Atomic scale simulation of deformation in magnesium single crystals

Phelan, D., Stanford, N., Thijsse, B. and Sietsma, Jilt 2010, Atomic scale simulation of deformation in magnesium single crystals, Materials science forum, vol. 638-642, THERMEC 2009, pp. 1585-1590, doi: 10.4028/

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Title Atomic scale simulation of deformation in magnesium single crystals
Author(s) Phelan, D.
Stanford, N.
Thijsse, B.
Sietsma, Jilt
Journal name Materials science forum
Volume number 638-642
Season THERMEC 2009
Start page 1585
End page 1590
Total pages 6
Publisher Trans Tech Publications
Place of publication Stafa-Zurich, Switzerland
Publication date 2010
ISSN 0255-5476
Keyword(s) molecular dynamics
Summary The deformation behaviour of magnesium single crystals under plane strain conditions has been examined using molecular dynamics modelling. The simulations were based on an existing atomic potential for magnesium taken from the literature. A strain of 10% was applied at rates of 3x109s-1 and 3x107s-1. The simulations predicted the formation of mechanical twins that accommodated extension in the c-axis direction of the hexagonal unit cell. However, the predicted twin is not of the same kind found in magnesium, but is that commonly observed in titanium. It is believed that further analysis of the physical properties predicted by this interatomic potential will shed more light on the atomic processes controlling twinning in Magnesium alloys. It also highlights the need for improvements to the interatomic potential such that more accurate deformation behaviour can be attained.
Language eng
DOI 10.4028/
Field of Research 091207 Metals and Alloy Materials
Socio Economic Objective 861199 Basic Metal Products (incl. Smelting, Rolling, Drawing and Extruding) not elsewhere classified
HERDC Research category C1 Refereed article in a scholarly journal
HERDC collection year 2010
Copyright notice ©(2010), Trans Tech Publications, Switzerland
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