TCNi8 phases

Discussion of numerical issues which are not directly linked to specific applications
JACEK
Posts: 3
Joined: Tue May 16, 2017 10:53 am
anti_bot: 333

TCNi8 phases

Postby JACEK » Mon May 22, 2017 5:07 pm

Hi
We have truoble with running dri file after set GES file using following formula:

go da
sw TCNI8def-el AL CO CR HF MO NI RE TA TI W
rej
PHASES
*
rest
p
LIQUID FCC_L12 FCC_L12#2
get
a-d
MOBNI4
def-el AL CO CR HF MO NI RE TA TI W
rej
PHASES
*
rest
p
LIQUID FCC_L12:L
get
go g
save CMSX4
exit

After running dri file we have obtained different phases than we want

# The database contains 4 phases:
# 1: LIQUID
# 2: BCC_B2
# 3: BCC_B2#2
# 4: HALITE
# Specify relation between phase indices Micress -> TC!
# The matrix phase has in MICRESS the index 0
# Thermo-Calc index of the (MICRESS) phase 0?
1
# Thermo-Calc index of the (MICRESS) phase 1?
2
# Thermo-Calc index of the (MICRESS) phase 2?
3
# 0 -> LIQUID
# 1 -> BCC_B2
# 2 -> BCC_B2#2

Could You recomend some actions/changes please?

Maybe I will send You our files and You could run them yourself for verification ?
Jacek

ralph
Posts: 44
Joined: Wed Apr 27, 2011 4:42 pm
anti_bot: 333

Re: TCNi8 phases

Postby ralph » Tue May 23, 2017 5:35 pm

Dear Jacek,

seems that you mixed up something in your post.
It is impossible to obtain BBC and Halite phases with the TCM code you posted.

See also Janin's answer to your support email with further advice.

Ralph

Bernd
Posts: 760
Joined: Mon Jun 23, 2008 9:29 pm

Re: TCNi8 phases

Postby Bernd » Tue May 23, 2017 11:08 pm

Dear JACEK,

You should execute the .TCM script which creates the .ges5 file line by line in Thermo-Calc in order to be able to see from the screen output whether the input was accepted and the corresponding action was taken. Then you would see probably (given you use input as shown in your post) that syntax is not correct, and the actions are not beeing taken. Then (based on the default database TCFE8 and no elements defined) it is reasonable that you get phases like HALIDE...
Furthermore, it is a misconcept to define compositions set (FCC_L12#2), because at this level only FCC_L12 exists. FCC_L12#2 will be created automatically with the get command later in the script.

Bernd


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