parallel dsmc gas flow simulation of an in-line coater for
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Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Andreas Pflug, Michael Siemers, Bernd Szyszka
Fraunhofer Institute for
Surface Engineering and Thin Films IST
Bonn,
September 20, 2006
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Parallel DSMC Gas flow Simulation of an In-line Coater for Reactive Sputtering
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
1. Introduction
2. Details of parallel DSMC implementation
3. DSMC model of an in-line coater
4. 3D Gas flow simulation with moving
glass substrates
5. Conclusion
Outline
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
1. Introduction
2. Details of parallel DSMC implementation
3. DSMC model of an in-line coater
4. 3D Gas flow simulation with moving
glass substrates
5. Summary and outlook
Outline
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Reactive magnetron sputteringSketch of an in-line sputtering compartment and a magnetron
Magnetron Compartment of an in-line sputtering coater
Introduction / Motivation
N S S N N S S N+ / - - / +
to MF generator
Transport system
Glass substrate
Shielding Shielding
Vacuum Vacuum
Gas inlete. g. Ar, O , ...2
Target-Material
Gas inlete. g. Ar, O , ...2
N S S N
B B
E E E
a) Cross section through a magnetron sputtertarget
b) Erosion track on target surface
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Goals for simulation of reactive magnetron sputtering
� Process stability - Feedback control for non-stable transition mode- Coupling of magnetrons- Pumping speed, noise and latency times
� Homogeneity - Lateral homogeneity: influence of substrate movement- Vertical homogeneity: magnetron drift current
� Productivity - Fast access of operation conditions after maintenance or product change
Introduction / Motivation
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Concept of DOGMADynamic, spatially resolved, coupled, macroscopic model
Monte Carlosimulation
DSMC - Gas flow
Monte Carlosimulation
PIC-MC plasmaSputter particles
Balance between surface and volume
Berg‘s Model1986
Surfacechemistry
Pressuredistribution
Surface metallization
Flowconductances
Time consumingMC calculations(initial step)
Runge-Kutta integration (fast!)
Heuristic modelof the plasmaimpedance
Introduction / Motivation
���� A. Pflug et al.; Thin Solid Films 442(2003) 21-6.
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Gas flow modelsPressure regimes
(nach Bird 94)
Kn = /dλ
100.10.01 1.0 100 ∞0
Navier StokesEuler
Boltzmann transport equationBoltzmann transportequation withoutcollision treatment
Typical processconditions
Limit of free particles
Fluid limit
DSMC Method
FEM flow simulation
���� G. A. Bird, Molecular gas dynamics and the direct simulation of gas flows, Oxford Engineering Science Series 42 (1994)
Introduction / Motivation
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
»Direct Simulation Monte Carlo« (DSMC) - Method
� Introduced by Bird, 1981
� Statistically obtained solution of theBoltzmann transport equation incl. collision term
� Especially suited for low pressureand high velocity� Simulation of turbo blades� Satellite reentrance into earth atmosphere
� With increasing pressure the computationaleffort rapidly increases (~ p2…p4)
� Fraunhofer IST: 3D parallel implementationbased on domain decomposition. Capable of multiple particle resolutions.
720.0 710.0 700.0 690.0 680.0 670.0 660.0 650.0 640.0 630.0 620.0 610.0 600.0
x
z
x
y
Argon partial pressure [mPa]
TwinMagtargets To pumps in
next module
Substrate holder
y
z
Introduction / Motivation
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
1. Introduction
2. Details of parallel DSMC implementation
3. DSMC model of an in-line coater
4. 3D Gas flow simulation with moving
glass substrates
5. Summary and outlook
Outline
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
»Direct Simulation Monte Carlo« (DSMC) - method
Details of parallel DSMC implementation
Cube
Tube_A
Tube_Bconnecting surfacebent in 3D
planar surface
planar surfacex
z
y
n = 10x
n =
3y
n =
6z
Lx
Lz
L y
z
n =
4z
Lz
r2
r1
nr = 4n = 12ϕ
a) Volume elements
b) Connections between volume elements
GeometrySchedule
Initialization
Time cycles
MovementCollisionPumpingNew particles
Averaging cycles
Evaluation
Super particlesMaxwellian distribution
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Parallel DSMC codeOverall layout of software framework
Details of parallel DSMC implementation
RIG-VM DSMC MasterRIG-VM API
DSMC Worker
DSMC Worker
DSMC Worker
DSMC Worker
libc
PVM3 API
Particleexchange
Object orientedscripting language
with a C style syntax
Sub class ofRIG-VM
RIG-VMAPI
PVM3API
Particleexchange
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Parallel DSMC codeLayout of worker processes
DSMC_Base
DSMC_Volume DSMC_Border DSMC_SVT
DSMC_CylinderJunction
DSMC_Quad
DSMC_Cone
DSMC_Diffuse_Border
DSMC_Specular_Border
DSMC_Open_Border
DSMC_Outlet_Border
DSMC_Combined_Border
Further volume types
Transformation between3D volume coordinates and2D surface coordinates(one class for each combination)
� Object oriented, C++
� Abstract base class for- Border type- Volume element
(geometry)
� Further geometricvolume elements andborder types can easilybe added withoutloss in performance
Details of parallel DSMC implementation
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Parallel DSMC codeGeneral parallelization scheme
Details of parallel DSMC implementation
Master
Worker 1
Worker 2
Worker 3
Worker 4
PVM messages
Time axis
Perform task
Perform task
Perform task
Wait for 'DSMCC_SUCCESS'
RIG-VM interpretercalls method ofDSMC-master module
Further proceeding of RIG-VMscript
Perform task
PV
M m
ess
ag
es
Su
cess
co
de
DS
MC
C_S
UC
CE
SS
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Parallel DSMC codeParallelization scheme – Particle transfer between workers
Details of parallel DSMC implementation
� Particle transfer shouldbe handled solely between workers, i. e. should be invisiblefor the master
� Within a fixed time
step δt, a particle trajectory could spanover multiple workers (see right graph)
� The main problem fora worker is finding out the right moment to say‘DSMCC_SUCCESS’
Typical particle transfer scenarios in a DSMC setup consisting of three worker tasks A-C
p1
A B
C
p2
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Parallel DSMC codeParallelization scheme – Asynchronous particle exchange
Details of parallel DSMC implementation
Active state Waiting state
Particle generation
Collision treatment
Particle Movement
NS==0?
NS particles are sent to neighbour
processes via
Send
to master
Yes
Switch to waiting state
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Parallel DSMC codeParallelization scheme – Asynchronous particle exchange
Details of parallel DSMC implementation
p1
A B
C
p2
Master
A
B
C
Command
Time axis
Move, one particlehas stopped
Wait fortwo particles
Move, transfer twoparticles, remember: n=2 n=1
Receive: 1
Move, stop-> n=0
Move, wall collision, move, transfer one particle
Move, notransfer
Wait for 'DSMCC_SUCCESS'
Move, notransfer
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
1. Introduction
2. Details of parallel DSMC implementation
3. DSMC model of an in-line coater
4. 3D Gas flow simulation with moving
glass substrates
5. Summary and outlook
Outline
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
In-line coater at Applied Materials (former Applied Films) Sketch of compartments M5-M11
M11(Empty)
M10(Pumping)
M8(Pumping)
M7(Empty)
M6(process)
M5(pumping)
M9
3x TurboLeybold 1600
3x TurboLeybold 1600
2x TurboLeybold 1600
0.7 m 0.7 m 0.7 m 0.7 m 0.6 m 0.6 m 0.6 m
To load lock in M1Moving glass substrate
Substrate size: 1.0 x 3.21 m²
Dual rotatables
Glass transport system Gas inlet
»BigMag« experimental inline coater- Compartment width: 4.35 m (same as for »Jumbo sized« substrates)- 7 Compartments à 0.6 m length- 4 Compartments à 0.7 m length- Total length ~ 8 m
DSMC model of an in-line coater
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
In-line coater at Applied Materials (former Applied Films)View into sputter compartment M9»BigMag« – M9
• Compartment widthof 4.35 m
• Gas inlet is hiddenbeneath shielding
• Connection to pumpingcompartments via 20rectangular orifices,left and right.
• Different target typescan be mounted
Slits for pumping of sputter compartment
Shielded gas inlet system
M9M8 M10
DSMC model of an in-line coater
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Domain decomposition in XY plane
332x43.753x11.9 49.5 x
29.5
HGRG
44 .7x17.9
438x26.353x11.9
RGHG49.5 x29.544.7x17.9
MM
MG
74x11 0
53x9.470 .5x9.4
BL_ABL_B
BL_F
74x110
53x9.470.5x9.4
B R_AB R_B
BR_F
680x306
20 x 60(x 150 in z-dir ection)
700 x16
680x306
700x16
510*138
MO
85x103
LO RO85x103
123x9.4 BL_E17.5118x9 .4 BL_D17.5
119x 9.4 BL_C17.517.5
39
*85
.6
BL_G
20 x 60(x 150 in z direction)
123x9.4BR _E 17.5118x9.4BR_D 17.5
119x9.4BR_C 17.5
39
*85
.6
BR_ G
34 40 3440
23x23
172.5 x 23172.5 x 23 U9_UMU9_UL U9_UR
115.5 x 100 115.5 x 100
U9_L
U8U5
700 x16 OG_9 OG_8OG_10
U9_2: 33x10 U9_3: 3 3x10
U9_OM: 267 x27U9_123x32
U9_R
U9_423x32 U98_A
30.5x3 0
U8_R95x100
U9
8_
BU
98_
C
U9_OR: 148.5 x5
81.2x9.4BL_J62.0x9.4BL_I
BL_H
170.7x9.4147.4x9.4
KGKF
125.1x9.4 KE
8 8.7x85.6
K D
d = 220 m m
81.2x9.4 BR_J62 .0x9.4 B R_I
BR_H
170.7x9.4
147.4x9.4125.1x9.4
KA
KCKB
Gla
sssu
bstra
te
221 x 77
335 x 23
U9_M
U7U6
49.2x9.4 49.2x9.4
x
y
Sputter compartment M9M10 M8
DSMC model of an in-line coater
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Domain decomposition in YZ plane
DSMC model of an in-line coater
ZP3 ZP2 ZP1 ZM ZV1 ZV2425 300 600 1700 600 300
150
25 7537.5
ZV3425
ZP1 ZPM ZV1600 1700 600
ZP2275
ZV2275
Area of glass substrate transport
ZP3450
ZV3450
Area between transport rolls
Connecting slots between M8-M9 and M9-M10
z
y
Area above glass substrate
DSMC gas flow model comprises- Total volume of 7.5 m³- 1005 Volume elements
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
1. Introduction
2. Details of parallel DSMC implementation
3. DSMC model of an in-line coater
4. 3D Gas flow simulation with moving
glass substrates
5. Summary and outlook
Outline
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
DSMC implementation dataLinux cluster at Fraunhofer IST
3D Gas flow simulation with moving substrate
Implementation details
� Linux cluster with 5 nodes à 2 Opteron-250 (2.4 GHz) processorsand GBit ethernet
� 4 GB (8x512 MB) of memory for each node
� Debian sarge, g++ 3.3.5, pvm 3.4.1
� Time cycle = 2.5x10-5 s
� 150000 cycles for first glass position
� 25000 cycles for each of 56 subsequent glass positions (+10000 cycles for time averaging)
� Approx. 106 simulation particles in total
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
DSMC model of BigMag coaterPressure distribution around sputter compartment M9
180.0 170.0 160.0 150.0 140.0 130.0 120.0 110.0 100.0 90.0 80.0 70.0 60.0
Argon-Druck [mPa]
M10 M9 M8
Ohne Glassubstrat
3D Gas flow simulation with moving substrate
Without glass substrate
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
DSMC model of BigMag coaterInfluence of glass substrate
180.0 170.0 160.0 150.0 140.0 130.0 120.0 110.0 100.0 90.0 80.0 70.0 60.0
Argon-Druck [mPa]
M10 M9 M8
Mit GlassubstratWith glass substrate
3D Gas flow simulation with moving substrate
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Substrate movementInfluence of substrate movement on total pressure in M10Simulation vs. Measurement
• Good agreement betweensimulation and experiment
• Experimental values takenfrom coign of chamberM10
• Absolute values of pressure measurements are verydifficult to obtain
0.0 0.5 1.0 1.5 2.0
121
122
123
124
125
126
127
128
Deposition range
BigMag-Logfile:
Si3N
4 deposition
Ionivac BAG 100 in M10
scaled by factor 1/2.79
DSMC simulation in M10
(Ar pressure)
Pre
ssu
re [
mP
a]
Glass front position [m]
3D Gas flow simulation with moving substrate
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
DSMC model of BigMag coaterLoad balancing
3D Gas flow simulation with moving substrate
ηηηη Speedup[%]
Time for 1000 cycles [s]
ηηηη Speedup[%]
Time for 1000 cycles [s]
371183014510
40122381279
49114361528
51122421487
52141431696
58150412135
64170452414
67219572553
2
1
M
8127274297
438438
Load balance by averaged CPU clock() results
Load balance by number of particles
Load balance� Equally distributed
load per process� Load can be either
estimated from totalnumber of particlesor measured via theclock() function duringtest cycles
� Auxiliary condition:Minimizing the numberof communication paths over network(typically 2000�200)
� »Simulated Annealing«
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Substrate movementHeuristic simulation of resulting film thickness profile
Heuristic simulation ofreactive magnetronsputtering
• Simplified model ofthe whole process
• Model of in-line coateruses 2D pressure distribution averagedalong target direction(z-Axis)
���� Pflug et al., Proc. 47th SVC Tech. Conf. (2004) 155-60.
���� Pflug et al.; Proc. 49th SVCTech. Conf. (2006) 14-20.
3D Gas flow simulation with moving substrate
Location x on substrate [m]~
Re
lativ
e t
hic
kn
ess
de
via
tio
n
t /
t [%
]∆
_
0.0 0.2 0.4 0.6 0.8 1.0
-1.5
-1.0
-0.5
0.0
0.5
1.0
1.5
2.0
2.5 Heuristic model Reactive ZnO, 11.02.2004, center Reactive SiO
2, 16.06.2004, center
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
3D gas pressure distributionPhase shift at different positions within chamber
xx x xx
0.0 0.5 1.0 1.5 2.00.166
0.167
0.168
0.169
0.170
0.171
0.172
0.173
0.174
0.175
0.176
0.177
0.178
0.179
0.180
0.181
Arg
on
pre
ssu
re [
mP
a]
Position of glass front [m]
Segments
ZP3 / ZVP
ZP1 / ZV1
ZM
ZP3 ZP2 ZP1 ZM ZV1 ZV2425 300 600 1700 600 300
150
25 7537.5
ZV3425
ZP1 ZPM ZV1600 1700 600
ZP2275
ZV2275
Glass substrate
ZP3450
ZV3450
Upper area
Lower area
Connecting slotsbetween compartments
z
y
� “Phase shift” in gaspressure distributionbetween differentpositions along targetaxis.
3D Gas flow simulation with moving substrate
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
1. A high precision parallel DSMC code forrarefied gas flow simulation has been developed at Fraunhofer IST
2. The DSMC code has been applied to an in-linecoater with a moving substrate
3. The simulation is in good agreement with pressuremeasurements. A 2D heuristic model derived from theDSMC simulations is partially capable of describing the resulting film thickness distribution on substrate
4. In many cases a 2D heuristic model is not an appropriate description for large in-line coaters. This is most probably caused by the phase shift in theXZ-pressure distribution between different locationsalong target axis
Summary
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
1. Network latency of GBit ethernet cards seems to be a significant limitation. This willbe further investigated.
2. A PIC-MC plasma simulation system has been implemented based on the parallel DSMC code ���� M. Siemers et al.,
Proc. 49th SVC Tech. Conf. (2006) 60-63.
Outlook
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Thank you very much for your attention!
This work has partially been funded by
Bundesministerium für Bildung und Forschung (BMBF) and
VolkswagenStiftung Hannover
49th Annual SVC Technical Conference 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Backup slides
Euro-PVM/MPI 2006, Sept. 17-20, 2006
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
Low-E coatings: Demand on film thickness homogeneityInfluence of film thickness deviations for double-Ag-low-E
0.50
0
-0.50
-1.0
1.0
-1.5
1.5
-2.0
2.0
-2.5
2.5 -3.0
3.0
-3.5
3.5
-4.0
43 44 45 46 47 48
74
75
76
77
78
79
1 nm
d1 [nm]
d2 [
nm
]
-3.5
-3.0
-2.5
-2.0
-1.5
-1.0
-0.50
0
0.50 1.0
1.52.0
2.53.0
3.54.0
43 44 45 46 47 48
74
75
76
77
78
79
d1 [nm]
d2 [
nm
]
Float
SnO2
ap
pro
x. 1
80
nm
AgNiCrOx
d3
d2
d1
dAg + dNiCrOx = 9 nm
Example:SnO2 based double-Aglow-E stack
Demand on large area coatings:(substrate size: 6.0*3.21 m²)
����
Dependency of color coordinates a*, b* on thickness
Introduction / Motivation
Pfl, Sie, Szy 2006-09-20
FraunhoferInstitutSchicht- undOberflächentechnik
»Direct Simulation Monte Carlo« (DSMC) - method Overall calculation schedule
Details of parallel DSMC imlementation
Geometry Volume elements
Initial particle distribution
Boundary surfaces and pumping
Particle movement
during interval [ , + ]t t tδ
Collision treatment
during interval [ , + ]t t tδ
Newparticle
generation
Initialisation
Mesh of sub cells
Time cycles Evaluation
Data loggi ng(every m steps)
N time cycles = 10 ...10 sδt -4-7
Save final state (= velocitiy, coordinates of each simulation particle) in to state file
Averaged net flows of particles
Density
Averaged velocitycompon ents <v >, <v >, <v >
x y z
Averages squarevelocity <v >2
Perform N cycles of time averagingavg
Species and collision parameters
Random (Maxwellian distribu tion)
Restore from state file
Results
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