Grain boundary energy and relative ion damage: experimental observation and molecular dynamics simulation

In large-grained (>1 mm grain size), high-purity (200 ppm of oxygen as major impurity), single-phase Zirconium: a combination of thermal grooving and molecular statics (MS) enabled measurements of γ GB (grain boundary energy). Controlled focused ion beam damage, with Ga + (galium) ions, provided...

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Bibliographic Details
Published in:Philosophical magazine letters 2014-09, Vol.94 (9), p.601-608
Main Authors: Revelly, A.K., Monpara, G., Singh, R.P., Panwar, A.S., Mani Krishna, K.V., Tewari, R., Srivastava, D., Dey, G.K., Samajdar, I.
Format: Article
Language:English
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Summary:In large-grained (>1 mm grain size), high-purity (200 ppm of oxygen as major impurity), single-phase Zirconium: a combination of thermal grooving and molecular statics (MS) enabled measurements of γ GB (grain boundary energy). Controlled focused ion beam damage, with Ga + (galium) ions, provided a clear scaling between γ GB and damage kinetics. The latter was obtained through direct observations on apparent grain boundary width by high-resolution electron backscattered diffraction. MS simulations were also used to create tilt boundaries of different γ GB . Molecular dynamics, on the other hand, simulated grain boundary damage through Ga + ion implantation. Simulations, capturing the momentum transfer, reproduced a qualitatively similar trend of γ GB dependence of experimental ion damage.
ISSN:0950-0839
1362-3036
DOI:10.1080/09500839.2014.951706