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COMPUTER MODELLING OF MATERIALS PROPERTIES

原文作者:
  N. Saunders, X. Li, A. P. Miodownik and J-Ph. Schillé
发布时间:
  2014-08-15
来    源:
  Thermotech Ltd.,The Surrey Research Park
下载链接:
Abstract
    Work is being undertaken at Thermotech on the development of a new multi-platform software programme called JMatPro for predicting a wide range of Materials Properties. These properties include thermo-physical and physical properties, mechanical properties, TTT/CCT diagrams etc. and the calculations are being applied to a variety of multi-component alloy types, such as Ni-based superalloys, steels, Ti-alloys, Al-alloys.The new programme is particularly aimed at multi-component alloys used in industrial practice and numerous examples of calculated results for the various properties will be presented with the emphasis being on validation of calculated results against experimental observation.
Introduction
    Thermodynamic modelling tools for exploring the equilibrium and phase relationships in complex materials have become increasingly used in actual industrial practice [1]. These tools provide benefit, but their applicability often falls short from directly providing the information that is actually required. For example, thermodynamic modelling helps towards the understanding of changes in phase constitution of a material as a function of composition or temperature. However, there is then a jump in translating this information into the properties being targeted by the end user, e.g. TTT diagrams, mechanical properties, thermo-physical and physical properties. The left hand side of Fig.1 shows a flow chart of the process that is usually undergone when only a thermodynamic calculation is used in a design process. The jump from thermodynamic calculation to the final understanding of materials properties is a significant one. It can only be achieved through further experimentation if quantitative information is required or through the knowledge and experience of the user if guidance of a more qualitative nature will suffice.
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