Simulation of Rutherford backscattering spectrometry from arbitrary atom structures [electronic resource].
- Published
- Washington, D.C. : United States. Dept. of Energy. Office of Basic Energy Sciences, 2016.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy - Physical Description
- Article numbers 043,319 : digital, PDF file
- Additional Creators
- Oak Ridge National Laboratory, United States. Department of Energy. Office of Basic Energy Sciences, China Scholarship Council (CSC), and United States. Department of Energy. Office of Scientific and Technical Information
Access Online
- Restrictions on Access
- Free-to-read Unrestricted online access
- Summary
- Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop in this paper a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms, Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Finally, comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.
- Report Numbers
- E 1.99:1340467
- Subject(s)
- Note
- Published through SciTech Connect.
10/25/2016.
"KC0207010"
"ERKCM99"
Physical Review E 94 4 ISSN 2470-0045 AM
Zhang, S. [Lanzhou Univ. (China). School of Nuclear Science and Technology; Univ. of Helsinki (Finland). Dept. of Physics]; Nordlund, Kai [Univ. of Helsinki (Finland). Dept. of Physics. Helsinki Inst. of Physics; National Research Nuclear Univ. (MEPhI), Moscow (Russian Federation)]; Djurabekova, Flyura [Univ. of Helsinki (Finland). Dept. of Physics. Helsinki Inst. of Physics; National Research Nuclear Univ. (MEPhI), Moscow (Russian Federation)]; Zhang, Yanwen [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division]; Velisa, Gihan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division]; Wang, T. S. [Lanzhou Univ. (China). School of Nuclear Science and Technology].
European Commission (EC) (Belgium). Euratom Research and Training Programme - Funding Information
- AC05-00OR22725
633053
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