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International Hydrogen Conference (IHC 2012): Hydrogen-Materials Interactions

Editor
B. P. Somerday
B. P. Somerday
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P. Sofronis
P. Sofronis
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ISBN:
9780791860298
No. of Pages:
844
Publisher:
ASME Press
Publication date:
2014

Numerical modeling of industrial problems involving H-assisted degradation of complex alloys in real service environments is best approached by developing accurate descriptions of H diffusion and trapping at all length scales. In this paper, an overview of numerical models of H-microstructure interactions from the atomistic to the macro scale and a general framework for their integration are presented. The key aspect of this framework is the use of kinetic Monte Carlo (KMC) simulations based on atomistically-determined diffusion barriers to provide input data for finite element (FE) models. Examples of modelling at the atomistic, KMC and FE levels are given. The application of the models to degradation and reliability assessment as well as experimental methods for determining modelling parameters are discussed.

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