MD simulation of plastic deformation nucleation in stressed crystallites under irradiation

• Published in: Physics of atomic nuclei Vol. 79; no. 7; pp. 1193 - 1198
• Main Authors: Korchuganov, A. V., Zolnikov, K. P., Kryzhevich, D. S., Chernov, V. M., Psakhie, S. G.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01-12-2016; Springer; Springer Nature B.V
• Subjects: Alloys; Analysis; ATOMIC DISPLACEMENTS; COPPER; CRYSTAL STRUCTURE; DISLOCATIONS; DYNAMIC LOADS; IRON; KEV RANGE; KNOCK-ON; MATERIALS SCIENCE; Molecular dynamics; MOLECULAR DYNAMICS METHOD; NUCLEATION; Particle and Nuclear Physics; PHYSICAL RADIATION EFFECTS; Physics; Physics and Astronomy; Plastic deformation; PLASTICITY; Radiation (Physics); STRESSES; TWINNING; VANADIUM; mechanical stresses; atomic displacement cascades; plastic deformation; iron; vanadium; copper; molecular dynamics; irradiation
• ISSN: 1063-7788; 1562-692X
• DOI: 10.1134/S1063778816070073

The investigation of plastic deformation nucleation in metals and alloys under irradiation and mechanical loading is one of the topical issues of materials science. Specific features of nucleation and evolution of the defect system in stressed and irradiated iron, vanadium, and copper crystallites were studied by molecular dynamics simulation. Mechanical loading was performed in such a way that the modeled crystallite volume remained unchanged. The energy of the primary knock-on atom initiating a cascade of atomic displacements in a stressed crystallite was varied from 0.05 to 50 keV. It was found that atomic displacement cascades might cause global structural transformations in a region far larger than the radiation-damaged area. These changes are similar to the ones occurring in the process of mechanical loading of samples. They are implemented by twinning (in iron and vanadium) or through the formation of partial dislocation loops (in copper).