Split interstitials in computer models of single-crystal and amorphous copper

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• 作者：R. A. Konchakov ; V. A. Khonik ; N. P. Kobelev
• 刊名：Physics of the Solid State
• 出版年：2015
• 出版时间：May 2015
• 年：2015
• 卷：57
• 期：5
• 页码：856-865
• 全文大小：962 KB
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• 作者单位：R. A. Konchakov (1)
  V. A. Khonik (1)
  N. P. Kobelev (2)
  
  1. Voronezh State Pedagogical University, ul. Lenina 86, Voronezh, 394043, Russia
  2. Institute of Solid State Physics, Russian Academy of Sciences, ul. Akademika Ossipyana 2, Chernogolovka, Moscow oblast, 142432, Russia
  
• 刊物类别：Physics and Astronomy
• 刊物主题：Physics
  Solid State Physics and Spectroscopy
  Russian Library of Science
  
• 出版者：MAIK Nauka/Interperiodica distributed exclusively by Springer Science+Business Media LLC.
• ISSN：1090-6460

文摘

The effect of interstitial atoms in a dumbbell configuration on elastic moduli of single crystal copper has been investigated using molecular dynamics simulation. It has been shown that shear components of the dipole tensor and λ-tensor increase when the concentration of split interstitials exceeds 0.6-.7%. This is associated with their interaction responsible for a significant change in the distribution of orientations of split interstitials and, hence, for a change in the type of the induced local symmetry breakings of the face-centered cubic structure. It has been found that, in the model of amorphous copper, there are “defects-(elastic dipoles) with properties similar to those of split interstitials in the single crystal. The deviatoric component of their λ-tensor is more than an order of magnitude greater than the dilatation component and is responsible for the decreased value of the shear modulus and thermal effects in noncrystalline metallic materials.