Materials Algorithms Project
Program Library

Program MAP_STEEL_SIMPOWER

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

J.D. Robson,
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge, U.K.

Top | Next

Purpose

To calculate the overall transformation kinetics of phases precipitating under diffusion controlled growth, with particular reference to the precipitation in power plant steels.

Top | Next | Prev

Specification

This is a self-contained program.

Top | Next | Prev

Description

The program reads thermodynamic data (e.g. from MTDATA or Thermocalc) from a pre-established database. It then calculates the evolution of volume fraction with time for up to six precipitates forming simultaneously.

Top | Next | Prev

References

1. J. D. Robson and H. K. D. H. Bhadeshia, 'Simultaneous Kinetics in Power Plant Steels: Part 1 - Kinetic Theory', Mat. Sci. Tech 13 (8) 631-639 1997.
2. J. D. Robson and H. K. D. H. Bhadeshia, 'Simultaneous Kinetics in Power Plant Steels: Part 2 - Application of Kinetic Theory', Mat. Sci. Tech 13 (8) 640-644 1997.
3. J. D. Robson, PhD Thesis, University of Cambridge, 1996
4. J. D. Robson and H. K. D. H. Bhadeshia, 'Kinetics of Precipitation in Power Plant Steels', Calphad, 20 (4) 447-446 1996.
5. J. D. Robson and H. K. D. H. Bhadeshia, 'Modelling the Development of Microstructure in Power Plant Steels', Microstructural Development and Stability in High Chromium Power Plant Steels, eds A. Strang and D.J. Gooch, Institute of Materials, London, 1997.

Top | Next | Prev

Parameters

Input parameters

TK - double precision

Temperature in K.

DG - double precision array of size 6

Driving force for formation of phase 1-6.

XB - double precision array of size 6

Mean composition of species 1-6 (mole fraction).

XC - double precision array of size 6x6

Equilibrium composition of species 1-6 in phase 1-6 (mole fraction).

XA - double precision array of size 6x6

Composition of species 1-6 matrix in equilibrium with phase 1-6 (mole fraction).

VMAX - double precision array of size 6

Maximum volume fraction of phase 1-6.

SFEN - double precision array of size 6

Interfacial energy for nuclei of phase 1-6 (Jm^-2).

NAD - double precision array of size 6

Nucleation site density factor for phases 1-6.

CTYPE - double precision array of size 6

Morphology for phases 1-6.

1 = Needle shaped

2 = Spherical

DS - double precision array of size 6

Species assumed to be controlling growth for phase 1-6.

Output parameters

V - double precision array of size 6

Volume fraction of phases 1-6.

THRS - double precision

Time in hours.

GMOD - double precision array of size 6

Extent of reaction parameter for phases 1-6.

Top | Next | Prev

Error Indicators

None.

Top | Next | Prev

Accuracy

No information supplied.

Top | Next | Prev

Further Comments

The program is set to read the input data from an ASCII text file 'datain.d' and to write the results to file 'dataout.d'. An sample version of 'datain.d' is provided.

Top | Next | Prev

Example

1. Program text

       Complete program

2. Program data

0.0D0
1.0D0
0.0D0
1.0D0
0.20304d-1
0.0D0
0.0D0
0.20304d-1
0.10890
0.64957
0.10700
0.2481
5d-8
1.0D0
1.0D0
0.021904
0.024523
-0.33073d3
0.021904
0.1089
0.49757
0.09996
50.0D0
873.0D0

3. Program results

 0.27778D-01 0.20304D-01 0.99225D-06
 0.41667D-01 0.20304D-01 0.59515D-05
 0.41667D-01 0.20304D-01 0.59515D-05
 0.55556D-01 0.20304D-01 0.19824D-04
 0.55556D-01 0.20304D-01 0.19824D-04
 0.69444D-01 0.20304D-01 0.49483D-04
 0.69444D-01 0.20304D-01 0.49483D-04
 0.83333D-01 0.20304D-01 0.10361D-03
 0.83333D-01 0.20304D-01 0.10361D-03
 0.97222D-01 0.20304D-01 0.19245D-03
 0.97222D-01 0.20304D-01 0.19245D-03
 0.11111D+00 0.20304D-01 0.32732D-03
 0.11111D+00 0.20304D-01 0.32732D-03
 0.12500D+00 0.20304D-01 0.51995D-03
 0.12500D+00 0.20304D-01 0.51995D-03
 0.13889D+00 0.20304D-01 0.78143D-03
 0.13889D+00 0.20304D-01 0.78143D-03
 0.15278D+00 0.20304D-01 0.11210D-02
 0.15278D+00 0.20304D-01 0.11210D-02
 0.16667D+00 0.20304D-01 0.15448D-02
 0.16667D+00 0.20304D-01 0.15448D-02
 0.18056D+00 0.20304D-01 0.20545D-02
 0.18056D+00 0.20304D-01 0.20545D-02
 0.19444D+00 0.20304D-01 0.26467D-02
 0.19444D+00 0.20304D-01 0.26467D-02
 0.20833D+00 0.20304D-01 0.33129D-02
 0.20833D+00 0.20304D-01 0.33129D-02
 0.22222D+00 0.20304D-01 0.40404D-02
 0.22222D+00 0.20304D-01 0.40404D-02
 0.23611D+00 0.20304D-01 0.48130D-02
 0.23611D+00 0.20304D-01 0.48130D-02
CEMENTITE ENRICHMENT COMPLETE
 0.25000D+00 0.19125D-01 0.56145D-02
 0.25000D+00 0.19125D-01 0.56145D-02
 0.26389D+00 0.18079D-01 0.64289D-02
 0.26389D+00 0.18079D-01 0.64289D-02
 0.27778D+00 0.17144D-01 0.72405D-02
 0.27778D+00 0.17144D-01 0.72405D-02
 0.29167D+00 0.16303D-01 0.80364D-02
 0.29167D+00 0.16303D-01 0.80364D-02
 0.30556D+00 0.15542D-01 0.88065D-02
 0.30556D+00 0.15542D-01 0.88065D-02
 0.31944D+00 0.14851D-01 0.95439D-02
 0.31944D+00 0.14851D-01 0.95439D-02
 0.33333D+00 0.14220D-01 0.10244D-01
 0.33333D+00 0.14220D-01 0.10244D-01
 0.34722D+00 0.13641D-01 0.10904D-01
 0.34722D+00 0.13641D-01 0.10904D-01
 0.36111D+00 0.13108D-01 0.11524D-01
 0.36111D+00 0.13108D-01 0.11524D-01
 0.37500D+00 0.12617D-01 0.12103D-01
 0.37500D+00 0.12617D-01 0.12103D-01
 0.38889D+00 0.12161D-01 0.12644D-01
 0.38889D+00 0.12161D-01 0.12644D-01
 0.40278D+00 0.11738D-01 0.13148D-01
 0.40278D+00 0.11738D-01 0.13148D-01
 0.41667D+00 0.11344D-01 0.13617D-01
 0.41667D+00 0.11344D-01 0.13617D-01
 0.43056D+00 0.10975D-01 0.14053D-01
 0.43056D+00 0.10975D-01 0.14053D-01
 0.44444D+00 0.10631D-01 0.14459D-01
 0.44444D+00 0.10631D-01 0.14459D-01
 0.45833D+00 0.10307D-01 0.14837D-01
 0.45833D+00 0.10307D-01 0.14837D-01
 0.56944D+00 0.82958D-02 0.17079D-01
 0.56944D+00 0.82958D-02 0.17079D-01
 0.72222D+00 0.65485D-02 0.18805D-01
 0.72222D+00 0.65485D-02 0.18805D-01
 0.90278D+00 0.52480D-02 0.19915D-01
 0.90278D+00 0.52480D-02 0.19915D-01
 0.11250D+01 0.42200D-02 0.20675D-01
 0.11250D+01 0.42200D-02 0.20675D-01
 0.14167D+01 0.33589D-02 0.21226D-01
 0.14167D+01 0.33589D-02 0.21226D-01
 0.17778D+01 0.26826D-02 0.21601D-01
 0.17778D+01 0.26826D-02 0.21601D-01
 0.22222D+01 0.21506D-02 0.21859D-01
 0.22222D+01 0.21506D-02 0.21859D-01
PRECIPITATION OF PHASE COMPLETE FOR PHASE   2
**ALL TRANSFORMATIONS COMPLETE**

Top | Next | Prev

Auxiliary Routines

The subroutines called by this program are :-

CONST
GROWTH
LINEARGROWTH
PARABOLGROWTH
SIZE
NURATE
DIFCO
USER
LINECALC

Top | Next | Prev

Keywords

simultaneous transformation, power plant steel

Top | Next | Prev

Download

Download source code

Top | Prev