Published 2012 | Version v1
Miscellaneous Metadata-only

Molecular dynamics simulation of zirconium and zirconium hydride

Creators

  • 1. Univ. of Saskatchewan, Dept. of Mechanical Engineering, Saskatoon, Saskatchewan (Canada)
  • 2. Univ. of Saskatchewan, Dept. of Physics and Engineering Physics, Saskatoon, Saskatchewan (Canada)

Description

Molecular dynamics simulations were performed on pure α-Zr and δ-ZrH2 in order to obtain a proper choice of potential. The EAM and MEAM potential were able to successfully predict the variation in Lattice parameter and Elastic Modulus with the experimental results. Interfacial cracking of zirconium hydride was observed with use of MEAM potential. A proper choice of potential paves a way for studying complicated engineering problems like failure due to hydride reorienting in zirconium. (author)

Part of:
Building on our past... building for the future. 33rd Annual Canadian Nuclear Society conference and 36th CNS/CNA student conference

Additional details

Publishing Information

Publisher
Canadian Nuclear Society
Imprint Place
Toronto, Ontario (Canada)
ISBN
978-1-926773-094
Imprint Title
Building on our past... building for the future. 33rd Annual Canadian Nuclear Society conference and 36th CNS/CNA student conference
Imprint Pagination
189 Megabytes
Journal Page Range
[6 p.]

Conference

Title
33. Annual Canadian Nuclear Society conference; 36. CNS/CNA student conference
Dates
10-13 Jun 2012
Place
Saskatoon, Saskatchewan (Canada)

INIS

Country of Publication
Canada
Country of Input or Organization
Canada
INIS RN
47018148
Subject category
S36: MATERIALS SCIENCE;
Resource subtype / Literary indicator
Conference, Non-conventional Literature
Descriptors DEI
COMPUTERIZED SIMULATION; CRACKING; ELASTICITY; LATTICE PARAMETERS; MOLECULAR DYNAMICS METHOD; ZIRCONIUM; ZIRCONIUM HYDRIDES
Descriptors DEC
CALCULATION METHODS; CHEMICAL REACTIONS; DECOMPOSITION; ELEMENTS; HYDRIDES; HYDROGEN COMPOUNDS; MECHANICAL PROPERTIES; METALS; PYROLYSIS; SIMULATION; THERMOCHEMICAL PROCESSES; TRANSITION ELEMENT COMPOUNDS; TRANSITION ELEMENTS; ZIRCONIUM COMPOUNDS

Optional Information

Notes
15 refs., 4 tabs., 5 figs.