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Title: Molecular dynamics simulation of bicrystalline metal surface treatment

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.
Authors:
 [1] ;  [2]
  1. National Research Tomsk State University, Tomsk, 634050 (Russian Federation)
  2. (Russian Federation)
Publication Date:
OSTI Identifier:
22492573
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1683; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMIC DISPLACEMENTS; COMPUTERIZED SIMULATION; COPPER; DEFECTS; GRAIN BOUNDARIES; LAYERS; LOADING; MOLECULAR DYNAMICS METHOD; SURFACE TREATMENTS