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Abstract

Effects of the width of direct correlation function peak and the peak at k=0 on the phase diagram for the two-mode phase field crystal model are examined carefully. The results indicate that increasing the width of direct correlation function peak will expand the stability region of the ordered phases; however, increasing the ratio of peak width will significantly increase the fcc phase region but reduce the bcc phase region. Adding a negative Gaussian peak at k=0 to the two-mode approximate direct correlation function will compress the phase diagram and make the two-phase coexisting region narrow.

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1.
Funds:Project supported by the National Natural Science Foundation of China (Grant Nos. 51071128, 51101124) and the National Basic Research Program of China (Grant No. 2011CB610401).

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Vol. 62, Issue 10 - 2013-05-20

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