Tension and stiffness of the hard sphere crystal-fluid interface

A Härtel, M Oettel, RE Rozas, SU Egelhaaf, J Horbach… - Physical review …, 2012 - APS
A Härtel, M Oettel, RE Rozas, SU Egelhaaf, J Horbach, H Löwen
Physical review letters, 2012APS
A combination of fundamental measure density functional theory and Monte Carlo computer
simulation is used to determine the orientation-resolved interfacial tension and stiffness for
the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in
quantitative agreement with simulations and predicts a tension of 0.66 k BT/σ 2 with a small
anisotropy of about 0.025 k BT and stiffnesses with, eg, 0.53 k BT/σ 2 for the (001)
orientation and 1.03 k BT/σ 2 for the (111) orientation. Here k BT is denoting the thermal …
A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of with a small anisotropy of about and stiffnesses with, e.g., for the (001) orientation and for the (111) orientation. Here is denoting the thermal energy and the hard-sphere diameter. We compare our results with existing experimental findings.
American Physical Society
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