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Title: Investigation of defect nucleation in titanium under mechanical loading

The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.
Authors:
;  [1] ;  [2] ;  [2] ;  [3] ;  [3]
  1. Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055, Russia and National Research Tomsk State University, Tomsk, 634050 (Russian Federation)
  2. Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation)
  3. (Russian Federation)
Publication Date:
OSTI Identifier:
22390453
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1623; Journal Issue: 1; Conference: International Conference on Physical Mesomechanics of Multilevel Systems 2014, Tomsk (Russian Federation), 3-5 Sep 2014; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CRYSTALS; DEFECTS; GRAIN BOUNDARIES; LOADING; MANY-BODY PROBLEM; MOLECULAR DYNAMICS METHOD; NUCLEATION; PHASE TRANSFORMATIONS; PLASTICITY; POTENTIAL ENERGY; POTENTIALS; STRAINS; SURFACES; TITANIUM