The Atomic Level Simulation of the Vacancy Pore Evolution in Irradiated Materials

Author(s) A.I. Kul’ment’ev
Affiliations Institute of Applied Physics of the National Academy of Sciences of Ukraine, 58, Petropavlivska Str., 40000 Sumy, Ukraine
Issue Volume 2, Year 2010, Number 4
Dates Received 15 December 2010, in final form 13 January 2011
Citation A.I. Kul’ment’ev, J. Nano- Electron. Phys. 2 No4 (2010) English version is unavailable
PACS Number(s) 61.72.J – , 07.05.Tp
Key words Computer simulation, Reactor material science, Space-time levels, Vacancy pores, Common neighbor analysis, Nanophysics.
The method allowing in a sequential multi-level simulation of radiation damage evolu-tion to determine at the atomic level the subset of atoms forming the boundary of vacancy pore is proposed. Computer modelling of the collapse process of the initially spherical pore is performed. Dependences of the shape parameters of the pore on the compression coefficient are obtained and compared with those derived analytically. It is shown that this method may be used for determination of the pore collapse phase and for prediction of the direction of the pore most probable evolution.


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