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Software products for modelling and simulation in materials science

S. Malinov ( s-DOT-malinov-AT-qub-DOT-ac-DOT-uk.gif ), W. Sha
The Queen's University Belfast, School of Civil Engineering, Belfast, BT7 1NN, UK

Models and software products have been developed for modelling, simulation and prediction of different correlations in materials science, including

  1. the correlation between processing parameters and properties in titanium alloys and -titanium aluminides;
  2. time-temperature-transformation (TTT) diagrams for titanium alloys;
  3. corrosion resistance of titanium alloys;
  4. surface hardness and microhardness profile of nitrocarburised layers;
  5. fatigue stress life (S-N) diagrams for Ti-6Al-4V alloys.

The programs are based on trained artificial neural networks. For each particular case appropriate combination of inputs and outputs is chosen. The predictions from the software are compared with experimental data. Very good performances of the models are achieved.

Graphical user interfaces (GUI) are created for easy use of the models. In addition interactive text versions are developed. The models designed are combined with computer programs for optimisation of the inputs in order to achieve desirable combination of outputs. The software products are available in versions for different platforms including Windows 95/98/2000/NT, UNIX, and Apple Macintosh.

Presentations of the software products will be given, to demonstrate that the software products developed are convenient and powerful tools for practical applications in solving various problems in materials science. Examples for optimisation of the alloy compositions, processing parameters, microstructure and working conditions will be illustrated. Evaluation versions for the different models and platforms are available.