skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Features of primary damage by high energy displacement cascades in concentrated Ni-based alloys

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/1.4942533· OSTI ID:1239766
ORCiD logo [1];  [2];  [1];  [1];  [3];  [2];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. of Michigan, Ann Arbor, MI (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Alloying of Ni with Fe or Co has been shown to reduce primary damage production under ion irradiation. Similar results have been obtained from classical molecular dynamics simulations of 1, 10, 20, and 40 keV collision cascades in Ni, NiFe, and NiCo. In all cases, a mix of imperfect stacking fault tetrahedra, faulted loops with a 1/3⟨111⟩ Burgers vector, and glissile interstitial loops with a 1/2⟨110⟩ Burgers vector were formed, along with small sessile point defect complexes and clusters. Primary damage reduction occurs by three mechanisms. First, Ni-Co, Ni-Fe, Co-Co, and Fe-Fe short-distance repulsive interactions are stiffer than Ni-Ni interactions, which lead to a decrease in damage formation during the transition from the supersonic ballistic regime to the sonic regime. This largely controls final defect production. Second, alloying decreases thermal conductivity, leading to a longer thermal spike lifetime. The associated annealing reduces final damage production. These two mechanisms are especially important at cascades energies less than 40 keV. Third, at the higher energies, the production of large defect clusters by subcascades is inhibited in the alloys. A number of challenges and limitations pertaining to predictive atomistic modeling of alloys under high-energy particle irradiation are discussed.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC05-00OR22725; EDDE EFRC
OSTI ID:
1239766
Alternate ID(s):
OSTI ID: 1421163
Journal Information:
Journal of Applied Physics, Vol. 119, Issue 8; Related Information: EDDE partners with Oak Ridge National Laboratory (lead); Lawrence Livermore National Laboratory; University of Michigan; University of Tennessee; University of Wisconsin; University of Wyoming; Virginia Tech; ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 50 works
Citation information provided by
Web of Science

References (44)

Classical Many-Body Potential for Concentrated Alloys and the Inversion of Order in Iron-Chromium Alloys journal August 2005
Atomistic modeling of the γ and γ′-phases of the Ni–Al system journal April 2004
The Fe-Ni (iron-nickel) system journal June 1991
Magnetic Moments and the Degree of Order in Cobalt-Nickel Alloys journal October 1963
Defect production in collision cascades in elemental semiconductors and fcc metals journal April 1998
Effect of the interatomic potential on the features of displacement cascades in α-Fe: A molecular dynamics study journal June 2006
Fragmentation of displacement cascades into subcascades: A molecular dynamics study journal March 2015
Cubic and hexagonal single-crystal elastic constants of a cobalt-nickel alloy journal December 1975
Coupled phase diagrams and thermochemical data for transition metal binary systems — II journal January 1978
Embedded-atom potential for hcp and fcc cobalt journal October 2012
Fe–Ni many-body potential for metallurgical applications journal January 2009
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Estimative of the Stacking Fault Energy for a FeNi(50/50) Alloy and a 316L Stainless Steel journal August 2008
A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity journal April 1997
Interstitial cluster motion in displacement cascades journal December 2000
Study of cascades damage in Ni by MD with different interatomic potentials journal August 2007
The effect of temperature on primary defect formation in Ni–Fe alloy journal February 2014
The effect of prolonged irradiation on defect production and ordering in Fe–Cr and Fe–Ni alloys journal August 2011
Stacking fault energies of fcc fe-Ni alloys by x-ray diffraction line profile analysis journal March 1976
Replenish and Relax: Explaining Logarithmic Annealing in Ion-Implanted c -Si journal September 2013
Understanding long-time vacancy aggregation in iron: A kinetic activation-relaxation technique study journal October 2014
Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy journal October 2013
The calculation of stacking fault energies in FeNiCr alloys journal January 1978
Thermal conductivity of ten selected binary alloy systems journal July 1978
Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys journal October 2015
Slow relaxation of cascade-induced defects in Fe journal February 2015
Considerations for choosing and using force fields and interatomic potentials in materials science and engineering journal December 2013
Atomistic simulation of primary damages in Fe, Ni and Zr journal October 2013
On the origin of large interstitial clusters in displacement cascades journal March 2010
Relation between the interaction potential, replacement collision sequences, and collision cascade expansion in iron journal October 2002
Lattice thermal conductivity of multi-component alloys journal November 2015
Coherent displacement of atoms during ion irradiation journal March 1999
A proposed method of calculating displacement dose rates journal August 1975
Including the effects of electronic stopping and electron–ion interactions in radiation damage simulations journal December 2006
First-principle calculation of stacking fault energies in Ni and Ni-Co alloy journal May 2011
Local atomic order and individual pair displacements of Fe 46.5 Ni 53.5 and Fe 22.5 Ni 77.5 from diffuse x-ray scattering studies journal August 1996
Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades journal June 2000
Molecular dynamics simulation of displacement cascades in α-Fe: A critical review journal June 2006
Generation of shock waves in iron under irradiation
  • Korchuganov, A. V.; Zolnikov, K. P.; Kryzhevich, D. S.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 352 https://doi.org/10.1016/j.nimb.2014.11.095
journal June 2015
Designing Radiation Resistance in Materials for Fusion Energy journal July 2014
Molecular dynamics simulation of displacement cascades in Cu and Ni: Thermal spike behavior journal June 1989
Primary Radiation Damage Formation book January 2012
The Co−Ni (Cobalt-Nickel) system journal December 1983
Comparative study of cascade damage in Fe simulated with recent potentials journal June 2007

Cited By (3)

Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys journal July 2017
Effect of atomic order/disorder on Cr segregation in Ni-Fe alloys journal September 2018
Irradiation responses and defect behavior of single-phase concentrated solid solution alloys journal September 2018

Similar Records