[MAP Logo]

Materials Algorithms Project
Program Library


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

Provenance of Source Code

Fabien Carrara
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge CB2 3QZ, U.K.

E-mail: carrarafabien@yahoo.fr

Added to MAP: June 2003.

Top | Next


Describes the nucleation, growth and coarsening of precipitates as a function of time.

Top | Next | Prev


Language: FORTRAN
Product form: Source code

Complete program.

Top | Next | Prev


This model accounts for the whole process of appearance and disappearance of precipitates: nucleation, growth and coarsening. The program starts in a volume of matrix, devoid of particles and whose average concentration in solute is directly given by the composition of the steel. Two types of nucleation can occur: an easy nucleation which represents the situation at the grain boundary, and a more difficult one assumed as homogeneous and symbolising nucleation everywhere else. Number densities of sites are input and take into account the gap between the initial numbers of available sites in both cases.

During the early stages of the model, nucleation and growth occur simultaneously. Once nucleation is considered as negligible, only growth of the existing precipitates goes on. Coarsening appears as the natural following of growth.

Top | Next | Prev


  1. J.W. Christian, 1975, Theory of Transformations in Metals and Alloys, Pergamond Press, Oxford .
  2. F. Carrera, 2003, Report describing the present work, 2003, Cambridge University Press.

Top | Next | Prev


Input parameters

Q - db
Activation energy for transfert of atoms across the matrix-prec interface (J/mol).

Sgb - db
Interfacial energy for the grain boundary (J/m2).

Smp - db
Interfacial energy for the interface prec-matrix (J/m2).

Vmol - db
Volume molaire of the prec (m3/mol).

D - db
Diffusion coefficient of the solute in the matrix (m2/s).

Xpm - db
Mole fraction of solute in the prec in equilibrium with the matrix.

Xmp - db
Mole fraction of solute in the matrix in equilibrium with the prec.

Xbulk - db
Bulk mole fraction.

dt - db
Time step (s).

Nv(1) - db
Number density of sites (heterogeneous nucleation) (/m3).

Nv(2) - db
Number density of sites (homogeneous nucleation) (/m3).

Output parameters

rad - db
radius of precipitates (m).

Ntot - db
Number of particles.

averad - db
Average radius of precipitates (m).

Top | Next | Prev

Error Indicators


Top | Next | Prev


No information supplied.

Top | Next | Prev

Further Comments


Top | Next | Prev


1. Program text

Complete program.

2. Program data

3. Program results

The results are in the files radint, radgb, Cb

Top | Next | Prev

Auxiliary Routines


Top | Next | Prev


Coarsening, nucleation

Top | Next | Prev


Download source code

Top | Prev

MAP originated from a joint project of the National Physical Laboratory and the University of Cambridge.

Top | Program Index | MAP Homepage Valid HTML 3.2!