Physics – Condensed Matter – Materials Science
Scientific paper
2010-03-10
Physical Review B, Vol 81, 184108 (2010)
Physics
Condensed Matter
Materials Science
7 pages, 5 figures
Scientific paper
10.1103/PhysRevB.81.184108
We have performed ab-initio tensile tests of bulk Al along different tensile axes, as well as perpendicular to different grain boundaries to determine mechanical properties such as interface energy, work of separation and theoretical strength. We show that all the different investigated geometries exhibit energy-displacement curves that can be brought into coincidence in the spirit of the well known universal binding energy relationship curve. This simplifies significantly the calculation of ab-initio tensile strengths for the whole parameter space of grain boundaries.
Ahmed Naveed
Hartmaier Alexander
Janisch Rebecca
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