Published April 15, 2016
| Version v1
Journal article
Development of a pair potential for Ni–He
Creators
- 1. Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China)
- 2. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China)
- 3. Department of Applied Physics, Hunan University, Changsha 410082 (China)
Description
An interatomic potential for helium in bulk nickel was developed by fitting first-principles calculation results. This two-body Ni–He potential can give a good description of relative stability and migration of interstitial and substitutional He defects in bulk nickel. The zero-temperature binding energies of additional He to existing He-vacancy clusters and interstitial He clusters were studied and found in agreement with first-principles calculations.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jnucmat.2015.12.033Additional details
Identifiers
- DOI
- 10.1016/j.jnucmat.2015.12.033;
- PII
- S0022-3115(15)30402-5;
Publishing Information
- Journal Title
- Journal of Nuclear Materials
- Journal Volume
- 472
- Journal Page Range
- p. 105-109
- ISSN
- 0022-3115
- CODEN
- JNUMAM
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 48034862
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- BINDING ENERGY; DEFECTS; HELIUM; MIGRATION; NICKEL; STABILITY; TWO-BODY PROBLEM; VACANCIES
- Descriptors DEC
- CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTS; ENERGY; FLUIDS; GASES; MANY-BODY PROBLEM; METALS; NONMETALS; POINT DEFECTS; RARE GASES; TRANSITION ELEMENTS
Optional Information
- Copyright
- Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.