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Computer simulation of displacement cascades in nanocrystalline ni.

作者信息

Samaras M, Derlet P M, Van Swygenhoven H, Victoria M

机构信息

Paul Scherrer Institute, CH-5232 Villigen, Switzerland.

出版信息

Phys Rev Lett. 2002 Mar 25;88(12):125505. doi: 10.1103/PhysRevLett.88.125505. Epub 2002 Mar 7.

DOI:10.1103/PhysRevLett.88.125505
PMID:11909475
Abstract

Large-scale molecular dynamics of cascade production of the primary damage state are performed in fcc nanocrystalline Ni of average grain diameters of 5 and 12 nm. Primary knock-on atom kinetic energies of 5-30 keV are simulated. During the thermal spike phase, significant atomic motion towards the surrounding grain boundary structure is observed, characterized by many replacement-collision sequences. Upon resolidification, the excess volume condenses to form vacancy dominated defects with a complex partial dislocation network forming at higher energies.

摘要

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