NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2011, 2 (2), P. 98–101
SIMULATION OF STRUCTURAL TRANSFORMATIONS IN COPPER NANOPARTICLES UNDER COLLISION
A.Yu. Smolin(1), N.V. Roman(2), K. P. Zolnikov(1), S.G. Psakhie(1), V.K. Kedrinskii(3)
(1)Institute of Strength Physics and Materials Science of the Siberian Branch of the RAS,
(2)Tomsk State University, Tomsk, Russia
(3)Lavrentyev Institute of Hydrodynamics of the Siberian Branch of the RAS,
The copper nano-sized particles collision under various loading condition was studied in the paper. The special attention was paid to changes in structure of the particles. The numerical investigations were performed by molecular dynamics method. The inter-atomic interaction was described within the embedded atom method. The initial particles were of ideal crystal structure, spherical shape, radius of 6–15 nm. The velocity of collision was varied from 200 up to 1000m/s, rotation of the particles with the speed up to 1.5⋅1013 s−1 was applied in some calculations. It was shown that specific changes in initial ideal crystal structure of the particles took place under interaction, and the shape of the final particle was not symmetric one. The changes in potential energy of the particles, structural transformation from one type of the crystal lattice to another one as well as quasi-amorphous regions formation were studied in detail.
Keywords: structural transformation, nanoparticles, collision, molecular dynamics.
PACS 46.25.Cc, 68.35.Rh