concentration initilization

[ning]

Hi,
I tried to input a concentration map using from_file option. Could you please let me know the format of input file.
Thanks.

[Bernd]

Hi,

MICRESS is able to read the initial concentration fields either from an ASCII profile or a 2/3-dimensional ASCII array file. The input could e.g. look like that:

#
# Initial concentrations
# ======================
# How shall initial concentrations be set?
# Options: input equilibrium from_file [phase number]
from_file
# Concentration of component 1 (C) in phase 1 (FCC_A1) ? [at%] (for initialisation of TQ)
2.2000
# File for initialisation of concentration profile of component 1?
composition_map_C.txt
# Treatment of data?
# (n: none, 1: 1D, f: flip (bottom<->top), or t: transpose)?
n
# AnzX for initial concentration field of component 1 ?
300
# AnzZ for initial concentration field of component 1 ?
500
# Concentration of component 2 (CR) in phase 1 (FCC_A1) ? [at%] (for initialisation of TQ)
0.71000
# File for initialisation of concentration profile of component 2?
composition_map_CR.txt
# Treatment of data?
# (n: none, 1: 1D, f: flip (bottom<->top), or t: transpose)?
n
# AnzX for initial concentration field of component 2 ?
300
# AnzZ for initial concentration field of component 2 ?
500
#

For each ASCII file the dimensions (AnzX, AnzZ: number of grid points in x and z direction) have to be given, the compositions are interpolated to the actual dimension of the simulation domain. If necessary, the data can be flipped or transposed.

If a thermodynamic database is used, a composition for initialisation of the thermodynamic description has to be given additionally. From these data, an initial equilibrium is calculated, and the corresponding thermodynamic description is stored for all the interface regions. These data will be used until a relinearization is performed.

The easiest way of creating an ASCII input file is writing ASCII outputs for single time steps with Display_MICRESS. Such a file can afterwards serve as a template for the real data.

Bernd

[ning]

Following up this question.
What I should do if I want to input a 3D file? Thanks

[Bernd]

Dear ning,

My first information was not fully correct - for 3D, ASCII input is not possible, you need to use the VTK format.

Antoine will give you more information soon, but he is on holydays now. Please be patient.

Bernd

[ning]

Hi, Bernd:
Could you help clarify the problem a little bit more?
What's the reason to use VTK format for 3D input? If we are writing the code, 2D and 3D input don't make any difference...
If we have to use VTK, how to get this format? I have no experience with that.
Thanks
Ning

[Bernd]

Dear Ning,

I am sorry, I am also on holidays this week, so unfortunately I cannot help you at the moment. I know that Antoine has been preparing some information for you, so if you do not hear from him, please remind him by email:

a.carre@micress.de

Bernd