Simulation of Rutherford backscattering spectrometry from arbitrary atom structures Article Swipe
Shangzhe Zhang
,
K. Nordlund
,
Flyura Djurabekova
,
Yanwen Zhang
,
Gihan Velişa
,
T. S. Wang
·
YOU?
·
· 2016
· Open Access
·
· DOI: https://doi.org/10.1103/physreve.94.043319
YOU?
·
· 2016
· Open Access
·
· DOI: https://doi.org/10.1103/physreve.94.043319
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 here 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. 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.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1103/physreve.94.043319
- OA Status
- green
- Cited By
- 43
- References
- 56
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2532591394
All OpenAlex metadata
Raw OpenAlex JSON
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https://openalex.org/W2532591394Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1103/physreve.94.043319Digital Object Identifier
- Title
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Simulation of Rutherford backscattering spectrometry from arbitrary atom structuresWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2016Year of publication
- Publication date
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2016-10-25Full publication date if available
- Authors
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Shangzhe Zhang, K. Nordlund, Flyura Djurabekova, Yanwen Zhang, Gihan Velişa, T. S. WangList of authors in order
- Landing page
-
https://doi.org/10.1103/physreve.94.043319Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
-
greenOpen access status per OpenAlex
- OA URL
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https://www.osti.gov/biblio/1329979Direct OA link when available
- Concepts
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Rutherford backscattering spectrometry, Atom (system on chip), Ion, Crystallographic defect, Atomic physics, Irradiation, Materials science, Lattice (music), Channelling, Molecular physics, Crystallography, Physics, Chemistry, Nuclear physics, Computer science, Acoustics, Quantum mechanics, Embedded systemTop concepts (fields/topics) attached by OpenAlex
- Cited by
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43Total citation count in OpenAlex
- Citations by year (recent)
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2025: 2, 2024: 4, 2023: 5, 2022: 5, 2021: 5Per-year citation counts (last 5 years)
- References (count)
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56Number of works referenced by this work
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-
10Other works algorithmically related by OpenAlex
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