Computational design of nanostructured steels employing irreversible thermodynamics

Abstract

Recent theory demonstrates that the Kocks–Mecking formulation of plasticity has a foundation in multiscale irreversible thermodynamics. The key terms in the formulation can be obtained form experiments and from fundamental calculations. This offers two advantages to materials scientists and alloy designers: the Kocks–Mecking approach goes beyond being a phenomenological approach, gaining a solid physical foundation in multiscale computational physics; the new formulation can be employed to conceive new alloys displaying complex synergistic interactions at several scales and among several phases. This approach is ideal for designing and modelling nanostructured steels. This work incorporates four concomitant strengthening effects: solid solution, Hall–Petch, dislocation forest and precipitation. The new formulation is applied to nanostructured martensitic, dual phase and twinning induced plasticity steels, describing with excellent accuracy of their stress–strain behaviour.

Keywords:

• Nanostructured steels
• Plasticity
• Modelling
• Irreversible thermodynamics
• Alloy design
• TWIP steels

The authors are grateful to Professor A. L. Greer for the provision of laboratory facilities. KH is grateful to Nippon Steel Corporation for supporting a visitorship at the University of Cambridge. EIGN is grateful to the National Council of Science and Technology of Mexico (CONACYT) via the program ‘Becas para estudios de posgrado en el extranjero’ and the Roberto Rocca Education Program for the provision of financial support.

Notes

This paper is part of a special issue on Nanoengineering in the Modern Steel Industry