|About this Abstract
||2014 TMS Annual Meeting & Exhibition
||Multiscale Approaches to Hydrogen-assisted Degradation of Metals
||The Effect of Alloying on the Properties of Metal-Hydrogen Systems: Modeling and Simulation of Diffusion, Dislocation Loops, and Phase Changes.
||Clive Freeman, Mikael Christensen, Walter Wolf, Paul Saxe, Erich Wimmer
|On-Site Speaker (Planned)
A clearer understanding of the role of hydrogen on mechanical and structural properties is of particular relevance for systems operating under high pressures or extreme conditions. The present contribution focuses on the zirconium-hydrogen system, where systematic modeling has recently provided insights into dimensional changes in zircaloy. First-principles studies connect structural properties, thermodynamic phase stability, and diffusional jump rates to phenomena such as the formation of dislocation loops and the effect of hydrogen on their formation. This approach can be applied to other alloy systems such as hydrogen storage materials. Simulations connecting accurate first-principles computations with larger-scale methods as illustrated in the present work are helping to meet the challenge of designing and extending structural and functional materials with improved and safer performance in a variety of critical applications.
||Planned: Paper Selections