z [mm] 0.2 0.4 0.

3 Example-1: simplified chemistry model for helium with impurity 4. Plasma chemistry at atmospheric pressure 4.5 Tips for simulation with detailed chemistry model (advanced) .1 Introduction 4.4 Example-2: plasma chemistry in air 4.46 4.2 Chemical reactions in fluid model 4.

IEEE Trans. Technol. et al. Plasma Sources Sci...1 Introduction Mass spectrometry in helium plasma needle discharge E.. Stoffels. 36. 1441 (2008) . 15.47 4. Stoffels et al. Plasma Sci. 501 (2006) E.

D e reaction rate coefficients for neutrals/ions solve plasma equations .48 4.2 Chemical reactions in fluid models-1 Maxwellian? Yes! • classical gas kinetic theory • transition state theory • empirically… k r = c0T c1 exp(− E th / kbT ) (eq-24) No… (= electrons) cross sections for various species and paths solve Boltzmann equation various electron impact reaction rate coefficients (c1= 0: Arrhenius equation) μe.

2 Chemical reactions in fluid models-2 A + e → A* + e A + e → A+ + 2e A* + e → A+ + 2e A2 + e → A + A + 2e A* + A* → A+ + A + e A* + B → B+ + A + e A+ + e + M → A + M A + e → A− A− + B → A + B + e A+ + B → A + B+ A+ + B− + M → A + B + M A+B+M→C+D+M f(ε) f(ε) f(ε) f(ε) f(Tg) f(Tg) f(ε) f(ε) f(Tg) f(Tg) f(Tg) f(Tg) electron impact excitation electron impact ionization stepwise ionization electron impact dissociation associative ionization Penning ionization electron recombination electron attachment electron detachment charge transfer ion recombination neutral-neutral reaction f(ε): rate constant obtained by solving Boltzmann equation .49 4.

• L. J. 667 (1988). Chem.al. Phys. D 21. Rev. 2836 (1985). 25 (1983). Capitelli. 1445 (1971). J. Phys. Phelps in JILA (http://jila.edu/~avp/) • Cross sections available in BOLSIG+ • GAPHYOR online database (http://gaphyor.W.M. 77. • H. Mark.. Collins.al.u-psud.2 Chemical reactions in fluid models-3 Resources for reaction rate coefficient and cross sections data set • Cross section data set by A.colorado. J. • C. J. 219 (1962).. D. 1804 (1981).lpgp. et al. At. Ellis. 83. Berlin.B. Mass Spectrom. Plasma kinetics in atmospheric gases (Springer...M.fr/) • M. 75. Phys.W.M. 52. • J. Int. • J. J. et. 128. • J. Phys. et al. 2000). • T.50 4. Data Tables 22. Data Nucl.al. J. Phys. Chem. et al.. et al. Pouvesle. et. Ion Phys. 68. Chem. et al. Emmert. 1391 (1978). . Chem.. Rev.V. 179 (1978). et. Parker. Phys. Bohringer. • F. A 4. Chanin. et al. Phys. • H. 817 (1982). Pouvesle.

Appl. Plasma Chem. Phys. Rauf. Voronov. • I. • I Stefanovic et al. Phys. Phys. et al. 459 (2001).. Appl. • G.. Matzing.. Astron. Data 26. etc… . J. • O.. 1469 (1999). A 47.2 Chemical reactions in fluid models-4 • H.A.C. Rev. Chem. et al.L. • C. • M. Chem. • V. et al. Williams. 88.G. et. Anicich.D. Phys. Mon. 21. et. et al. Stalder. 4781 (1997). 6538 (1993). Pintassilgo et al. 235 (2000).T.al. Phys. Plasma Process. et al. Data 22. Technol. Hill. Phys.. • S. Kushner. • K.51 4. Plasma Process. • R. • J. 74. Data Nucl. etc. 315 (1991).al.. NIFS DATA-51 (1999). Ref. Technol.. 207 (1992). Chem. Atkinson. 413 (1996).W. Plasma Sources Sci.S. etc. et al. Kossyi. 844852 (2002). • P. At. Adv. J. J. Tawara. Jpn. J. Plasma Sources Sci. 1 (1997). Eichwald. J. et al. J. J. • R. Appl. Soc. 80. Ref. • L. Data Tables 65. 1329 (1997). et al. R. Dorai.. Sieck. J. 417430 (2005). 4837 (1993). et al. Appl. • T. Not. Phys. 406416 (2001). et al.J. 282. Phys. Phys. Phys. J. 10. 666 (2003). D 38. 093301 (2006). Appl.. Herron. • H. 41. 82. Tochikubo. Phys. 99. 1.R. 20.. • F.. 3460 (1999). D 36.. Plasma Chem.

Surf. 112.. Ricard et al. 1 (1999) .3 Helium plasmas with impurity-1 He DBD for material processing OES in helium glow DBD measured waveform A. Coat. Tech.52 4.

J.53 4...3 Helium plasmas with impurity-2 Index R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 Reaction He + e → He* + e He + e → He+ + 2e He* +e→ He+ + 2e He* + 2He → He2* + He He+ + 2He → He2+ + He He2 + M → 2He + M 2He* + * He R1 R2 He+ + R3 e He* R7 R4 He2* R10 R11 N2+ + e R8 He2+ + e → He2 + e He* + He + 2He2* → He2+ + 2He + e He2 + e → He* + N2 → N2+ + He + e He2* + N2 → N2+ + 2He + e He2+ + N2 → N2+ + He2* N2+ + e → N2 Y B. 101. Phys. 073306 (2007) . D 36. et al. Golubovskii. Appl. J. 39 (2003) Y. Sakiyama et al. Phys.

31. IEEE Trans. Plasma Sci. 495 (2003) .. Martens et al.3 Helium plasmas with impurity-3 Particle density distributions with 0. Phys. Appl.5ppm N2 (helium RF) Volume-averaged particle density for different impurity level (helium DBD) T. et al.54 4. 041504 (2008) X. Yuan.. Lett. 92..

H. N2. H2. O3−. O2. OH−. N2O. N2**. O. N2+. OH. O4−. H3O+ • 21 neutrals/radicals: N. N2*. OH+. NO2−. NO2+. H3+. O4+. O2+. H+. N4+. N2O5. N3+. N2O−.4 Plasma chemistry in air-1 48 species • 11 negative particles: e. O2−. O2*. H2O+.55 4. H2+. NO−. O−. N2O+. H2O. HO2. O+. NO3. O3. NO3− • 16 positive particles: N+. NO+. NO. H2O2 630 reactions • 21 electron impact excitation/ionization/dissociation • 76 electron recombination/attachment • 159 charge transfer • 245 ion recombination • 129 neutral-neutral reactions . NO2. H−. O*. N*.

comsol3.56 4. US Max-Planck.l l on (100 ns) E = 3×106 V/m ne = 1017 m−3 1 cycle (100 μs) . US Berkeley.5a) ∂n j ∂t = ∑ R j .4 Plasma chemistry in air-2 Various air DBD devices for biomedicine Drexel. DE Model description • pulse-like plasmas • 0D simulation (spatially uniform plasmas) • pressure: 1 atm • gas temperature: 300 K • gas concentration: air with 30% humidity • computational time: ~10 hours (Dual Opteron 250. 12GB Mem.

57 4.4 Plasma chemistry in air-3 time development of species density (in periodic steady state) 10 10 10 0 -1 -2 -3 -4 -5 -6 -7 -8 -9 Ox NxOy neutrals positive ions negative ions density fraction 10 10 10 10 10 10 10 HxOy Nx + HxOy + Ox Ox HxOy - - NxOy - electron -7 -5 10 -9 10 time [s] -7 10 -5 10 -9 10 time [s] -7 10 -5 10 -9 10 time [s] 10 .

58 4.4 plasma chemistry in air-4 phase-averaged species density (in periodic steady state) 10 10 10 0 -1 -2 -3 -4 -5 O3 density fraction 10 10 10 10 10 10 O2 H2 N O OH NO * H2O2 HO2 N2O NO2 N2O5 -6 -7 -8 NO3 (charged particle density < 10ppb) .

4 plasma chemistry in air-5 Ozone reaction paths 3%: NO + O3 → NO2 + O2 4%: O2* + O3 → O + 2O2 6%: e + O3 → O + O2 + e 74% O + O2 + M → O3 + M 6%: O3 + OH → HO2 + O2 .59 4.

4 plasma chemistry in air-6 NO reaction paths 4%: N + OH → NO + H 41%: NO + O3 → NO2 + O2 5%: NO + HO2 → NO2 + OH 8%: N* + O2 → NO + O* 30%: O + NO2 → NO + O2 .60 4.

4 plasma chemistry in air-7 NO2 reaction paths 4%: NO + HO2 → NO2 + OH 7%: O + NO2 + M → NO3 + M 8%: NO2 + NO3 + M → N2O5 + M 29%: O + NO2 → NO + O2 40%: NO + O3 → NO2 + O2 .61 4.

4 plasma chemistry in air-8 O2 O e.62 4. O2* O3 OH N HO2 NO2 O NO3 N2O5 NO N* .

Dual Opteron 250 wait for a few months until reaching steady state? .63 4. RF excitation • 12 GB.5 Tips for complex chemistry model-1 Before starting simulation with hundreds of reactions… ∂n1 1 + ∇ ⋅ Γ1 = R1 + R12 + K + R1Nr ∂t ∂n2 N 1 2 + ∇ ⋅ Γ2 = R2 + R2 + K + R2 r ∂t M ∂nNs N 2 + ∇ ⋅ Γ Ns = R1 s + RNs + K + RN r N s ∂t Ns highly nonlinear problems (stiff problem) heavy computation Nr For example… • 40 species/700 reactions (air) • one-dimensional.

Rev. t ) = klr nl ′ nl ′′ (eq-1′′ ) ⎞ ⎟ ⎟ ⎠ (eq-25) d ∂n ∂R ⎛ ∂R ∂R ∂t = =⎜ + ⎜ dt ∂klr ∂klr ⎝ ∂klr ∂t ∂klr dS jl ∂R ∂R S jl = 0 = r + dt ∂kl ∂n j (steady state assumption) ⎞ ⎛ ∂R ∂R ∂n j ⎟=⎜ r + r ⎟ ⎜ ⎠ ⎝ ∂kl ∂n j ∂kl (eq-26) S jl = ∂n ∂klr sensitivity coefficient ⎛ ∂R S jl = − ⎜ ⎜ ∂n j ⎝ (j×l) matrix ⎞ ⎟ ⎟ ⎠ −1 ∂R ∂klr (eq-27) (l×1) matrix • low computational load • perturbation around equilibrium state • sensitivity ≠ dominant reaction path H. Ann. 34. Phys.5 Tips for complex chemistry model-2 To reduce the computational time… 1. Rabitz et al.64 4. 419 (1983) . Sensitivity analysis dn j dt + ∇ ⋅ Γ j = R (klr . Chem.

g. given ne. ε) dn j dt + ∇ ⋅ Γ j = R(klr .65 4.g. t ) = klr nl ′ nl ′′ (eq-1′′ ) calculate contribution matrix (normalized reaction rates for each species) species ⎡ R11 L R1Ns ⎤ ⎢ ⎥ O M ⎥ Λ lj = ⎢ M ⎢R ⎥ ⎣ N r 1 L R Ns N r ⎦ normalized reaction (eq-28) • medium computational load • directly evaluating reaction rate • need of finding typical conditions eliminate unimportant reaction paths (e. 1% threshold) . Reference calculation solve ODEs in several typical conditions (e.5 Tips for complex chemistry model-3 To reduce the computational time… 2.

4 Example-2: RF plasma needle and flow (two-way coupling) .3 Example-1: Plasma jet and flow (one-way coupling) 5.1 Introduction 5. Neutral gas dynamics 5.66 5.2 Interaction between neutral gas flow and plasmas 5.

thin film deposition. UK • gas: rare gas.67 5. US • application: etching.1 Introduction Loughborough. NL Old Dominion. air. Microwave Greifswald. GE Eindhoven. RF. hydrocarbon • power: DC. biomedicine air feed gas plasmas .

2002) ..68 5. Bird. New York. no thermal radiation Re = ud υ < Rec (~ 2000 : inside a tube) Governing equations for neutral gas flow: total mass conservation: ∇ ⋅ ( ρu ) = 0 ∇ ⋅ −λ∇T + ucpT = Qη ∇ ⋅ ( ρωair u − ρ D∇ωair ) = 0 p = ρ RT (eq-29) (eq-30) (eq-31) (eq-32) (eq-33) total momentum conservation: ∇ ⋅ ( ρ uui ) = −∇p − ∇⋅τ − ( ρ − ρ0 ) g total energy conservation: mass conservation of air: perfect gas law: ( ) (need compressible N-S equation !) R.2 Plasma-flow interaction-1 Assumption: laminar flow. et al.B. Transport Phenomena (Wiley.

69 5.2 Plasma-flow interaction-2 neutral gas heat and mass transfer model • gas temperature • gas velocity • gas component • momentum transfer • energy transfer plasma fluid model • background gas density • mobility and diffusion coefficients for electrons/ions • diffusion coefficients for neutrals • reaction rate coefficients (including elastic energy loss) • flux of species .

Leiby. 97. kb∇(neTe ) > others J. Boeuf et al. 1992 (1967) J-S Chang.. 103307 (2005) C. Fluids 10. e ⎩ ⎭ Under typical conditions: qi ni E > qe ne E. Diel.C. 871 (1994) .P. e (eq-6) = ∂m j n j u j ⎧ ⎫ q j n j E − ∇p j − − ∇ ⋅ (m j n j u j u j ) ⎬ ∑⎨ ∂t j =i .70 5. 1.2 Plasma-flow interaction-3 Momentum transfer from plasmas to neutral gas flow body force (ion wind): f pls ~ qi ni E from ions (eq-34) E N N i N N ∂mnu + ∇ ⋅ (mnuu) = qnE − ∇p − mnυmu ∂t f pls = ∑ mn jυm. Electr. j u j j =i . Insul. IEEE Trans. Appl. Phys. Phys. J.

71 5. ions. and neutrals external electrical power P = qe Γe ⋅ E + qi Γi ⋅ E (=Joule heating) source terms for EEE source terms for IEE Se = qe Γe ⋅ E − Qe-N − Qe-i elastic collision Si = qi Γi ⋅ E + Qe-i − Qi-N Qi-N ~ qi Γi ⋅ E + Qe-i (~ 0) Qpls = Qe-N + Qi-N + QN-N = Qe-N + qi Γi ⋅ E + Qe-i + QN-N from plasmas to neutral .2 Plasma-flow interaction-4 Energy transfer from plasmas to neutral heating source: Qpls ~ Qe-N + qi Γi ⋅ E + QN-N electrons (eq-8) ions (eq-35) chemical reactions Energy transfer between electrons.

2 Plasma-flow interaction-5 Assumption: heat/mass transfer from neutral ( < ~10−3 s) >> τRF (external electric field oscillation) solve time dependent plasma equations for one RF cycle f pls = 1 τ RF τ RF ∫ 0 qi ni Edt .72 5. Qpls = 1 τ RF τ RF ∫ 0 qi ni E ⋅ dt solve steady state neutral gas flow equations .

J. Merciam-Bourdet et al. Teschke et al.Larousi. J. 33. Plasma Sci. 310 (2005) N. 100. 063302 (2006).3 Plasma jet-1: introduction X. Observed ring-shaped emission pattern M. D 42.Liu and M. Phys.73 5. Appl. IEEE Trans. Phys. 055207 (2009) .

74 5.3 Plasma jet-2: one way coupling • He: 7 slpm • 7 kV pulse excitation • 8 kHz repetition r N2 He 2D steady state neutral gas flow N2 density distribution N2 density c 1D plasma dynamics in cylindrical coordinates (cross sectional view) r .

1 0.5 2.0 0.0 r [mm] 1.4 mole fraction of N 2 0.3 Plasma jet-3: neutral gas flow 0.0 ( ) : total momentum continuity Mole fraction of air 20 r [mm] z N2 rich 10 He channel 0 -20 -10 0 10 20 30 40 50 He rich .2 0.0 Compressible N-S equation ∇ ⋅ ( ρu ) = 0 : total mass continuity ∇ ⋅ ρωN2 u − ρ D∇ωN2 = 0 : continuity for N2 ∇ ⋅ ( ρ uui ) = −∇p − ∇⋅τ 0.75 5.5 1.3 0.

He+. N2+ nN2 • rate coefficients: from local Boltzmann equation (local field and N2 concentration) He channel 0 • pressure: 1 atm r • temperature: 300 K • solver: COMSOL and Matlab Fluid model with local field approximation ∂ni 1 ∂(rΓi ) + = Si ∂t r ∂r (mass continuity) ∂ni Γi = sgn(qi ) ni μi Er − Di (drift-diffusion) ∂r 1 ∂(rEr ) = ∑ qi ni (Poisson’s eq. He2*. He*. in r-direction) ε0 r ∂r i .76 5.3 Plasma jet-4: plasma dynamics N2 • species: e. N2*. He2+.

77 5.3 Plasma jet-5: given electric field nN2 r Ez 0 r Given electric field (not self-consistent!) Ez = 3×105 V/m 400 ns 0 125 μs (8 kHz) reaction rate: E= Er + Ez 2 2 Poisson’s eq. given k = f (E) .

3 Plasma jet-6: time evolution of bullet given electric field particle density distribution in radial direction .78 5.

79 5.3 Plasma jet-6: time evolution of bullet .

5 1.0 0.5 1.0 .3 Plasma jet-7: Penning ionization is a key Ez [10 V/m] 4 3 2 1 0 5 0 200 400 time [ns] 600 800 1000 10 10 29 early stage (200 ns) excitation direct ionization Penning ionization 10 10 29 late stage (400 ns) excitation direct ionization Penning stepwise associative 28 28 reaction rate [m s ] 10 10 10 10 10 27 reaction rate [m s ] -3 -1 -3 -1 10 10 10 10 10 27 26 e He* He He2* N2+ N2 e 26 25 25 24 24 23 23 0.0 0.80 5.5 2.0 r [mm] 1.5 2.0 0.0 r [mm] 1.

3 Plasma jet-8: for comparison with simulation Time resolution: 1 ns Spatial resolution: ~50 μm inner diameter: 3 mm amplitude : 7 kV pulse width : 2 μs repetition rate : 8 kHz Helium flow: 7 slpm .81 5.

3 Plasma jet-9: ionization = emission? 6000 5000 + + B2 Σ u → X 2 Σ g OH N2 N2 + 3 S . D → 2 S .82 5. He2* (40%) kPen He2+ (75%) kchg Emission rate = kem ~ kPen+ kchg (kem >> kPen. P He He He O intensity 4000 3000 2000 1000 0 N2 + N2 + He 500 600 700 He 800 300 400 wavelength [nm] N2+(B) He*. kchg) kem N2+(X) kex kem 3SPD e 2P 2S Emission rate = kem ~ kex (kem >> kex) ~ kiz (kiz ~ kex) Effective emission rate = kiz + kPen+ kchg . P.

0 -2 -1 0 r [mm] 1 2 . 96 (2010) 041501 r z 0 1. Phys.6 0.4 0. Sakyiama et al.2 0.3 Plasma jet-10: ring shaped pattern Y.83 5.0 20 mm 40 mm integration time for OES: 100 ms (800 bullets) OES 0. Lett. Appl.8 Model normalized intensity 0.

3 m/s 1. 1317 (2006) (Images courtesy of Prof.5 ~ 4 mm light intensity 0. 3479 (2006) and IEEE Trans.Goree. 34. John Goree) . J.84 5.4 Plasma needle-1: introduction • RF(13.0 m/s 1 2 3 4 radial position 5 6 7 8 1 2 3 4 radial position 5 6 7 5 mm Killing pattern J. 39.56 MHz)-excited • gas: He • gap distance: 2. et al. Phys.Plasma Sci. D.

∇ ⋅ ( ρωair u − ρ D∇ωair ) = 0 ∇ ⋅ ( ρ uui ) = −∇p − ∇⋅τ + ∑ qi ni E ∇ ⋅ −λ∇T + ucpT = Φ + ∑ qi Γi E + Qel (mass conservation) (energy conservation) (momentum conservation) ( ) air (diffusion) Plasma dynamics ∂ni + ∇ ⋅ Γi = Si ∂t Γi = sgn(qi ) ni μi E − Di ∇ni + ni u ∂ ( neε ) (mass conservation) (drift-diffusion) 5 ⎛5 ⎞ + ∇ ⋅ ⎜ ε Γe − ne De∇ε ⎟ = −Γe ⋅ E − Q (electron energy) 3 ∂t ⎝3 ⎠ (Poisson’s equation) ε 0∇ ⋅ E = ∑ qi ni Y. Plasma Sources Sci.4 Plasma needle-2: two-way coupling Neutral Gas flow He flow ∇ ⋅ ( ρ u ) = 0. Sakyiama et al. Technol. . 025022 (2009). 18.85 5.

86 5.5 m/s) 1 mm needle N2 (1atm) 2.4 Plasma needle-3: neutral gas flow He (1.5 mm z r 5 mm insulator N2 (1atm) Unknown variables He/N2 concentration gas pressure glass plate 5 mm gas flow velocity (r and z) gas/needle temperature .

N2+ electron energy electrical potential . glass plate 2 mm He2*.5 mm 1 mm Unknown variables density: electron. He+.4 Plasma needle-4: plasma dynamics needle 0.85 mm insulator 1. He2+.87 5. He*.

88 5.4 Plasma needle-5: gas flow field Mole fraction of air (log scale) Gas temperature .

5 0 z [mm] He2+ 1018 N2+ -0.5 1016 2 -1 0 0.5 1 r [mm] 1.5 0 z [mm] electrons 1019 He* -0.5 1 r [mm] .89 5.4 Plasma needle-6: particle density 0.5 2 0 0.5 1018 1017 1018 1016 1018 1017 1016 -1 0.5 1017 1016 1017 1.

5 1 r [mm] 1.5 Experimental results by J.5 -1 0 0.8 .90 5.2 0.6 0.4 0.4 Plasma needle-7: ring-shaped emission! Predicted emission intensity 0. Goree et al insulator needle e He* He He2* N2+ N2 e He gap: 3 mm 0 z [mm] He -0.5 [1023 2 m-3s-1] 1 4 mm 0 0.

mutans off-axis (2mm gap) nair/nHe<10-5 S.4 Plasma needle-8: one-way coupling (again) humid air concentration: 2D neutral flow simulation (N-S equation. convection-diffusion) 1D fluid model with detailed chemistry in spherical coordinates on-axis on-axis (1mm gap) Humid air concentration needle Insulator tube off-axis nair/nHe>10-3 S.91 5. mutans Which is the major species hitting the surface? .

0 0.5 2.OH+ 19 18 18 17 NO+ 17 16 16 0.4 0.0 1.0 0.N2+ density [m ] -3 10 10 10 10 10 20 He2+ N+.92 5.H+.5 1.8 1.4 Plasma needle-9: charged particle density on-axis (1mm gap) 10 10 21 off-axis (2mm gap) 10 21 20 He2+ O+ N+.6 0.0 0.0 r [mm] r [mm] .O2+ density [m ] -3 10 10 10 10 19 H2O+.2 0.N2+ NO+ O+.

O2* N.O*.0 r [mm] r [mm] .OH.N2* density [m ] -3 10 10 10 10 19 19 18 H.H2 17 17 16 16 0.O2* density [m ] -3 10 10 10 10 10 20 He*.4 Plasma needle-10: neutral density on-axis (1mm gap) 10 10 21 off-axis (2mm gap) 10 21 20 N.0 0.2 0.H2 18 NO H.5 1.N*.N2* He*.4 0.OH.0 1.93 5.6 0.He2* O.0 0.N*.0 0.8 1.He2* O.O*.5 2.

94 5.4 Plasma needle-11: reaction kinetics On-axis (1mm gap) Off-axis (2mm gap) He* He* N2+ He2* e He2+ N2+ O2+ N2** N2* O O* N* N O2* H2O+ O2+ e H OH NO .

4 Plasma needle-12: flux to a surface 12 flux [10 m s ] -2 -1 10 8 6 4 2 0 On-axis (1mm gap) S.95 5. mutans e He2 + 19 N2 + O2 + 12 O flux [10 m s ] -2 -1 10 8 6 4 2 0 Off-axis (2mm gap) S. mutans 19 e H N OH H2O N + 2 NO + O2 + O2 * .

M. Hagelaar in LAPLACE ( G. HPEM: • • solver for low pressure plasma processing reactors (ICP. 14. ECR.J.kinema. Available codes for plasma simulation-1 1.eecs.96 6. Technol.edu/) . Bolsig+: • • • Boltzmann solver for electrons freeware developed and managed by Dr.umich.. Michigan (http://uigelz. Hagelaar et al. ELENDIF: • • Boltzmann solver Kinema Research & Software (http://www. 722 (2005)) 2.com/) 3. Plasma Sources Sci. etc) developed and managed by CPSEG in U. RIE.

CFD-ACE+: • • • general PDE solver plasma physics module available ESI Group (http://www. Available codes for plasma simulation-2 4.97 6. (http://www.1 Comsol.com/) 6. ANSYS Fluent: • • • general fluid dynamics solver applicable to low pressure CVD simulation ANSYS Inc. (http://www.comsol.esi-group.ansys. Inc. COMSOL Multiphysics: • • • • FE (finite element) solver ~20 pre-defined application modules from fluid dynamics to mechanics plasma module included in the latest version 4.com/) 5.com/) .

com/) 10. OOPIC Pro: • • PIC solver Tech-X corp.eecs.berkeley.kinema. XPDP1. XPDP2. VORPAL. (http://www.mrcwdc. SIGLO and SIPDP series: • • plasma fluid solver in 1-D and 2-D from AC to RF Kinema Research & Software (http://www.edu/) 9.com/LSP/) .txcorp. Available codes for plasma simulation-3 7. XPDS1: • • • particle-in-cell (PIC) solver freeware developed and managed by PTSG group in UC Berkeley (http://ptsg.com/) 8. (http://www.98 6. LSP Suite: • • 2-D and 3-D PIC solver Alliant Techsystems Inc.

m6s−1 ] kel: elastic collision rate coefficient [m3 s−1] kb: m: n: p: Boltzmann constant (=1.81) [m s−2] current density [A m−2] grid size [m] kinel: reaction rate coefficient [s−1.38×10−23) [J K−1] mass [kg] density [m−3] pressure [Pa] Qpls: heating from plasmas [W m−3] Qe-N: collisional energy loss [W m−3] Qη: viscous heat dissipation [W m−3] .60×10−19) [C] Eth: ionization/excitation energy [eV] fpls: body force from plasmas [kg m s−2] g: J: h: gravity (= 9. m3s−1.99 Notation cp: specific heat [J kg−1 K−1] R: S: t: T: reaction rate [m−3s−1] sensitivity coefficient time [s] temperature [K] D : diffusion coefficient [m2s−1] e: electron charge (=1.

85×10−12) [CV−1m−1] E: electric field [V m−1] Γ: flux [m−2s−1] n: unit surface vector [-] τ: stress tensor [Pa] u: neutral gas velocity [m s−1] εr : dielectric constant Φ: electrical potential [V] γ: secondary electron emission coefficient [-] ϕ: work function [eV] λ: thermal conductivity [W m−1 K−1] τRF: RF period [s] μ : mobility [m2 V −1 s−1] ρ: neutral gas density [m−3] σs: surface charge [Cm−2] Subscripts e : electron i : heavy positive ions n: neutrals g: background gas νm: momentum transfer collision frequency [s−1] νε: electron energy relaxation frequency [s−1] ωair:mass fraction of air .100 Notation-2 ε : mean electron energy [eV] ε0 : vacuum permittivity (=8.

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