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From quantum mechanics to physical metallurgy of steels

Research output: Contribution to journalArticle

Original languageEnglish
Pages (from-to)1063-1070
Number of pages8
JournalMATERIALS SCIENCE AND TECHNOLOGY
Volume30
Issue number9
Early online date27 Feb 2014
DOIs
Publication statusPublished - Jul 2014

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Abstract

In the last decade there has been a breakthrough in the construction of theories leading to models for the simulation of atomic scale processes in steel. In this paper the theory is described and developed and used to demonstrate calculations of the diffusivity and trapping of hydrogen in iron and the structures of carbon vacancy complexes in steel.

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