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Title: Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress

Abstract

This report summarizes the progress on modeling hydrogen diffusivity in Zr-based alloys. The presence of hydrogen (H) can detrimentally affect the mechanical properties of many metals and alloys. To mitigate these detrimental effects requires fundamental understanding of the thermodynamics and kinetics governing H pickup and hydride formation. In this work, we focus on H diffusion in Zr-based alloys by studying the effects of alloying elements and stress, factors that have been shown to strongly affect H pickup and hydride formation in nuclear fuel claddings. A recently developed accelerated kinetic Monte Carlo method is used for the study. It is found that for the alloys considered here, H diffusivity depends weakly on composition, with negligible effect at high temperatures in the range of 600-1200 K. Therefore, the small variation in compositions of these alloys is likely not a major cause of the very different H pickup rates. In contrast, stress strongly affects H diffusivity. This effect needs to be considered for studying hydride formation and delayed hydride cracking.

Authors:
 [1];  [1];  [1]
  1. Idaho National Lab. (INL), Idaho Falls, ID (United States)
Publication Date:
Research Org.:
Idaho National Lab. (INL), Idaho Falls, ID (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1376196
Report Number(s):
INL/EXT-17-42435
TRN: US1800548
DOE Contract Number:  
AC07-05ID14517
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; HYDROGEN; HYDRIDES; ALLOYS; CLADDING; METALS; MECHANICAL PROPERTIES; alloying elemen; hydrogen diffusivity; kinetic Monte Carlo; stress effect; Zr-based alloys

Citation Formats

Yu, J., Jiang, C., and Zhang, Y.. Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress. United States: N. p., 2017. Web. doi:10.2172/1376196.
Yu, J., Jiang, C., & Zhang, Y.. Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress. United States. doi:10.2172/1376196.
Yu, J., Jiang, C., and Zhang, Y.. Thu . "Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress". United States. doi:10.2172/1376196. https://www.osti.gov/servlets/purl/1376196.
@article{osti_1376196,
title = {Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress},
author = {Yu, J. and Jiang, C. and Zhang, Y.},
abstractNote = {This report summarizes the progress on modeling hydrogen diffusivity in Zr-based alloys. The presence of hydrogen (H) can detrimentally affect the mechanical properties of many metals and alloys. To mitigate these detrimental effects requires fundamental understanding of the thermodynamics and kinetics governing H pickup and hydride formation. In this work, we focus on H diffusion in Zr-based alloys by studying the effects of alloying elements and stress, factors that have been shown to strongly affect H pickup and hydride formation in nuclear fuel claddings. A recently developed accelerated kinetic Monte Carlo method is used for the study. It is found that for the alloys considered here, H diffusivity depends weakly on composition, with negligible effect at high temperatures in the range of 600-1200 K. Therefore, the small variation in compositions of these alloys is likely not a major cause of the very different H pickup rates. In contrast, stress strongly affects H diffusivity. This effect needs to be considered for studying hydride formation and delayed hydride cracking.},
doi = {10.2172/1376196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jun 01 00:00:00 EDT 2017},
month = {Thu Jun 01 00:00:00 EDT 2017}
}

Technical Report:

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