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Title: Predicting damage production in monoatomic and multi-elemental targets using stopping and range of ions in matter code: Challenges and recommendations

Abstract

The computer code, Stopping and Range of Ions in Matter (SRIM), is widely used to describe energetic processes of ion-solid interactions; its predictive power relies on the accuracy of energy loss/transfer and collision processes being considered. While the SRIM code is commonly applied in radiation effects research to predict damage production and in the semiconductor industry to estimate ion range and dopant concentration profiles, two challenges exist that affect its use: (1) inconsistency in estimations of atomic displacements between full-cascade and quick (modified Kinchin–Pease) options and (2) overestimation of electronic stopping power for slow heavy ions in light targets (e.g., Be and Si) or in compound targets containing light elements (e.g., C, N and O in carbides, nitrides and oxides). Based on a literature review and our experimental investigations, we discuss the underlying reasons for the discrepancies, clarify the physical limitations of the SRIM predictions, and, more importantly, provide recommendations to address the two challenges.

Authors:
;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1532570
Alternate Identifier(s):
OSTI ID: 1564111
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Published Article
Journal Name:
Current Opinion in Solid State and Materials Science
Additional Journal Information:
Journal Name: Current Opinion in Solid State and Materials Science Journal Volume: 23 Journal Issue: 4; Journal ID: ISSN 1359-0286
Publisher:
Elsevier
Country of Publication:
United Kingdom
Language:
English
Subject:
36 MATERIALS SCIENCE; Ion-solid interaction; Stopping power; Damage profile; Displacements; Full-cascade simulations

Citation Formats

Weber, William J., and Zhang, Yanwen. Predicting damage production in monoatomic and multi-elemental targets using stopping and range of ions in matter code: Challenges and recommendations. United Kingdom: N. p., 2019. Web. doi:10.1016/j.cossms.2019.06.001.
Weber, William J., & Zhang, Yanwen. Predicting damage production in monoatomic and multi-elemental targets using stopping and range of ions in matter code: Challenges and recommendations. United Kingdom. doi:https://doi.org/10.1016/j.cossms.2019.06.001
Weber, William J., and Zhang, Yanwen. Thu . "Predicting damage production in monoatomic and multi-elemental targets using stopping and range of ions in matter code: Challenges and recommendations". United Kingdom. doi:https://doi.org/10.1016/j.cossms.2019.06.001.
@article{osti_1532570,
title = {Predicting damage production in monoatomic and multi-elemental targets using stopping and range of ions in matter code: Challenges and recommendations},
author = {Weber, William J. and Zhang, Yanwen},
abstractNote = {The computer code, Stopping and Range of Ions in Matter (SRIM), is widely used to describe energetic processes of ion-solid interactions; its predictive power relies on the accuracy of energy loss/transfer and collision processes being considered. While the SRIM code is commonly applied in radiation effects research to predict damage production and in the semiconductor industry to estimate ion range and dopant concentration profiles, two challenges exist that affect its use: (1) inconsistency in estimations of atomic displacements between full-cascade and quick (modified Kinchin–Pease) options and (2) overestimation of electronic stopping power for slow heavy ions in light targets (e.g., Be and Si) or in compound targets containing light elements (e.g., C, N and O in carbides, nitrides and oxides). Based on a literature review and our experimental investigations, we discuss the underlying reasons for the discrepancies, clarify the physical limitations of the SRIM predictions, and, more importantly, provide recommendations to address the two challenges.},
doi = {10.1016/j.cossms.2019.06.001},
journal = {Current Opinion in Solid State and Materials Science},
number = 4,
volume = 23,
place = {United Kingdom},
year = {2019},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: https://doi.org/10.1016/j.cossms.2019.06.001

Citation Metrics:
Cited by: 24 works
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Figures / Tables:

Fig. 1 Fig. 1: TRIM-predicted damage energy profiles (left axis) from both the full-cascade and quick modes, along with corresponding predicted displacement profiles based on the NRT model: (a) 10 MeV Fe in Fe-10%Cr, (b) 5 MeV Ni in Ni, (c) 50 keV Ni ions in Ni, and (d) 3 MeV Aumore » ions in Ni. The integrated number of total NRT displacements for each ion-target combination for full-cascade and quick TRIM simulations are included in the legend.« less

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.