Computer Simulation of Cascade Damage in α-Iron with Carbon in Solution

Journal Article · Tue Jan 01 04:00:00 EST 2008 · Journal of Nuclear Materials

OSTI ID:958784

Andrew, Calder F ^[1]; Bacon, David J ^[1]; Barashev, Aleksandr ^[1]; Osetskiy, Yury N ^[2]

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1. University of Liverpool
2. ORNL

Molecular dynamics simulation method is used to investigate defect production by displacement cascades in iron with carbon (C) in solution. This is the first study of cascade damage in a metal containing interstitial solute. Iron is of particular interest because of the use of ferritic steels in plant for nuclear power generation. Cascades are simulated with energy in the range 5 to 20keV in iron at either 100 or 600K containing carbon with concentration in the range 0 to 1at%. C in solution has no discernible effect on the number of defects produced in cascades under any of the conditions simulated, nor on the clustered fraction of either self-interstitial atoms (SIAs) or vacancies. However, significant fractions of single SIAs and vacancies are trapped by C in the cascade process, irrespective of cascade energy. The fraction is independent of temperature for vacancies, but increases strongly with temperature for SIAs: this is a consequence of the higher mobility of the SIA.

• Research Organization: Oak Ridge National Laboratory (ORNL)
• Sponsoring Organization: SC USDOE - Office of Science (SC)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 958784
• Journal Information: Journal of Nuclear Materials, Journal Name: Journal of Nuclear Materials Journal Issue: 2-3 Vol. 382; ISSN 0022-3115; ISSN JNUMAM
• Country of Publication: United States
• Language: English

Related Subjects

29 ENERGY PLANNING, POLICY, AND ECONOMY
36 MATERIALS SCIENCE
ATOMS
CARBON
COMPUTERIZED SIMULATION
DAMAGE
DEFECTS
FERRITIC STEELS
INTERSTITIALS
IRON
NUCLEAR POWER
PRODUCTION
SIMULATION
VACANCIES
carbon effects
displacement cascades
radiation damage
steels