Dear,
I am trying to run a solid-state transformation simulation for a martensitic steel (Fe–13.7Cr–0.32C–0.3Mn) during heating.
The initial microstructure consists of BCC matrix + M23C6 carbides, and during heating the system is expected to transform mainly into FCC with a small remaining fraction of carbides.
For the initial microstructure, I defined approximately: 93% BCC, 6% M23C6.
I calculated the equilibrium phase compositions using Thermo-Calc and used these values in MICRESS under `# Initial Concentration` for each phase.
Initially, I intended to simulate heating from room temperature up to 970°C. However, Thermo-Calc predicts three phases at room temperature: BCC_A2 (84.44%), BCC_A2#1 (CrBCC) (9.2%), and M23C6_D84 (6.27%).
Since introducing the additional BCC_A2#1 phase would significantly increase the simulation complexity, I decided to start the simulation from 500°C instead. But, one question, would it be possible starting from RT without addition of BCC_A2#1?
Although the phase fractions, compositions, and temperature defined under `# Initial Concentrations` appear consistent with the Thermo-Calc results, the following error occurs when starting the simulation:
`--> Force automatic start values`
`initialisation failed, error = 105 interface BCC_A2/M23C6_D84`
Additionally, I noticed that the phase compositions shown in the results differ from the values provided in the input file (comand #input). Is there any suggestions on how to proceed or what might cause this initialization issue?
I have attached the driving file and GSFile.
Many thanks in advance,
Daysianne
Part of driving file:
# Initial Concentrations
# ======================
# How shall initial concentrations be set?
# Options: input equilibrium from_file [phase number]
input
# Initial concentration of component 1 (C) in phase 0 (Liq) ? [wt%]
0
# Initial concentration of component 2 (CR) in phase 0 (Liq) ? [wt%]
0
# Initial concentration of component 3 (MN) in phase 0 (Liq) ? [wt%]
0
# Initial concentration of component 1 (C) in phase 1 (FCC) ? [wt%]
0
# Initial concentration of component 2 (CR) in phase 1 (FCC) ? [wt%]
0
# Initial concentration of component 3 (MN) in phase 1 (FCC) ? [wt%]
0
# Initial concentration of component 1 (C) in phase 2 (BCC) ? [wt%]
0.00000309037
# Initial concentration of component 2 (CR) in phase 2 (BCC) ? [wt%]
9.408
# Initial concentration of component 3 (MN) in phase 2 (BCC) ? [wt%]
0.164
# Initial concentration of component 1 (C) in phase 3 (M23C6) ? [wt%]
5.650
# Initial concentration of component 2 (CR) in phase 3 (M23C6) ? [wt%]
85.195
# Initial concentration of component 3 (MN) in phase 3 (M23C6) ? [wt%]
2.573
# Temperature at which the initial equilibrium
# will be calculated? [K]
773
Part of results:
Start Composition and Limits for quasi-equilibrium
--------------------------------------------------
FE in FCC_A1: 97.1340 at% (>0 - <100at% )
C in FCC_A1: 0.903681 at% (>0 - 50.0000at% )
CR in FCC_A1: 0.862224 at% (>0 - <100at% )
MN in FCC_A1: 1.10008 at% (>0 - <100at% )
FE in BCC_A2: 49.6747 at% (>0 - 100.000at% )
C in BCC_A2: 2.78318 at% (>0 - 75.0000at% )
CR in BCC_A2: 47.0135 at% (>0 - 100.000at% )
MN in BCC_A2: 0.528644 at% (>0 - 100.000at% )
FE in M23C6_D84: 43.3532 at% (>0 - 79.3103at% )
C in M23C6_D84: 20.6897 at% ( 20.6897 - 20.6897at% )
CR in M23C6_D84: 35.4393 at% (>0 - 79.3103at% )
MN in M23C6_D84: 0.517850 at% (>0 - 79.3103at% )
--> Force automatic start values
--> Force automatic start values
initialisation failed, error = 105 interface BCC_A2/M23C6_D84
Initial concentration in the phases:
------------------------------------
FCC_A1, FE: 85.68000 wt%
FCC_A1, C: 0.3200000 wt%
FCC_A1, CR: 13.70000 wt%
FCC_A1, MN: 0.3000000 wt%
BCC_A2, FE: 100.0000 wt%
BCC_A2, C: ************* wt%
BCC_A2, CR: ************* wt%
BCC_A2, MN: ************* wt%
M23C6_D84, FE: 100.0000 wt%
M23C6_D84, C: ************* wt%
M23C6_D84, CR: ************* wt%
M23C6_D84, MN: ************* wt%
Routine init calls routine initConcFeld
Routine init calls routine initMol
Thermo-Calc error 1146 MICRESS error 24 Thermo-Calc
WARNING IN toolGetMolVolTQ!
Error in first equilibrium! BCC_A2
Starting Microstructure - heat treatment - dissolution of carbide
Starting Microstructure - heat treatment - dissolution of carbide
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