I want to simulate the solidification process of Al with two solid phases. I prepared the GES file from thermal-cal that contains LIQUID, FCC L12, DIAMOND_A4 and MG2SI_C1 phases. It runs without error when I specify the solid phases as FCC L12 and MG2SI_C1, but I got errors when I try to change the solid phases to FCC L12 and DIAMOND_A4. The errors are shown below.
Code: Select all
Start Composition for iteration of quasi-equilibrium
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AL in LIQUID: 45.60302
MG in LIQUID: 0.5025126
SI in LIQUID: 53.89447
AL in FCC_L12: 81.34018
MG in FCC_L12: 9.116623
SI in FCC_L12: 9.543200
AL in DIAMOND_A4: 0.9902932
MG in DIAMOND_A4: 0.000000
SI in DIAMOND_A4: 99.00971
--> Force automatic start values
# Initial concentration in the phases:
# LIQUID, AL: 89.60000 wt%
# LIQUID, MG: 0.4000000 wt%
# LIQUID, SI: 10.00000 wt%
# FCC_L12, AL: 98.76409 wt%
# FCC_L12, MG: 7.8361802E-02 wt%
# FCC_L12, SI: 1.157544 wt%
Routine init calls routine initConcFeld
Routine init calls routine initMol
Initial molar volume of phase 0:
11.18814124 # molVolPh [cm**3/mol]
Initial molar volume of phase 1:
10.47578259 # molVolPh [cm**3/mol]
Routine init calls routine initTwidth
# tWidth_max( 0 : 1 ) = 1.8211794E-07 s
# tWidth_max( 0 : 2 ) = 8.3815641E-08 s
# Maximal value for tWidth = 8.3815641E-08 s for phase-field solver
Updating of diffusion data from database...
# Maximal value for tWidth = 4.9056648E-08 s for conc-field solver
# Automatic time stepping (phase-field solver): decreased value for tWidth = 4.66038E-08 s
# Initial value for tWidth = 4.66038E-08 s for automatic time stepping (phase-field solver)
# Critical grain radius:
# of phase 1 in phase 0 = 0.13384 / dT_unt [micrometers]
End of routine init
Remaining license time: permanent
==================================================
Time t = 0.0000000 s
CPU-time: 52 s
Current phase-field solver time step = 4.66E-08 s
Average conc. of comp. 1 = 0.3851499 wt%
Average conc. of comp. 2 = 9.5917430 wt%
Temperature at the bottom = 865.00 K
Temperature gradient = 200000. K/cm
Fraction of phase 0: 0.95250
Fraction of phase 1: 0.04750
Fraction of phase 2: 0.00000
Intermediate output for t = 1.00000E-07 s
CPU-time: 0 s
Current phase-field solver time step = 1.00E-07 s
Average conc. of comp. 1 = 0.3851499 wt%
Average conc. of comp. 2 = 9.5917430 wt%
One-dimensional approximation from z = 48
Temperature at the bottom = 864.90 K
Temperature gradient = 200000. K/cm
Intermediate output for t = 1.00000E-05 s
CPU-time: 4 s
Current phase-field solver time step = 1.00E-07 s
Average conc. of comp. 1 = 0.3851499 wt%
Average conc. of comp. 2 = 9.5917430 wt%
One-dimensional approximation from z = 48
Temperature at the bottom = 855.00 K
Temperature gradient = 200000. K/cm
Relinearisation interface: LIQUID/FCC_L12 t=1.0100000E-05
Relinearisation interface: LIQUID/FCC_L12 t=2.0000000E-05
Intermediate output for t = 3.00000E-05 s
CPU-time: 7 s
Current phase-field solver time step = 1.00E-07 s
Average conc. of comp. 1 = 0.3851499 wt%
Average conc. of comp. 2 = 9.5917430 wt%
One-dimensional approximation from z = 50
Temperature at the bottom = 835.00 K
Temperature gradient = 200000. K/cm
Relinearisation interface: LIQUID/FCC_L12 t=3.0000000E-05
--> Force automatic start values
# Minimum undercooling for stable growth, seed type 1: 4.101391 K [r=4.0000000E-02 mic.]
Seed number 1 set at time t = 0.40000E-04 s
-------------------------------------------
at an interface
Phase: 2 (DIAMOND_A4)
Seed type: 1
Local temperature = 841.80 K
Undercooling = 15.923 K
Grain number = 2
Seed number 2 set at time t = 0.40000E-04 s
-------------------------------------------
at an interface
Phase: 2 (DIAMOND_A4)
Seed type: 1
Local temperature = 841.80 K
Undercooling = 15.925 K
Grain number = 3
Relinearisation interface: LIQUID/DIAMOND_A4 t=4.0000000E-05
Thermo-Calc error 1611 MICRESS error 24 phases 2/ 2
WARNING IN toolGetMolVolTQ!
Molar volume of phase DIAMOND_A4 equals zero.
No molar volume data in database?
Press any key to exit
Best regards,
Yongliang Ou