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Recent Advances in the Study of Structural Materials Compatibility with Hydrogen
Author(s) -
Dadfarnia M.,
Novak P.,
Ahn D. C.,
Liu J. B.,
Sofronis P.,
Johnson D. D.,
Robertson I. M.
Publication year - 2010
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.200904354
Subject(s) - hydrogen embrittlement , materials science , hydrogen , microscale chemistry , embrittlement , grain boundary , plasticity , hydride , ab initio , multiscale modeling , finite element method , metallurgy , thermodynamics , composite material , computational chemistry , microstructure , metal , corrosion , chemistry , mathematics education , mathematics , organic chemistry , physics , quantum mechanics
Abstract Hydrogen is a ubiquitous element that enters materials from many different sources. It almost always has a deleterious effect on mechanical properties. In non‐hydride‐forming systems, research to date has identified hydrogen‐enhanced localized plasticity and hydrogen‐induced decohesion as two viable mechanisms for embrittlement. However, a fracture prediction methodology that associates macroscopic parameters with the degradation mechanisms at the microscale has not been established, as of yet. In this article, we report recent work on modeling and simulation of hydrogen‐induced crack initiation and growth. Our goal is to develop methodologies to relate characteristics of the degradation mechanisms from microscopic observations and first‐principles calculations with macroscopic indices of embrittlement. The approach we use involves finite element analysis of the coupled hydrogen transport problem with hydrogen‐assisted elastoplastic deformation, thermodynamic theories of decohesion, and ab initio density functional theory calculations of the hydrogen effect on grain boundaries.