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note
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The Wulff construction reduces surface energy as compared to a spherical nanocrystal. For a nanocrystal with ∼2000 atoms the average energy per atom decreases by 0.041 eV.
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note
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A more rapid schedule is adopted for the spherical nanocrystal of diameter 60 Å in which pressure is increased in steps of 2.5-5 GPa at a rate of 2.5 GPa per 500 time steps and thermalization at each pressure is carried out for 5000 steps.
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24
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10244247223
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edited by P. C. Bhat and M. Kasemann (American Institute of Physics, Melville, New York)
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