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Phys. Rev. Lett. 97, 216102 (2006) [4 pages]

Kinetic Coefficient for Hard-Sphere Crystal Growth from the Melt

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Majeed Amini
Department of Physics, University of Kansas, Lawrence, Kansas 66045, USA

Brian B. Laird
Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, USA

Received 12 June 2006; published 20 November 2006

Using molecular-dynamics simulation, we determine the magnitude and anisotropy of the kinetic coefficient (μ) for the crystal growth from the melt for the hard-sphere system through an analysis of equilibrium capillary fluctuations in interfacial height. We find μ100=1.44(7), μ110=1.10(5), and μ111=0.64(3) in units of kB/(mTm), where kB is Boltzmann’s constant, m is the particle mass, and Tm is the melting temperature. These values are shown to be consistent, with some exceptions, with those obtained in recent simulation results a variety of fcc metals, when expressed in hard-sphere units. This suggests that the kinetic coefficient for fcc metals can be roughly estimated from CR/(MTm), where R is the gas constant, M is the molar mass, and C is a constant that varies with interfacial orientation.

© 2006 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.97.216102
DOI:
10.1103/PhysRevLett.97.216102
PACS:
68.08.De, 02.70.Ns, 81.10.Aj