Hello Bernd,
I would like to simulate the Solidification for Ni-based alloy system. Suppose, if I don't have Thermodynamic and Mobility Databases. Can I simulate the solidification in MICRESS? If yes, Please let me know the procedure. I read previous topic in this forum but unfortunately no one has similar problem for supper alloy based system hence I raised a new request.
Regards
Parimal
Without Thermodynamic and Mobility Database for Solidification Simulation
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Re: Without Thermodynamic and Mobility Database for Solidification Simulation
Hi Parimal,
in principle, the answer is "yes". However, you cannot reasonably describe the multicomponent superalloys with multicomponent linearized phase diagrams, i.e. it would be wise rather to refer to a pseudo-binary diagram. This automatically restricts you to considering only liquid and fcc as phases.
I did this once for 3D-Dendrites of IN718 for sake of simulation speed. Until a fraction of liquid of ~50% the result was practically identical to a multicomponent simulation. Of course, you should not expect to be able to describe processes towards the end of solidification where other phases come into play...
Bernd
in principle, the answer is "yes". However, you cannot reasonably describe the multicomponent superalloys with multicomponent linearized phase diagrams, i.e. it would be wise rather to refer to a pseudo-binary diagram. This automatically restricts you to considering only liquid and fcc as phases.
I did this once for 3D-Dendrites of IN718 for sake of simulation speed. Until a fraction of liquid of ~50% the result was practically identical to a multicomponent simulation. Of course, you should not expect to be able to describe processes towards the end of solidification where other phases come into play...
Bernd
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- Posts: 22
- Joined: Tue Mar 07, 2017 10:50 am
- anti_bot: 333
Re: Without Thermodynamic and Mobility Database for Solidification Simulation
Hello Bernard,
Thank you for your reply.
Lets say, I am ok with pseudo-binary phase with liquid and FCC as phase. How to use this for multi-components system? Could you please let me know the procedure?
As you said you have done this before, could you please share your driving file with me. If I have further questions on the driving file I will post that accordingly.
Regards
Parimal
Thank you for your reply.
Lets say, I am ok with pseudo-binary phase with liquid and FCC as phase. How to use this for multi-components system? Could you please let me know the procedure?
As you said you have done this before, could you please share your driving file with me. If I have further questions on the driving file I will post that accordingly.
Regards
Parimal
Re: Without Thermodynamic and Mobility Database for Solidification Simulation
Dear Parimal,
For calculation of a pseudo-binary phase diagram I derived the relations
If need a reference for that, I published the formulae in:
B. Böttger, C. Haberstroh, N. Giesselmann, "Cross-Permeability of the Semisolid Region in Directional Solidification: A Combined Phase-Field and Lattice-Boltzmann Simulation Approach", JOMM 68 1 (2016) 27-36 DOI: http://dx.doi.org/10.1007/s11837-015-1690-3
In those times, I made the comparison to a multicomponent simulation coupled to the TTNI6 database, and it turned out that the results (fraction solid vs. temperature for 3D-dendrite growth) was pretty the same for small values of fraction solid:
Starting from the linearization output in the .log file I calculated the pseudo-binary parameters for the "linearTQ" where the derivatives dc/dt are treated analogously to the concentrations themselves.
The formula works only for atomic percent, therefore I made the MICRESS input in at% like:
....
# Concentration data
# ==================
# Number of dissolved constituents? (int)
1
# Type of concentration?
# Options: atom_percent (at%)
# weight_percent (wt%)
atom_percent
#
# Finish input of diffusion data with 'end_diffusion_data'.
#
# Options: diff no_diff infinite infinite_restricted
# multi database_global database_local from_file
# [+b] for grain-boundary diffusion
# ('multi' can be followed by a string of "n", "d", "g", "l", or "f"
# to describe each contribution: respectively no diffusion,
# user-defined diffusion coefficient,'global' or 'local' value from
# database, and 'from file, the default is global values from database).
# Extra line option (prefactor on time step): cushion <0-1>
# Extra line option: infinite_limit [cm**2/s]
# How shall diffusion of component 1 in phase 0 be solved?
1 0 diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
1.00000E-05
# Activation energy? (real) [J/mol]
0.0000
# How shall diffusion of component 1 in phase 1 be solved?
1 1 diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
1.00000E-08
# Activation energy? (real) [J/mol]
0.0000
end_diffusion_data
#
#
# Phase diagram - input data
# ==========================
#
# List of phases and components which are stoichiometric:
# phase and component(s) numbers
# List of concentration limits:
# <Limits>, phase number and component number
# End with 'no_more_stoichio' or 'no_stoichio'
no_more_stoichio
#
#
#
#
# Is a thermodynamic database to be used?
# Options: database database_verbose no_database
no_database
#
# Input of the phase diagram of phase 0 and phase 1:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: linear linearTQ
linearTQ
# Please input linearisation data in the TQ format!
# T0 [K] ?
1617.8000
# dG [J/cm**3] ?
-10.818460
# dSf+ [J/cm**3K] ?
1.0442562
# dSf- [J/cm**3K] ?
0.99451601
# dH [J/cm**3] (dummy)?
1343.7991
# c0 von Komponente 1 in phase 0 ? [at%]
51.4075
# c0 von Komponente 1 in phase 1 ? [at%]
46.7872
# m of component 1 in phase 0 ? [at%]
-14.2460
# m of component 1 in phase 1 ? [at%]
-55.2064
# dcdT of component 1 in phase 0 ? [at%]
-2.63E-3
# dcdT of component 1 in phase 1 ? [at%]
3.24E-3
# Please specify the redistribution behaviour of each component:
# Format: forward [backward]
# Options: nple para paraTQ normal ATC [mob_corr|verbose]
# Component 1
normal
#
#
# Initial concentrations
# ======================
# How shall initial concentrations be set?
# Options: input equilibrium from_file [phase number]
equilibrium
# Initial concentration of component 1 in phase 0 ? [at%]
51.407
#
...
Bernd
For calculation of a pseudo-binary phase diagram I derived the relations
If need a reference for that, I published the formulae in:
B. Böttger, C. Haberstroh, N. Giesselmann, "Cross-Permeability of the Semisolid Region in Directional Solidification: A Combined Phase-Field and Lattice-Boltzmann Simulation Approach", JOMM 68 1 (2016) 27-36 DOI: http://dx.doi.org/10.1007/s11837-015-1690-3
In those times, I made the comparison to a multicomponent simulation coupled to the TTNI6 database, and it turned out that the results (fraction solid vs. temperature for 3D-dendrite growth) was pretty the same for small values of fraction solid:
Starting from the linearization output in the .log file I calculated the pseudo-binary parameters for the "linearTQ" where the derivatives dc/dt are treated analogously to the concentrations themselves.
The formula works only for atomic percent, therefore I made the MICRESS input in at% like:
....
# Concentration data
# ==================
# Number of dissolved constituents? (int)
1
# Type of concentration?
# Options: atom_percent (at%)
# weight_percent (wt%)
atom_percent
#
# Finish input of diffusion data with 'end_diffusion_data'.
#
# Options: diff no_diff infinite infinite_restricted
# multi database_global database_local from_file
# [+b] for grain-boundary diffusion
# ('multi' can be followed by a string of "n", "d", "g", "l", or "f"
# to describe each contribution: respectively no diffusion,
# user-defined diffusion coefficient,'global' or 'local' value from
# database, and 'from file, the default is global values from database).
# Extra line option (prefactor on time step): cushion <0-1>
# Extra line option: infinite_limit [cm**2/s]
# How shall diffusion of component 1 in phase 0 be solved?
1 0 diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
1.00000E-05
# Activation energy? (real) [J/mol]
0.0000
# How shall diffusion of component 1 in phase 1 be solved?
1 1 diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
1.00000E-08
# Activation energy? (real) [J/mol]
0.0000
end_diffusion_data
#
#
# Phase diagram - input data
# ==========================
#
# List of phases and components which are stoichiometric:
# phase and component(s) numbers
# List of concentration limits:
# <Limits>, phase number and component number
# End with 'no_more_stoichio' or 'no_stoichio'
no_more_stoichio
#
#
#
#
# Is a thermodynamic database to be used?
# Options: database database_verbose no_database
no_database
#
# Input of the phase diagram of phase 0 and phase 1:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: linear linearTQ
linearTQ
# Please input linearisation data in the TQ format!
# T0 [K] ?
1617.8000
# dG [J/cm**3] ?
-10.818460
# dSf+ [J/cm**3K] ?
1.0442562
# dSf- [J/cm**3K] ?
0.99451601
# dH [J/cm**3] (dummy)?
1343.7991
# c0 von Komponente 1 in phase 0 ? [at%]
51.4075
# c0 von Komponente 1 in phase 1 ? [at%]
46.7872
# m of component 1 in phase 0 ? [at%]
-14.2460
# m of component 1 in phase 1 ? [at%]
-55.2064
# dcdT of component 1 in phase 0 ? [at%]
-2.63E-3
# dcdT of component 1 in phase 1 ? [at%]
3.24E-3
# Please specify the redistribution behaviour of each component:
# Format: forward [backward]
# Options: nple para paraTQ normal ATC [mob_corr|verbose]
# Component 1
normal
#
#
# Initial concentrations
# ======================
# How shall initial concentrations be set?
# Options: input equilibrium from_file [phase number]
equilibrium
# Initial concentration of component 1 in phase 0 ? [at%]
51.407
#
...
Bernd