A Review on Hydride Precipitation in Zirconium Alloys


Nucleation and formation of hydride precipitates in zirconium alloys have been an important factor in limiting the lifetime of nuclear fuel cladding for over 50 years. This review provides a concise summary of experimental and computational studies performed on hydride precipitation in zirconium alloys since the 1960's. Different computational models, including density functional theory, molecular dynamics, phase field, and finite element models applied to study hydride precipitation are reviewed, with specific consideration given to the phase field model, which has become a popular and powerful computational tool for modeling microstructure evolution. The strengths and weaknesses of these models are discussed in detail. An outline of potential future work in this area is discussed as well.


Materials Science and Engineering

Research Center/Lab(s)

Center for High Performance Computing Research

Keywords and Phrases

Abstracting; Computation theory; Computational chemistry; Computational methods; Density functional theory; Hydrides; Microstructure; Molecular dynamics; Phase interfaces; Precipitation (chemical); Ternary alloys; Zirconium; Zirconium alloys; Computational model; Computational studies; Computational tools; Modeling microstructures; Phase field models; Phase fields; Finite element method

International Standard Serial Number (ISSN)


Document Type

Article - Journal

Document Version


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© 2015 Elsevier, All rights reserved.

Publication Date

01 Nov 2015