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Program MAP_KINETIC_CHEM_POT6

  1. Provenance of code.
  2. Purpose of code.
  3. Specification.
  4. Description of subroutine's operation.
  5. References.
  6. Parameter descriptions.
  7. Error indicators.
  8. Accuracy estimate.
  9. Any additional information.
  10. Example of code
  11. Auxiliary subroutines required.
  12. Keywords.
  13. Download source code.
  14. Links.

Provenance of Source Code

P. E. J. Rivera Díaz del Castillo
Phase Transformations and Complex Properties Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge, U.K.

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Purpose

To obtain the variation of chemical potentials and equilibrium precipitate and matrix compositions of a system at a given temperature as the pressure of the system is incremented.

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Specification

This program is to be compiled and run with the aid of MTDATA [1995].
Language:FORTRAN
Product form:Source code

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Description

The program varies the `pdV' or pressure term in MTDATA, and thus allows to obtain the change in equilibrium compositions of a system as the pressure or the surface energy term is varied. For each pressure value the equilibrium compositions of the matrix and precipitate are calculated, and the chemical potential of each component are obtained. The program presented here is set to run for 600oC.

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References

  1. P. E. J. Rivera Díaz del Castillo, Kinetics of Precipitation Reactions, Ph.D. Thesis, University of Cambridge.
  2. ``MTDATA: Metallurgical and thermochemical databank'', National Physical Laboratory, Teddington, Middx, UK, 1995.
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Parameters

Input parameters

none.

Output parameters

AVC - double precision
Average concentration of C in the alloy.

AVMO - double precision
Average concentration of Mo in the alloy.

PRESS - double precision
System pressure.

FC - double precision array of size 2500
Ferrite concentration of C.

FMO - double precision array of size 2500
Ferrite concentration of Mo

CC - double precision array of size 2500
Mo2C concentration of C.

CMO - double precision array of size 2500
Mo2C concentration of Mo.

CPC - double precision array of size 2500
Chemical potential of C.

CPM - double precision array of size 2500
Chemical potential of Mo.

CPF - double precision array of size 2500
Chemical potential of Fe.

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Error Indicators

None.

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Accuracy

No information supplied.

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Further Comments

The program is set to write the results to file 'chem.out'.

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Example

See file `chem.out'.

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Auxiliary Routines

The are no subroutines used in this program.

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Keywords

thermodynamic parameters, pressure, surface energy, MTDATA.

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Download

Download source code

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MAP originated from a joint project of the National Physical Laboratory and the University of Cambridge.
MAP Website administration / map@msm.cam.ac.uk

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