On the missing single collision peak in low energy heavy ion scattering

R. A. Wilhelm; M. J. Deuzeman; S. Rai; W. Husinsky; P. S. Szabo; H. Biber; R. Stadlmayr; C. Cupak; J. Hundsbichler; C. Lemell; W. Möller; A. Mutzke; G. Hobler; O. O. Versolato; F. Aumayr; R. Hoekstra

doi:10.1016/j.nimb.2023.165123

On the missing single collision peak in low energy heavy ion scattering

R. A. Wilhelm^*, M. J. Deuzeman, S. Rai, W. Husinsky, P. S. Szabo, H. Biber, R. Stadlmayr, C. Cupak, J. Hundsbichler, C. Lemell, W. Möller, A. Mutzke, G. Hobler, O. O. Versolato, F. Aumayr, R. Hoekstra

^*Corresponding author for this work

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

We present experimental and simulation data on the oblique angle scattering of heavy Sn ions at 14 keV energy from a Mo surface. The simulations are performed with the binary collision approximation codes TRIM, TRIDYN, TRI3DYN, SDTrimSP, and IMSIL. Additional simulations were performed in the molecular dynamics framework with LAMMPS. Our key finding is the absence of an expected peak in the experimental energy spectrum of backscattered Sn ions associated with the pure single collision regime. In sharp contrast to this, however, all simulation codes we applied do show a prominent single collision signature both in the energy spectrum and in the angular scatter pattern. We discuss the possible origin of this important discrepancy and show in the process, that widely used binary collision approximation codes may contain hidden parameters important to know and to understand.

Original language	English
Article number	165123
Pages (from-to)	1-12
Number of pages	12
Journal	Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Volume	544
Early online date	4 Oct 2023
DOIs	https://doi.org/10.1016/j.nimb.2023.165123
Publication status	Published - Nov 2023

Bibliographical note

Funding Information:
This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36, I 4914-N, and I 4101-N36). Financial support has also been provided by KKKÖ (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - ÖAW). We thank S. Höfinger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster.

Funding Information:
This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36 , I 4914-N , and I 4101-N36 ). Financial support has also been provided by KKKÖ (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - ÖAW) . We thank S. Höfinger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster.

Publisher Copyright:
© 2023 The Authors

Funding

This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36, I 4914-N, and I 4101-N36). Financial support has also been provided by KKKÖ (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - ÖAW). We thank S. Höfinger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster. This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36 , I 4914-N , and I 4101-N36 ). Financial support has also been provided by KKKÖ (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - ÖAW) . We thank S. Höfinger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster.

Funders	Funder number
KKKÖ
Österreichischen Akademie der Wissenschaften
Austrian Science Fund	I 4914-N, 1174-N36, I 4101-N36
Austrian Science Fund

Keywords

Binary collision approximation
Heavy ions
Ion scattering
Molecular dynamics

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10.1016/j.nimb.2023.165123

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Wilhelm, R. A., Deuzeman, M. J., Rai, S., Husinsky, W., Szabo, P. S., Biber, H., Stadlmayr, R., Cupak, C., Hundsbichler, J., Lemell, C., Möller, W., Mutzke, A., Hobler, G., Versolato, O. O., Aumayr, F., & Hoekstra, R. (2023). On the missing single collision peak in low energy heavy ion scattering. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 544, 1-12. Article 165123. https://doi.org/10.1016/j.nimb.2023.165123

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title = "On the missing single collision peak in low energy heavy ion scattering",

abstract = "We present experimental and simulation data on the oblique angle scattering of heavy Sn ions at 14 keV energy from a Mo surface. The simulations are performed with the binary collision approximation codes TRIM, TRIDYN, TRI3DYN, SDTrimSP, and IMSIL. Additional simulations were performed in the molecular dynamics framework with LAMMPS. Our key finding is the absence of an expected peak in the experimental energy spectrum of backscattered Sn ions associated with the pure single collision regime. In sharp contrast to this, however, all simulation codes we applied do show a prominent single collision signature both in the energy spectrum and in the angular scatter pattern. We discuss the possible origin of this important discrepancy and show in the process, that widely used binary collision approximation codes may contain hidden parameters important to know and to understand.",

keywords = "Binary collision approximation, Heavy ions, Ion scattering, Molecular dynamics",

author = "Wilhelm, {R. A.} and Deuzeman, {M. J.} and S. Rai and W. Husinsky and Szabo, {P. S.} and H. Biber and R. Stadlmayr and C. Cupak and J. Hundsbichler and C. Lemell and W. M{\"o}ller and A. Mutzke and G. Hobler and Versolato, {O. O.} and F. Aumayr and R. Hoekstra",

note = "Funding Information: This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36, I 4914-N, and I 4101-N36). Financial support has also been provided by KKK{\"O} (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - {\"O}AW). We thank S. H{\"o}finger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster. Funding Information: This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36 , I 4914-N , and I 4101-N36 ). Financial support has also been provided by KKK{\"O} (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - {\"O}AW) . We thank S. H{\"o}finger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster. Publisher Copyright: {\textcopyright} 2023 The Authors",

year = "2023",

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doi = "10.1016/j.nimb.2023.165123",

language = "English",

volume = "544",

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Wilhelm, RA, Deuzeman, MJ, Rai, S, Husinsky, W, Szabo, PS, Biber, H, Stadlmayr, R, Cupak, C, Hundsbichler, J, Lemell, C, Möller, W, Mutzke, A, Hobler, G, Versolato, OO, Aumayr, F & Hoekstra, R 2023, 'On the missing single collision peak in low energy heavy ion scattering', Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, vol. 544, 165123, pp. 1-12. https://doi.org/10.1016/j.nimb.2023.165123

TY - JOUR

T1 - On the missing single collision peak in low energy heavy ion scattering

AU - Wilhelm, R. A.

AU - Deuzeman, M. J.

AU - Rai, S.

AU - Husinsky, W.

AU - Szabo, P. S.

AU - Biber, H.

AU - Stadlmayr, R.

AU - Cupak, C.

AU - Hundsbichler, J.

AU - Lemell, C.

AU - Möller, W.

AU - Mutzke, A.

AU - Hobler, G.

AU - Versolato, O. O.

AU - Aumayr, F.

AU - Hoekstra, R.

N1 - Funding Information: This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36, I 4914-N, and I 4101-N36). Financial support has also been provided by KKKÖ (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - ÖAW). We thank S. Höfinger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster. Funding Information: This work was funded by the Austrian Science Fund FWF (Project No. Y 1174-N36 , I 4914-N , and I 4101-N36 ). Financial support has also been provided by KKKÖ (commission for the coordination of fusion research in Austria at the Austrian Academy of Sciences - ÖAW) . We thank S. Höfinger (VSC Research Center, TU Wien) for help with the LAMMPS simulations. Computational results pertaining to LAMMPS have been achieved using the Vienna Scientific Cluster. Publisher Copyright: © 2023 The Authors

PY - 2023/11

Y1 - 2023/11

N2 - We present experimental and simulation data on the oblique angle scattering of heavy Sn ions at 14 keV energy from a Mo surface. The simulations are performed with the binary collision approximation codes TRIM, TRIDYN, TRI3DYN, SDTrimSP, and IMSIL. Additional simulations were performed in the molecular dynamics framework with LAMMPS. Our key finding is the absence of an expected peak in the experimental energy spectrum of backscattered Sn ions associated with the pure single collision regime. In sharp contrast to this, however, all simulation codes we applied do show a prominent single collision signature both in the energy spectrum and in the angular scatter pattern. We discuss the possible origin of this important discrepancy and show in the process, that widely used binary collision approximation codes may contain hidden parameters important to know and to understand.

AB - We present experimental and simulation data on the oblique angle scattering of heavy Sn ions at 14 keV energy from a Mo surface. The simulations are performed with the binary collision approximation codes TRIM, TRIDYN, TRI3DYN, SDTrimSP, and IMSIL. Additional simulations were performed in the molecular dynamics framework with LAMMPS. Our key finding is the absence of an expected peak in the experimental energy spectrum of backscattered Sn ions associated with the pure single collision regime. In sharp contrast to this, however, all simulation codes we applied do show a prominent single collision signature both in the energy spectrum and in the angular scatter pattern. We discuss the possible origin of this important discrepancy and show in the process, that widely used binary collision approximation codes may contain hidden parameters important to know and to understand.

KW - Binary collision approximation

KW - Heavy ions

KW - Ion scattering

KW - Molecular dynamics

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U2 - 10.1016/j.nimb.2023.165123

DO - 10.1016/j.nimb.2023.165123

M3 - Article

AN - SCOPUS:85173258172

SN - 0168-583X

VL - 544

SP - 1

EP - 12

JO - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

M1 - 165123

ER -

On the missing single collision peak in low energy heavy ion scattering

Abstract

Bibliographical note

Funding

Keywords

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