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Examination of the Effect of Vacancy Detachment Rates on Kinetic Monte Carlo Simulations of bcc Metals

Published online by Cambridge University Press:  14 July 2016

Richard T Hoffman III ,
Alexander P Moore  and
Chaitanya S Deo
Richard T Hoffman III*
Affiliation:
Nuclear and Radiological Engineering Program, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332
Alexander P Moore
Affiliation:
Nuclear and Radiological Engineering Program, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332
Chaitanya S Deo
Affiliation:
Nuclear and Radiological Engineering Program, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332
*
*(Email: [email protected])
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Abstract

A Kinetic Monte Carlo simulation, using a modified version of the SPPARKS code, of simple defects and complex vacancy clusters was run on a bcc lattice. In this simulation the complexity of void formation was varied by introducing a detachment rate for individual vacancies leaving the void and either treating this value as constant for all size voids or having this value be dependent on the size of the void. Molecular Dynamics simulations were used to determine the binding energies of vacancies for voids of varying size. The simulation was then run over long time periods to determine the number of defects in the simulation under irradiation conditions. It was found that the additional complexity of size dependent void detachment rates had little effect on the defect concentrations and thus a constant barrier should be sufficient for simulations of voids in bcc metals.

Keywords

defectsradiation effectssimulation
Type
Articles
Information
MRS Advances , Volume 1 , Issue 35: Materials Design , 2016 , pp. 2489 - 2494
Copyright
Copyright © Materials Research Society 2016 

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References

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