From quantum mechanics to the physical metallurgy of steels

2013/10/14 by A. T. Paxton, Paxton, Anthony T
Engineering · Materials Science · #Advanced Materials Characterization Techniques #FOS: Physical sciences #Hydrogen embrittlement and corrosion behaviors in metals #Material Properties and Failure Mechanisms #Materials Science (cond-mat.mtrl-sci)

paper · pdf · doi:10.48550/arxiv.1310.3778

openalex publication_date 2013/10/14 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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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