Computational tools for alloy design: Solid solutions in Gamma-TiAl

Author: Rao S.   Dimiduk D.   Woodward C.  

Publisher: Springer Publishing Company

ISSN: 1543-1851

Source: JOM, Vol.50, Iss.7, 1998-07, pp. : 37-41

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Abstract

Since the early days of quantum mechanics and computer science, computationally based materials design has been the dream of the materials community. Computational methods have become an integral part in the design of drugs, optical, and electronic devices. While computational tools have been developed to study specific structure-property relationships in structural materials, the overall materials problem has remained, for the most part, in the domain of empirical metallurgy. Computational methods can help to identify and understand basic technical factors controlling and limiting the performance of high-temperature structural materials. We have used several computational methods to study the influence of alloy chemistry on the flow behavior of monolithic γ-TiAl. Here, the results of several of these studies and how these insights have or may impact the alloy design process are reviewed.