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There are no negative values for the constituent strain energy in Fig. 33. This is due to the following: In the minimization of Eq. (2), we have restricted the lattice constant range of (Formula presented) to be between (Formula presented) and (Formula presented) (the lattice constant of undistorted fcc Zn). Relaxing this constraint only affects the constituent strain for Zn-rich compositions and thus does not affect the results of this paper.
-
There are no negative values for the constituent strain energy in Fig. 33. This is due to the following: In the minimization of Eq. (2), we have restricted the lattice constant range of (Formula presented) to be between (Formula presented) and (Formula presented) (the lattice constant of undistorted fcc Zn). Relaxing this constraint only affects the constituent strain for Zn-rich compositions and thus does not affect the results of this paper.
-
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47
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Recently, it has been found [C. Wolverton, V. Ozoliņš, and A. Zunger (unpublished)] that attenuating the constituent strain term can be important in strongly anharmonic, ordering type systems. Attenuating the constituent strain does not have any significant effect on the Al-rich Al-Cu and Al-Zn systems considered in this paper.
-
Recently, it has been found [C. Wolverton, V. Ozoliņš, and A. Zunger (unpublished)] that attenuating the constituent strain term can be important in strongly anharmonic, ordering type systems. Attenuating the constituent strain does not have any significant effect on the Al-rich Al-Cu and Al-Zn systems considered in this paper.
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