GTT-Technologies - 3-D Representation of Phase …...GTT-Technologies Phase diagrams as projti f...
Transcript of GTT-Technologies - 3-D Representation of Phase …...GTT-Technologies Phase diagrams as projti f...
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3-D Representation of Phase Diagrams and other Property Diagramsand other Property Diagrams for Multi-component Systems
K Hack1 P Cerfontaine2 E Fried2 T Kuhlen2K. Hack1, P. Cerfontaine2, E. Fried2, T. Kuhlen2,D. Senk3, A. Babich3, S. Geimer3
RCCM-GTT Tokyo Workshop 2006
1GTT-Technologies2 VR Group RWTH Aachen University3Institut für Eisenhüttenkunde RWTHRCCM GTT Tokyo Workshop 2006
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GTT-Technologies
Wh ill 3 D t ti h l ?Where will 3-D representation help?
- From Gibbs energy to phase diagram
- Thermodynamic properties in ternaries, e.g. isothermal activities
- Liquidus projections
- Quaternary phase diagrams
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GTT-Technologies
Phase diagrams j ti f Gibb E l tas projections from Gibbs Energy plots
1.0
0.5
0 00.0
-0.5
-1.0
G
300
400
500
600
7001.0 0.8 0.6 0.4 0.2 0.0
T
CuxNiNi
Binary system: projection in G-T-x diagram, p = const.
CuNi
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GTT-Technologies
Phase diagrams j ti f Gibb l tas projections from Gibbs energy plots
Ternary system: projection in G-x1-x2 diagram,T = const and p = constp
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GTT-Technologies
Perspective Representation of Isothermal Activity Plotsy
for the System Ti-Si-C
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GTT-Technologies
1: Si+SiC + TiSi1: Si+SiC + TiSi22: TiSi2 + SiC + Ti3SiC23: SiC + Ti3SiC2 + TiC1-x4: SiC + TiC + C4: SiC + TiC1-x + C
5: TiC1-x + Ti3SiC2 + Ti5Si3Cx6: TiBCC + TiC1-x + Ti5Si3Cx7: TiSi + Ti Si + Ti Si C7: TiSi + Ti5Si4 + Ti5Si3Cx8: TiSi + TiSi2 + Ti5Si3Cx
Carbon activity in system Ti-Si-C for T = 1200° C
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GTT-Technologies
Silicon activity in system Ti-Si-C for T = 1200° C
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GTT-Technologies
Liquidus Projectionfor the System
MgO-Al2O3-SiO2
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GTT-Technologies
FromFrom Slag atlas
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GTT-Technologies
Quaternary Phase DiagramsQuaternary Phase Diagrams
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GTT-Technologies
From Slag atlasMnO
1: SiO22 2C O SiO2
5
2: 2CaO.SiO23: 3CaO.SiO24: (Ca Mn)O5
4
4: (Ca,Mn)O5: (Mn,Ca)O
1
42
FeO SiO2
3
FeO SiO2
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GTT-Technologies
From Slag atlas
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GTT-Technologies
From Slag atlasFrom Slag atlas
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GTT-Technologies
Wire Models
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GTT-Technologies
Wire model for thefor thesystemAl-Li-Si
(R.Schmid-Fetzer, TU-Clausthal)
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GTT-Technologies
Wire model for the system Co-Fe-Mo-Ni, T=1373K
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GTT-Technologies
Intermediate SummaryIntermediate Summary
The routine 3D-visualisation of phase diagrams and also property diagrams would contributeand also property diagrams would contribute considerably to the understanding of multi-dimensional relationships in material systems. p y
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GTT-Technologies
Results of thermochemical calculationsResults of thermochemical calculationsPart 1
I h l i b i i l h iIsothermal isobaric isopleth sections
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GTT-Technologies
Fe - Cr - V - C SystemT 850°C t % C 0 3 P 1 t
– fcc + M23C6
– fcc + M7C3 + M23C6
– bcc + fcc + M7C3 + M23C6
T = 850°C, wt.% C = 0.3, Ptot = 1 atm<F*A*C*T>0.05
MCfccbcc
MCfccbcc7 3 23 6
– bcc + MC + M7C3 + M23C6
V
0.04
bccM7C3M23C6
bccM7C3
M23C6
bcc + MC+ M23C6
bcc + MC
frac
tion
V
0.03
bcc+ fcc+ MC
bcc + MC + M7C3
bcc + fcc + MC
+ M 23
C 6mas
s f
0.02
fcc + MC
f + M C
bcc + M23C6
fcc + bcc
fcc + bccfcc + MC + M7C3
C+ M7C3 bcc + M7C3
+ M7C3
bcc +
M7C
3 +
0.01
fccfcc + M7C3 fcc + bcc
+ M23C6
mass fraction Cr0.00 0.02 0.04 0.06 0.08 0.10 0.12 0.14 0.16
0.00
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GTT-Technologies
Results of thermochemical calculationsResults of thermochemical calculationsPart 2
Liquidus projectionsLiquidus projections
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GTT-Technologies
MgO - CaO - ZrO2Polythermal projection 2200 - 3500
09.07.06D:\FSage541\Teach\CMZO-Aux\CMZO.LiqSurf
0.9 0
MgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgOMgO
0.7
0.8
0.
0.1
0.2
03
05
0.6
0. .3
0.4
03
0.4
0.
0.5
0.6
01
0.2
0.3 0.7
0.8
0
2218.02 K
2253.18 K Tmax=2311.54
0.1
0.10.20.30.40.50.60.70.80.9
0.9
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
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ZrO2 CaOmole fraction
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ZrO2 CaOmole fraction
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ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
ZrO2 CaOmole fraction
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ZrO2 CaOmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fractionmole fraction
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GTT-Technologies
Results thermochemical calculationsPart 3
Binary composition-temperature-pressurecube
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GTT-Technologies
Th Pb S T P Ph DiThe Pb-Sn T-P-x Phase Diagramleft: from low to high pressure
right: from high to low pressure
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GTT-Technologies
Results of thermochemical calculationsPart 4Part 4
Ternary composition-temperature prism
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GTT-Technologies
ZPF linesf C C Ffor Co-Cr-FeT = 1400 K
Sigma
BCC
FCCFCC
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GTT-Technologies
ZPF surfacesfor Co-Cr-Fe
iin range1000<T/K<1400
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GTT-Technologies
Results of thermochemical calculationsPart 5
Quaternary composition tetrahedron
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GTT-Technologies
The ZPF surfaces ofCorundum,
Monoxidd Li idand Liquid
in the systemCaO-MnO-Al2O3-SiO2CaO MnO Al2O3 SiO2
T = 1973 K
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GTT-Technologies
All phasesT = 1973 KT = 1973 K
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GTT-Technologies
Results of thermochemical calculationsP t 6Part 6
4D: Quaternary composition tetrahedron with variable temperaturep
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GTT-Technologies
Summary
- Gibbs Energy thermodynamics (Software and Databases) permit quantitative calculation of systems with arbitrarily“ high number ofsystems with „arbitrarily“ high number of components.
- Regarding time (animation) as an additional parameter it is even possible to generate four dimensional representations.
Up to date graphics soft and hardware provides- Up-to-date graphics soft- and hardware provides tools for real 3D-representation.
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GTT-Technologies
Thank you for your attention !a you o you atte t o
We would be happy to welcome You in the 3D cave of
RWTH computer center, Aachen !!!
Polarisation glasses will be made available.