Asymmetrical response of edge pyramidal dislocations in HCP zirconium
under tension and compression: A molecular dynamics study
C Dai and P Saidi and LK Beland and ZW Yao and MR Daymond, COMPUTATIONAL
MATERIALS SCIENCE, 170, UNSP 109183 (2019).
The structure and motion of edge dislocations on the pyramidal I
10 (1) over bar1 plane in alpha-Zr was characterized by atomistic
simulations. The dislocations dissociate into 1/6 02 (2) over bar3 and
1/6 (4) over bar 043 partial dislocations with dissimilar core
structures. In order to capture the slip behavior of the system, shear
stress was applied, in tandem with tension or compression normal stress.
The simulations indicate that the critically resolved shear stress
(CRSS) increases under compression and decreases under tension. They
also indicate that CRSS associated with a single dislocation depends on
the direction of shear, as this alters the nature of the leading partial
dislocation during slip. Finally, the molecular dynamics indicates that
compression leads to cross-slip of the partial dislocations.
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