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To accelerate our simulations, only particles with less than seven neighbors are allowed to move: this approximation is especially justified at low temperatures, since motion of atoms with more than six neighbors become very rare (there are always some particles with six neighbors which move much faster).
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0343018291
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note
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The aspect ratio is defined as the maximum of all the possible ratios obtained with the gyration radii along the x, y, and z axes. Actually, it turns out that the initial aspect ratio is not important since the relaxation rate dramatically slows down as the crystallite approaches equilibrium (see Fig. 3), and the equilibration time is dominated by the final steps.
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24
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0003499994
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See, for example, Solids Far from Equilibrium, edited by C. Godrèche (Cambridge University Press, Cambridge, 1992); A. Pimpinelli and J. Villain, Physics of Crystal Growth (Cambridge University Press, Cambridge, 1998).
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27
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0343018288
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note
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0 = 0 to find the free energy value without germ. The additive constant is then fixed for each curve by choosing ΔG(q = 0, any N) ≡ 0.
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