A molecular dynamics simulation of the effects of excess free volume on the diffusion in metallic glasses

Vittorio Rosato, Fabrizio Cleri

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By molecular dynamics simulations, the diffuse behaviour of the atomic species in a metallic glass (NiZr2) as a function of the excess free volume, introduced in the form of localized defects, has been studied. Diffusion of both atomic species increases as the excess free volume increases. Two different behaviours have been detected: a transitory high-mobility regime, which follows the introduction of the excess free volume; and a low mobility regime, which starts acting as the introduced excess free volume spreads over the entire system. In the high mobility regime, a description of the behaviour of atomic-level properties such as local pressure, shear stress and the free volume density around diffusing atoms is attempted. © 1992 Elsevier Science Publishers B.V. All rights reserved.
Original languageEnglish
Pages (from-to)187 - 195
Number of pages9
JournalJournal of Non-Crystalline Solids
Issue numberC
Publication statusPublished - 1992
Externally publishedYes


All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

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