Hello Bernd,
Here is CMSX4 problem. I could see the same error here as well. Please find the attached driving file. Remaining files are same. I am unable to attach GES5 file. But, here is script I used to create GES5.
@@ to record a log file in interactive mode use: set_log_file <filename>
@@ to stop recording, just exit tcs
@@
@@ lets see what we are doing:
set-echo
@@
@@select thermodynamic database
@@ GOTO_MODULE DATABASE_RETRIEVAL
goto dat
@@
@@for example TCFe6 iron and steel database
@@ SWITCH_DATABASE TCFE6
sw TCNI8
@@
@@which list the database elements
@@ LIST_DATABASE elements
l-d elements
@@
@@define elements in alloy systems
@@ DEFINE_SYSTEM ni cr co mo w ta al ti re hf
d-sys ni cr co mo w ta al ti re hf
@@
@@list the system
@@ LIST_SYSTEM CONSTITUENT
l-sy CONSTITUENT
@@ LIST_SYSTEM phases
l-sy phases
@@
@@define phases of interest
@@first reject all phases
@@ REJECT phases *
rej phases *
@@
@@then restore phases of interest
@@e.g. liq and fcc_l12
@@ RESTORE phases liq fcc_l12
@@
rest phases liq fcc_l12
@@
@@get defined system into Ges Workspace
@@ GET_DATA
get
@@
@@Optional: Append mobility database
@@
@@ Useful combinations of mobility and thermodynamic databases
@@ mobFE1 SSOL
@@ mobAL1 TTAL (COST)
@@ mobAL2 TCAL
@@ mobNI1 TTNI
@@ mobNI2 TCNI
@@
@@ APPEND_DATABASE mob2
app mobni4
@@
@@define elements in alloy systems (same as above!!)
@@ DEFINE_SYSTEM ni cr co mo w ta al ti re hf
d-sys ni cr co mo w ta al ti re hf
@@
@@list the system
@@ LIST_SYSTEM CONSTITUENT
l-sy CONSTITUENT
@@ LIST_SYSTEM phases
l-sy phases
@@
@@define phases of interest
@@first reject all phases
@@ REJECT phases *
rej phases *
@@
@@then restore phases of interest for diffusion
@@(and modelled in database!)e.g. liq and fcc_l12:
@@ RESTORE phases liq fcc_l12
rest phases liq fcc_l12
@@
@@get defined/appended system into Ges Workspace
@@ GET_DATA
get
@@
@@goto Gibbs Workspace
@@ GOTO_MODULE GIBBS_ENERGY_SYSTEM
go gibbs
@@
@@save Gibbs Workspace to file (here: CMSX4.ges)
@@ SAVE_GES_WORKSPACE
save CMSX4
@@
I have checked all accord. to your suggestions.
All the diffusion coefficients values are available in _diff.txt output and _tabD.txt all the diffusion coefficient values are available. But, one point I have noticed if its fetch from database then values are around in the range of 1e-5 to 7e-5 for different chemical components at 1652K. But, from file I can see 1e-5 at 1675K and 5e-6 at 1625K which is less in the file.
Then, why is the same error at every time step?
Regards
Parimal
CMSX4
-
parimalmaity
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Re: CMSX4
- Attachments
-
- CMSX4_dri.txt
- (29.09 KiB) Downloaded 304 times
Re: CMSX4
Hi Parimal,
I could reproduce the problem and see that there is a value of 0.0 for the first component in LIQUID phase in _diff.txt. There seems to be something odd with the diffusion data of LIQUID in th MOBNI4, I will try to find out and tell you.
As workaround just keep reading liquid diffusivities from file.
Bernd
I could reproduce the problem and see that there is a value of 0.0 for the first component in LIQUID phase in _diff.txt. There seems to be something odd with the diffusion data of LIQUID in th MOBNI4, I will try to find out and tell you.
As workaround just keep reading liquid diffusivities from file.
Bernd
-
parimalmaity
- Posts: 22
- Joined: Tue Mar 07, 2017 10:50 am
- anti_bot: 333
Re: CMSX4
Hello Bernd,
What you are anticipating/sensing it is not. I have dig out a lot at my end. Here are few findings to share...
1. If I use diffusion data of chemical components in liquid from file there is no such error. But, still at t=0 there is no diffusion data after than it appears all the diffusion coefficients data in _TabD and simulation continues.
2. if I use diffusion data of chemical components in liquid from database then only error come. At t=0 there is no diffusion data after that all the diffusion data as usual. But, the same error which I mentioned before. Please let me know.
3. There is another error in linearization. But, I will open once this resolved. Meanwhile, I am not using any global relinearisation. I mentioned option as none. If I say manual, then there is error. But, I would point this next. Please help as soon as possible. I am unable start my actual problem.
Regards
Parimal
What you are anticipating/sensing it is not. I have dig out a lot at my end. Here are few findings to share...
1. If I use diffusion data of chemical components in liquid from file there is no such error. But, still at t=0 there is no diffusion data after than it appears all the diffusion coefficients data in _TabD and simulation continues.
2. if I use diffusion data of chemical components in liquid from database then only error come. At t=0 there is no diffusion data after that all the diffusion data as usual. But, the same error which I mentioned before. Please let me know.
3. There is another error in linearization. But, I will open once this resolved. Meanwhile, I am not using any global relinearisation. I mentioned option as none. If I say manual, then there is error. But, I would point this next. Please help as soon as possible. I am unable start my actual problem.
Regards
Parimal
-
parimalmaity
- Posts: 22
- Joined: Tue Mar 07, 2017 10:50 am
- anti_bot: 333
Re: CMSX4
Hello Bernd,
Another point noticed that for CMSX4 diffusion data in liquid available in file (CMSX4_diffkoef) are much less than the actual database values. Are those values are just for demo purpose or are taken from other sources or other modification need to do?
But, If we use large value of diffusion co-efficient of components in liquid then there is no secondary dendritic arm only primary arms are growing during solidification. In principal this is not true I guess.
If we use the values available in file (CMSX4_diffkoef) then along with primary arm secondary dendritic arms appearing and continue to grow.
Next, the values are very low then many secondary and tertiary arms are appearing.
Please suggest whether one will use diffusion data of components in liquid from database or need to perform some correction and procedure what about other phases then as in they appear.
Regards
Parimal
Another point noticed that for CMSX4 diffusion data in liquid available in file (CMSX4_diffkoef) are much less than the actual database values. Are those values are just for demo purpose or are taken from other sources or other modification need to do?
But, If we use large value of diffusion co-efficient of components in liquid then there is no secondary dendritic arm only primary arms are growing during solidification. In principal this is not true I guess.
If we use the values available in file (CMSX4_diffkoef) then along with primary arm secondary dendritic arms appearing and continue to grow.
Next, the values are very low then many secondary and tertiary arms are appearing.
Please suggest whether one will use diffusion data of components in liquid from database or need to perform some correction and procedure what about other phases then as in they appear.
Regards
Parimal
Re: CMSX4
Dear Parimal,
first I want to apologize that I will not be fully available for support before Tuesday because we have easter holidays in Germany. From home I do not have access to the MICRESS sources...
Points 1. and 2. of your first post correspond more or less to what I said: There should be no problems as long as you don't use liquid phase diffusivities directly from database.
For point 3., I don't have enough information to tell you what could be the problem. My trials using TCNI8/MOBNI4 with the original example and liquid diffusivities from file did not show this error. However, not doing (manual) relinearisation to avoid relinearisation errors most probably is not the best solution...
The reason why in the example we used diffusion data from file instead of from database had several reasons:
1.) MOBNI1 (which was used together with TTNI7) does not have diffusion data for liquid phase
2.) At the time when I designed the example, the MOBNI databases compatible with TCNI7 (I think it was MOBNI2) did not yet have diffusion data for liquid phase
3.) Due to the fact that not only diffusion coefficients in the melt, but also interface energies are typically not well-known, calibration needs to be done anyway. The quantity compared for calibration is the secondary dendrite distance.
4.) Using diffusion coefficients from file allows reducing them more than in reality at lower temperatures where diffusion anyway is fast enough to achieve homogeneous compositions in the liquid. The advantage is a strong performance gain and an increased numerical stability without loss of accuracy (if used correctly).
My advice:
Due to the problems of correctly reading liquid diffusivities from database (which I currently still do not know whether they come from side of Thermo-Calc or MICRESS) you get all but the first Arrhenius descriptions for liquid diffusivities in the _diff.txt output. By changing the order of the elements, you should be able also the values for the first one.
Now you can use these Arrhenius description in MICRESS either in the form of a manual "diagonal d" input, or tabulate it as function of temperature for each element.
If you want to use my proposed "numerical lowering" of diffusion coefficients at lower temperatures, just replace the high temperature part in the CMSX4_diffkoef file (which has the estimated value of 1.E-5) with the correct values for each element (reading from an extra file for each element), and keep the lowering at lower temperatures which I had applied for numerical reasons.
Due to the uncertainty of the interface energy you still need to calibrate one parameter. To get similar results as in the CMSX4-example, you should reduce the interface energy until it looks fine. To have it "correct" you need to calibrate the secondary dendrite arm spacing exactly to an experimental measurement.
Bernd
first I want to apologize that I will not be fully available for support before Tuesday because we have easter holidays in Germany. From home I do not have access to the MICRESS sources...
Points 1. and 2. of your first post correspond more or less to what I said: There should be no problems as long as you don't use liquid phase diffusivities directly from database.
For point 3., I don't have enough information to tell you what could be the problem. My trials using TCNI8/MOBNI4 with the original example and liquid diffusivities from file did not show this error. However, not doing (manual) relinearisation to avoid relinearisation errors most probably is not the best solution...
The reason why in the example we used diffusion data from file instead of from database had several reasons:
1.) MOBNI1 (which was used together with TTNI7) does not have diffusion data for liquid phase
2.) At the time when I designed the example, the MOBNI databases compatible with TCNI7 (I think it was MOBNI2) did not yet have diffusion data for liquid phase
3.) Due to the fact that not only diffusion coefficients in the melt, but also interface energies are typically not well-known, calibration needs to be done anyway. The quantity compared for calibration is the secondary dendrite distance.
4.) Using diffusion coefficients from file allows reducing them more than in reality at lower temperatures where diffusion anyway is fast enough to achieve homogeneous compositions in the liquid. The advantage is a strong performance gain and an increased numerical stability without loss of accuracy (if used correctly).
My advice:
Due to the problems of correctly reading liquid diffusivities from database (which I currently still do not know whether they come from side of Thermo-Calc or MICRESS) you get all but the first Arrhenius descriptions for liquid diffusivities in the _diff.txt output. By changing the order of the elements, you should be able also the values for the first one.
Now you can use these Arrhenius description in MICRESS either in the form of a manual "diagonal d" input, or tabulate it as function of temperature for each element.
If you want to use my proposed "numerical lowering" of diffusion coefficients at lower temperatures, just replace the high temperature part in the CMSX4_diffkoef file (which has the estimated value of 1.E-5) with the correct values for each element (reading from an extra file for each element), and keep the lowering at lower temperatures which I had applied for numerical reasons.
Due to the uncertainty of the interface energy you still need to calibrate one parameter. To get similar results as in the CMSX4-example, you should reduce the interface energy until it looks fine. To have it "correct" you need to calibrate the secondary dendrite arm spacing exactly to an experimental measurement.
Bernd
-
parimalmaity
- Posts: 22
- Joined: Tue Mar 07, 2017 10:50 am
- anti_bot: 333
Re: CMSX4
Hello Bernd,
Thank you for your reply.
Now the problem is fixed and there is such errors. I have followed according to your suggestions.
I have another question regarding Boundary conditions.
I have domain where bottom I can I have isolation/insulation. Left & Right (E&W) I can have periodic or symmetry. But, I have confusion regarding Top. My domain Top face is free surface. Then, what boundary condition should I apply for phase filed and concentration field? I am not clear about gradient and wetting boundary conditions.
Regards
Parimal
Thank you for your reply.
Now the problem is fixed and there is such errors. I have followed according to your suggestions.
I have another question regarding Boundary conditions.
I have domain where bottom I can I have isolation/insulation. Left & Right (E&W) I can have periodic or symmetry. But, I have confusion regarding Top. My domain Top face is free surface. Then, what boundary condition should I apply for phase filed and concentration field? I am not clear about gradient and wetting boundary conditions.
Regards
Parimal
Re: CMSX4
Dear Parimal,
From your question, and knowing that in the past MICRESS training we have been talking about SLM, I assume that you mean a free surface to gas. Obviously, this surface is a barrier for solute diffusion, thus the condition should be isolation for the concentration field. For the phase field, a wetting condition would be perfect, although you need to specify a wetting angle then. By choosing also "isolation" you would fix the wetting angle to 90°. I don't know anything about wetting angles for a solid phase touching a free surface to gas - perhaps you can see how microstructure looks there from experimental results.
Anyway, I think it is not such relevant if you don't know the exact wetting behaviour, because this part of the solidified microstructure will melt away when applying the next layer...
Bernd
From your question, and knowing that in the past MICRESS training we have been talking about SLM, I assume that you mean a free surface to gas. Obviously, this surface is a barrier for solute diffusion, thus the condition should be isolation for the concentration field. For the phase field, a wetting condition would be perfect, although you need to specify a wetting angle then. By choosing also "isolation" you would fix the wetting angle to 90°. I don't know anything about wetting angles for a solid phase touching a free surface to gas - perhaps you can see how microstructure looks there from experimental results.
Anyway, I think it is not such relevant if you don't know the exact wetting behaviour, because this part of the solidified microstructure will melt away when applying the next layer...
Bernd
-
parimalmaity
- Posts: 22
- Joined: Tue Mar 07, 2017 10:50 am
- anti_bot: 333
Re: CMSX4
Hello Bernd,
Thank you. I am going to check with experiments. But, this will really helps.
I have another two doubt here is follows...
Question 1:
I saw in CMSX4 example in the phase interaction data between liquid(0)/1(gamma phase)
# Type of interfacial energy definition between phases LIQUID and 1?
# Options: constant temp_dependent
constant
# Interfacial energy between phases LIQUID and 1? [J/cm**2]
# [max. value for num. interface stabilisation [J/cm**2]]
5.00000E-06 2.E-5
what are two values?
It is asking for max value of interfacial energy between liquid and gamma. Earlier, I used to have only one value.
Can I use these values from thermo-calc? also temp dependent data are available in thermo-calc
Other questions Related to nucleation?
I have posted separately
Regards
Parimal
Thank you. I am going to check with experiments. But, this will really helps.
I have another two doubt here is follows...
Question 1:
I saw in CMSX4 example in the phase interaction data between liquid(0)/1(gamma phase)
# Type of interfacial energy definition between phases LIQUID and 1?
# Options: constant temp_dependent
constant
# Interfacial energy between phases LIQUID and 1? [J/cm**2]
# [max. value for num. interface stabilisation [J/cm**2]]
5.00000E-06 2.E-5
what are two values?
It is asking for max value of interfacial energy between liquid and gamma. Earlier, I used to have only one value.
Can I use these values from thermo-calc? also temp dependent data are available in thermo-calc
Other questions Related to nucleation?
I have posted separately
Regards
Parimal
Last edited by parimalmaity on Tue Apr 18, 2017 1:47 pm, edited 1 time in total.
-
parimalmaity
- Posts: 22
- Joined: Tue Mar 07, 2017 10:50 am
- anti_bot: 333
Re: CMSX4
Hello Bernd,
Here is question related to nucleation.
Question:2
Let say I have initial grain (gamma) in place. I would like simulate only liquid and gamma phase in CMSX4 problem. In that case do I need to define anything in further nucleation data? I mean to say do I need to put any seed?
Question 3:
# Data for further nucleation
# ===========================
# Enable further nucleation?
# Options: nucleation nucleation_symm no_nucleation [verbose|no_verbose]
nucleation no_verbose
# Additional output for nucleation?
# Options: out_nucleation no_out_nucleation
no_out_nucleation
#
# Number of types of seeds?
3
#
# Input for seed type 1:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrate phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
1
# maximum number of new nuclei 1?
100000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
5.0000
# Shield effect:
# Shield time [s] [shield phase or group number] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
50.000
# Nucleation range
# min. nucleation temperature for seed type 1 [K]
0.000000
# max. nucleation temperature for seed type 1 [K]
1585.000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [s]
2.0000
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
nucleation_noise
# Factor for random noise?
# (applied as DeltaT -> (1+Factor*(RAND-1/2))*DeltaT)
1.000E-02
#
# Input for seed type 2:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrate phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
2
# maximum number of new nuclei 2?
100000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
5.0000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
random
# Shield effect:
# Shield time [s] [shield phase or group number] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
20.000
# Shall categorization be applied to this seed type?
# Options: categorize {Number} no_categorize
categorize 36
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
0.000000
# max. nucleation temperature for seed type 2 [K]
1500.000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [s]
5.0000
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
nucleation_noise
# Factor for random noise?
# (applied as DeltaT -> (1+Factor*(RAND-1/2))*DeltaT)
1.000E-02
#
# Input for seed type 3:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain]?
1 add_to_grain
# Which grain number the new grains shall be added to?
# # Options: grain_number (number) parent_grain new_set
parent_grain
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrate phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
0
# maximum number of new nuclei 3?
100000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
-1.00000E+05
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
random
# Shield effect:
# Shield time [s] [shield phase or group number] ?
0.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
1.000
# Shall categorization be applied to this seed type?
# Options: categorize {Number} no_categorize
no_categorize
# Nucleation range
# min. nucleation temperature for seed type 3 [K]
0.000000
# max. nucleation temperature for seed type 3 [K]
1400.000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [s]
1.0000
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Seed for random-number generator initialisation
# -----------------------------------------------
345
#
# Max. number of simultaneous nucleations?
# ----------------------------------------
# (set to 0 for automatic)
0
#
# Shall metastable small seeds be killed?
# ---------------------------------------
# Options: kill_metastable no_kill_metastable
no_kill_metastable
How to calculate min undercooling for each type of seed?
For seed type-1 which is gamma prime
From where you get shield time and shield distance? Are those values depend on domain size and cooling rates?
What is max temperature? Is it the temperature where one can expect the new phase (line gamma prime, etc...)
Regards
Parimal
Here is question related to nucleation.
Question:2
Let say I have initial grain (gamma) in place. I would like simulate only liquid and gamma phase in CMSX4 problem. In that case do I need to define anything in further nucleation data? I mean to say do I need to put any seed?
Question 3:
# Data for further nucleation
# ===========================
# Enable further nucleation?
# Options: nucleation nucleation_symm no_nucleation [verbose|no_verbose]
nucleation no_verbose
# Additional output for nucleation?
# Options: out_nucleation no_out_nucleation
no_out_nucleation
#
# Number of types of seeds?
3
#
# Input for seed type 1:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrate phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
1
# maximum number of new nuclei 1?
100000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
5.0000
# Shield effect:
# Shield time [s] [shield phase or group number] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
50.000
# Nucleation range
# min. nucleation temperature for seed type 1 [K]
0.000000
# max. nucleation temperature for seed type 1 [K]
1585.000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [s]
2.0000
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
nucleation_noise
# Factor for random noise?
# (applied as DeltaT -> (1+Factor*(RAND-1/2))*DeltaT)
1.000E-02
#
# Input for seed type 2:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrate phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
2
# maximum number of new nuclei 2?
100000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
5.0000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
random
# Shield effect:
# Shield time [s] [shield phase or group number] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
20.000
# Shall categorization be applied to this seed type?
# Options: categorize {Number} no_categorize
categorize 36
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
0.000000
# max. nucleation temperature for seed type 2 [K]
1500.000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [s]
5.0000
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
nucleation_noise
# Factor for random noise?
# (applied as DeltaT -> (1+Factor*(RAND-1/2))*DeltaT)
1.000E-02
#
# Input for seed type 3:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain]?
1 add_to_grain
# Which grain number the new grains shall be added to?
# # Options: grain_number (number) parent_grain new_set
parent_grain
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrate phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
0
# maximum number of new nuclei 3?
100000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
-1.00000E+05
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
random
# Shield effect:
# Shield time [s] [shield phase or group number] ?
0.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
1.000
# Shall categorization be applied to this seed type?
# Options: categorize {Number} no_categorize
no_categorize
# Nucleation range
# min. nucleation temperature for seed type 3 [K]
0.000000
# max. nucleation temperature for seed type 3 [K]
1400.000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [s]
1.0000
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Seed for random-number generator initialisation
# -----------------------------------------------
345
#
# Max. number of simultaneous nucleations?
# ----------------------------------------
# (set to 0 for automatic)
0
#
# Shall metastable small seeds be killed?
# ---------------------------------------
# Options: kill_metastable no_kill_metastable
no_kill_metastable
How to calculate min undercooling for each type of seed?
For seed type-1 which is gamma prime
From where you get shield time and shield distance? Are those values depend on domain size and cooling rates?
What is max temperature? Is it the temperature where one can expect the new phase (line gamma prime, etc...)
Regards
Parimal