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The role of metallic bonding in the crystallographic pitting of magnesium

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Abstract

The role of metallic bonding in the crystallographic pitting of magnesium (Mg) has been investigated using atomistic simulations. To assess the degree of metallic bonding in Mg (0001) and (101̄0) surfaces the modified embedded atom method (MEAM) has been used. The inter atomic potentials developed with MEAM were then used by a Monte Carlo MC code, standard Metropolis algorithm, to calculate atom removal probabilities. Simulations for the Mg (101̄0) surface found that atom removal formed geometric surface structures, the orientation of which where always at a 58° or 116° angle with respect to the [121̄0] direction or 90° with respect to [0001]. These results are identical to experimental results from Mg (101̄0) single crystals. Simulations of Mg (0001) surfaces found no preferred orientations similar to experimental results. copyright The Electrochemical Society.

Original languageEnglish
Title of host publicationCorrosion and Electrochemistry of Advanced Materials, In Honor of Koji Hashimoto
Pages381-389
Number of pages9
Edition4
DOIs
StatePublished - Dec 1 2005
Event208th Meeting of the Electrochemical Society -
Duration: Dec 1 2005 → …

Publication series

NameECS Transactions
Number4
Volume1
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Conference

Conference208th Meeting of the Electrochemical Society
Period12/1/05 → …

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