Chapter 79
Industrially-Relevant Multiscale Modeling of Hydrogen Assisted Degradation


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.

  • Introduction
  • Continuum Modeling of H Diffusion and Trapping
  • Bridging the Scales: KMC Simulations of H Diffusion
  • Atomistic Descriptions of Hydrogen-Metal Interactions
  • Application of Models to Reliability and Lifetime Assessment
  • Experimental Determination of Modeling Parameters
  • Summary
  • Acknowledgements
  • References

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