Molecular dynamics simulation of displacement cascades in Cu and Ni: Thermal spike behavior
Molecular dynamics simulations of energetic displacement cascades in Cu and Ni were performed with primary-knock-on-atom (PKA) energies up to 5 keV. The interatomic forces were represented by the Gibson II (Cu) and the Johnson-Erginsoy (Ni) potentials. Our results indicate that the primary state of damage produced by displacement cascades is controlled basically by two phenomena: replacement collision sequences during the ballistic phase, and melting and resolidification during the thermal spike. The thermal-spike phase is of longer duration and has a more marked effect in Cu than in Ni. Results for atomic mixing, defect production, and defect clustering are presented and compared with experiment. Simulations of ''heat spikes'' in these metals suggest a model for ''cascade collapse'' based on the regrowth kinetics of the molten cascade core.
- Research Organization:
- Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (US); Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
- DOE Contract Number:
- AC02-76ER01198; W-31-109-ENG-38
- OSTI ID:
- 5948358
- Journal Information:
- J. Mat. Res.; (United States), Vol. 4:3
- Country of Publication:
- United States
- Language:
- English
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COPPER
PHYSICAL RADIATION EFFECTS
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CRYSTAL DEFECTS
DYNAMICS
INTERATOMIC FORCES
KEV RANGE 01-10
MELTING
MOLECULES
SIMULATION
SLABS
SOLIDIFICATION
THICKNESS
CRYSTAL STRUCTURE
DIMENSIONS
ELEMENTS
ENERGY RANGE
KEV RANGE
MECHANICS
METALS
PHASE TRANSFORMATIONS
RADIATION EFFECTS
TRANSITION ELEMENTS
360106* - Metals & Alloys- Radiation Effects