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Title: The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

Abstract

Previous experimental and theoretical studies suggest that the production of extended defect structures by collision cascades is inhibited in equiatomic NiFe, in comparison to pure Ni. It is also known that the production of such extend defect structures results from the formation of subcascades by high-energy recoils and their subsequent interaction. A detailed analysis of the ballistics of 40 keV cascades in Ni and NiFe is performed to identify the formation of such subcascades and to assess their spatial distribution. It is found that subcascades in Ni and NiFe are created with nearly identical energies and distributed similarly in space. This suggests that the differences in production of extended defect structures is not related to processes taking place in the ballistic phase of the collision cascade. Lastly, these results can be generalized to other, more chemically complex, concentrated alloys where the elements have similar atomic numbers, such as many high-entropy alloys.

Authors:
ORCiD logo [1];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1326504
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 116; Journal Issue: C; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; radiation damage; nickel; nickel-iron; molecular dynamics; high-entropy alloys

Citation Formats

Béland, Laurent Karim, Osetsky, Yuri N., and Stoller, Roger E.. The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades. United States: N. p., 2016. Web. doi:10.1016/j.actamat.2016.06.031.
Béland, Laurent Karim, Osetsky, Yuri N., & Stoller, Roger E.. The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades. United States. doi:10.1016/j.actamat.2016.06.031.
Béland, Laurent Karim, Osetsky, Yuri N., and Stoller, Roger E.. 2016. "The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades". United States. doi:10.1016/j.actamat.2016.06.031. https://www.osti.gov/servlets/purl/1326504.
@article{osti_1326504,
title = {The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades},
author = {Béland, Laurent Karim and Osetsky, Yuri N. and Stoller, Roger E.},
abstractNote = {Previous experimental and theoretical studies suggest that the production of extended defect structures by collision cascades is inhibited in equiatomic NiFe, in comparison to pure Ni. It is also known that the production of such extend defect structures results from the formation of subcascades by high-energy recoils and their subsequent interaction. A detailed analysis of the ballistics of 40 keV cascades in Ni and NiFe is performed to identify the formation of such subcascades and to assess their spatial distribution. It is found that subcascades in Ni and NiFe are created with nearly identical energies and distributed similarly in space. This suggests that the differences in production of extended defect structures is not related to processes taking place in the ballistic phase of the collision cascade. Lastly, these results can be generalized to other, more chemically complex, concentrated alloys where the elements have similar atomic numbers, such as many high-entropy alloys.},
doi = {10.1016/j.actamat.2016.06.031},
journal = {Acta Materialia},
number = C,
volume = 116,
place = {United States},
year = 2016,
month = 6
}

Journal Article:
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  • The interactions of high-energy displacement cascades with helium bubbles in α-Fe are investigated using molecular dynamics simulations. Initial bubbles with the volumes of 212 and 636 Å3 are considered, and the helium-to-vacancy (He/V) ratio in the bubbles varies from 0.5 to 3. Primary knock-on atom (PKA) energy, E p, is up to 40 keV. The results show that the change of nm-sized He bubbles due to displacement cascade does not depend much on the bubble size, but rather on the He/V ratio and the recoil energy. For the initial He/V ratio less than 1, the size of the bubbles decreasesmore » with increasing PKA energy, but the He/V ratio increases. However, for the initial He/V ratio of 3, the size of the bubbles increases, and the He/V ratio decreases with PKA energy. For the initial He/V ratio of 1, the ratio of the small bubble decreases slightly, but the ratio of the large bubble remains unchanged for lower PKA energy, and increases slightly for higher PKA energy. The reasons for these observed phenomena have been explained.« less
  • A systematic study of damage in high-energy cascades in Zr with primary knock-on-atom (PKA) energy up to 25 keV has been carried out by molecular dynamics (MD) over a temperature range from 100-600 K. The high number of simulations for each condition of temperature and energy has revealed the wide variety of defect clusters that can be created in cascades. Mobile or sessile, two-dimensional (2D) or three-dimensional (3D) clusters of both vacancy and interstitial type can be formed. The population statistics of clusters of each type and the fraction of vacancies and self-interstitial atoms (SIA) in clusters, were obtained, andmore » their dependence on the temperature and PKA energy were investigated. Both vacancy and SIA clusters can be mobile. However, depending on their type, self-interstitial clusters exhibit one-dimensional, planar, or three-dimensional motions, whereas vacancy clusters of only one type can glide in one dimension only. We have also performed separate MD simulations of some SIA and vacancy clusters to study their thermal stability and possible transformations.« less
  • Atomic-scale computer simulation has been used to investigate the primary damage created by displacement cascades in copper over a wide range of temperature (100 K T 900 K) and primary knock-on atom energy (5 keV EPKA 25 keV). A technique was introduced to improve computational efficiency and at least 20 cascades for each (EPKA,T) pair were simulated in order to ensure statistical reliability of the results. The total of almost 450 simulated cascades is the largest yet reported for this metal. The mean number of surviving point defects per cascade is only 15-20% of the NRT model value. It decreasesmore » with increasing T at fixed EPKA and is proportional to (EPKA)1.1 at fixed T. A high proportion (60-80%) of self-interstitial atoms (SIAs) form clusters during the cascade process. The proportion is smaller for vacancies and sensitive to T, falling from 30-60% for T 600 K to less than 20% when T = 900 K. The structure of clusters has been examined in detail. Vacancies cluster predominantly in stackingfault- tetrahedron-type configurations. SIAs tend to form either glissile dislocation loops with Burgers vector b = 1/2<110> or sessile faulted Frank loops with b = 1/3<111>. Despite the fact that cascades at a given EPKA and T exhibit a wide range of defect numbers and clustered fractions, there appears to be a correlation in the formation of vacancy clusters and SIA clusters in the same cascade. The size and spatial aspects of this are analysed in detail in part II [26]. The stability of clusters when another cascade overlaps them is also investigated in part II.« less