multi-phase micro-segregation modelling during solidification of...

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Prof. Dr. Ing. A. Bührig-Polaczek Thermo-Calc Anwendertreffen, Aachen 2007 Multi-Phase Micro-Segregation Modelling during Solidification of Ductile Iron B. Pustal, R. Berger, E. Subasic, G. Laschet, W. Schäfer, C. Bartels, A. Bührig-Polaczek

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Prof. Dr. Ing. A. Bührig-Polaczek

Thermo-Calc Anwendertreffen, Aachen 2007

Multi-Phase Micro-Segregation Modelling during Solidification of Ductile Iron

B. Pustal, R. Berger, E. Subasic, G. Laschet, W. Schäfer, C. Bartels, A. Bührig-Polaczek

Thermo-Calc Anwendertreffen, Aachen 2007

Outline

• About the Project• Specific Problems Modelling Ductile Iron• Introduction to MicroPhase• Governing Equations• Typical MicroPhase Results• Results for GJS-AX-NiCr 20 2• Process Simulation Using MicroPhase Results• Outlook• First Coupled Results

Thermo-Calc Anwendertreffen, Aachen 2007

Project of the DFG Transfer Domain„Modelling Tools Relevant for Practice“

Sub-Project: A Thermodynamic-Kinetic Micro-Segregation Model

- A comprehensive simulation tool for process and material dependent micro-structure simulations is to be developed by the cooperation of the four partners

- Prediction of solidification paths of highly alloyed ductile cast irons

- to predict feeding due to graphite precipitation and

- for alloy, casting, and process development

- For research and application of users in practice

Clamp-ring made of EN-GJS SiMo 5.1 and EN-GJS-AX-NiCr 20 2

Thermo-Calc Anwendertreffen, Aachen 2007

Specific Problems Modelling Ductile Iron

φG γ L

G

γL

- Morphology (graphite nodule in an austenite shell), mixed morphology: primary austenite and secondary eutectic cells

ΔT

Pop

ulat

ion

(m-3

)

N‘

ΔTN

ΔTσ

- Nucleation of stable and meta-stable phases- Cross-diffusion of C-Si-Cu in austenite

- Solid state transformations

Thermo-Calc Anwendertreffen, Aachen 2007

MicroPhaseA Multi-Phase Micro-Segregation Model

β

Lxαx

Thermo-Calc Anwendertreffen, Aachen 2007

Rough Flow Chart of MicroPhase

START Micro-Module

Temperature Criterion

Termination Criteria

END Micro-Module

Micro-SegregationObtaining Phase Fractions

Enthalpy of the SystemEnergy Conservation

No

Yes

No

Yes

Thermodynamic CalculationEquilibrium Concentrations

Solving Flux-BalancesNew Phase Fractions

Calculating DiffusionSolving Solutal Conservation Equations

Solving Flux-BalancesLiquid Concentrations due to Diffusion

Thermo-Calc Anwendertreffen, Aachen 2007

Discretised Solutal Balance Equations Across Solid-Liquid Interfaces

Thermo-Calc Anwendertreffen, Aachen 2007

Discretised Solutal Conservation Equationfor a Volume Element k

Thermo-Calc Anwendertreffen, Aachen 2007

Typical ResultsPhase-Fractions, Temperature Curves

GJS-AX-NiCr 20 2Fe C3 Si2 Mn2 Ni20 Cr2 Cu0.5

Thermo-Calc Anwendertreffen, Aachen 2007

Typical ResultsMaterial Properties (Cp, ρ, H, S, Lf, fs)

GJS-AX-NiCr 20 2Fe C3 Si2 Mn2 Ni20 Cr2 Cu0.5

Thermo-Calc Anwendertreffen, Aachen 2007

Comparing Liquid Fraction for an Equilibrium, A Gulliver-Scheil, and a Diffusion Controlled Approach

GJS-AX-NiCr 20 2Fe C3 Si2 Mn2 Ni20 Cr2 Cu0.5

Thermo-Calc Anwendertreffen, Aachen 2007

The Representative Volume Elementfor GJS-AX-NiCr 20 2

Thermo-Calc Anwendertreffen, Aachen 2007

The Representative Volume Elementfor GJS-AX-NiCr 20 2

Thermo-Calc Anwendertreffen, Aachen 2007

Process Simulation: Clamp-Ring

Thermo-Calc Anwendertreffen, Aachen 2007

MAGMASOFT Using MicroPhase ResultsMaterial Specific Data

Thermo-Calc Anwendertreffen, Aachen 2007

MAGMASOFT Using MicroPhase Results Density (T)

Thermo-Calc Anwendertreffen, Aachen 2007

MAGMASOFT Using MicroPhase Results Specific Heat Capacity (T)

Thermo-Calc Anwendertreffen, Aachen 2007

MAGMASOFT Using MicroPhase Results Solid Fraction (T)

Thermo-Calc Anwendertreffen, Aachen 2007

MAGMASOFT Predicting Porosity UsingMicroPhase Data (Specific Heat Extraction Rate)

Thermo-Calc Anwendertreffen, Aachen 2007

Solidification Result of MAGMASOFT UsingMicroPhase Data (Spec. Heat Extraction Rate)

Thermo-Calc Anwendertreffen, Aachen 2007

Comparing Predicted t-T-CurvesMicroPhase, 1. MAGMA & 2. MAGMA Simulation

Thermo-Calc Anwendertreffen, Aachen 2007

Future Work

• C cross-diffusion through austenite shell• Implementation of a statistical nucleation model• Direct coupling to MAGMASOFT• Implementation of interface kinetics (short range

diffusion)• Prediction of solid state transformations

Thermo-Calc Anwendertreffen, Aachen 2007

Principle of CouplingMAGMASOFT, MicroPhase, and Thermo-Calc

Makro-ProgrammMAGMASOFT©

Micro-ProgramMicroPhase

TD-DatenbankSchnittstelle

Main-Processing

h,μ Tx,

THΔΔ

tT Δ,

Post-ProcessingVerbesserte Temperaturrechnung

Charakteristische AbständePhasenanteile

Lunkerprognose

Pre-Processing

Thermo-Calc Anwendertreffen, Aachen 2007

Simulated Geometry: ¼ CubeGJS-AX NiCr 20 2 (144 VE‘s in 2h), Green-Sand Mould

x

z

Thermo-Calc Anwendertreffen, Aachen 2007

Un-Coupled Solution: Solidification Time

Thermo-Calc Anwendertreffen, Aachen 2007

Coupled Solution: wt.-fraction graphite

Thermo-Calc Anwendertreffen, Aachen 2007

Coupled Solution: wt.-fraction M7C3

Thermo-Calc Anwendertreffen, Aachen 2007

Coupled Solution: wt.-fraction Austenite

Thermo-Calc Anwendertreffen, Aachen 2007

Un-Coupled Solution: Porosity