Molecular dynamics simulation of bicrystalline metal surface treatment

Journal Article · Tue Oct 27 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4932853· OSTI ID:22492573

Nikonov, A. Yu., E-mail: [e-mail] ^[1]; Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 ^[2]

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1. National Research Tomsk State University, Tomsk, 634050 (Russian Federation)
2. (Russian Federation)

The paper reports the molecular dynamics simulation results on the behavior of a copper crystallite in local frictional contact. The crystallite has a perfect defect-free structure and contains a high-angle grain boundary of type Σ5. The influence of the initial structure on the specimen behavior under loading was analyzed. It is shown that nanoblocks are formed in the subsurface layer. The atomic mechanism of nanofragmentation was studied. A detailed analysis of atomic displacements in the blocks showed that the displacements are rotational. Calculations revealed that the misorientation angle of formed nanoblocks along different directions does not exceed 2 degrees.

• OSTI ID: 22492573
• Journal Information: AIP Conference Proceedings, Vol. 1683, Issue 1; Conference: International conference on advanced materials with hierarchical structure for new technologies and reliable structures 2015, Tomsk (Russian Federation), 21-25 Sep 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ATOMIC DISPLACEMENTS
COMPUTERIZED SIMULATION
COPPER
DEFECTS
GRAIN BOUNDARIES
LAYERS
LOADING
MOLECULAR DYNAMICS METHOD
SURFACE TREATMENTS