Atomistic modeling of the Al-H and Ni-H systems
SCIE
SCOPUS
- Title
- Atomistic modeling of the Al-H and Ni-H systems
- Authors
- Ko, WS; Shim, JH; Lee, BJ
- Date Issued
- 2011-06
- Publisher
- CAMBRIDGE UNIV PRESS
- Abstract
- Second nearest-neighbor modified embedded-atom method (MEAM) interatomic potentials for the Al-H and Ni-H binary systems have been developed on the basis of previously developed MEAM potentials of pure Al, Ni, and H. The potentials can describe various fundamental physical properties of the relevant binary alloys (structural, thermodynamic, defect, and dynamic properties of metastable hydrides or hydrogen in face-centered cubic solid solutions) in good agreement with experiments or first-principles calculations. The applicability of the present potentials to atomic level investigations of dynamic behavior of hydrogen atoms in metal membranes is also discussed.
- Keywords
- EMBEDDED-ATOM-METHOD; HYDROGEN PERMEATION CHARACTERISTICS; LOSLICHKEIT VON WASSERSTOFF; LIQUID-METAL EMBRITTLEMENT; HIGH-PURITY ALUMINUM; SINGLE-CRYSTAL NI; HIGH-PRESSURE; INTERATOMIC POTENTIALS; ROOM-TEMPERATURE; FATIGUE BEHAVIOR
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/17202
- DOI
- 10.1557/JMR.2011.95
- ISSN
- 0884-2914
- Article Type
- Article
- Citation
- JOURNAL OF MATERIALS RESEARCH, vol. 26, no. 12, page. 1552 - 1560, 2011-06
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- There are no files associated with this item.
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