Crystal growth and interface relaxation rates from fluctuations in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system

Tepper, H.L. and Briels, W.J. (2002) Crystal growth and interface relaxation rates from fluctuations in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system. Journal of Chemical Physics, 116 (12). pp. 5186-5195. ISSN 0021-9606

PDF
Restricted to UT campus only: Request a copy
153Kb

Abstract:	The kinetic coefficient of crystallization is calculated according to a previously introduced equilibrium method [Phys. Rev. Lett. 79, 5074 (1997)]. The existence of two regimes of interface relaxation and macroscopic growth, such as they were found in previous nonequilibrium simulations, is fully confirmed by the results of the equilibrium method. Special attention is given to the relation between pressure fluctuations and fluctuations of the amount of crystalline material. Furthermore, we investigate the density and order parameter profiles of the interface and make a clear distinction between the instantaneous structure and the time-averaged profile which is usually presented.
Item Type:	Article
Copyright:	© 2002 American Institute of Physics
Faculty:	Science and Technology (TNW)
Research Group:	Computational Biophysics (CBP)
Link to this item:	http://purl.utwente.nl/publications/59755
Official URL:	http://dx.doi.org/10.1063/1.1452110
Export this item as:	BibTeX EndNote HTML Citation Reference Manager

Show download statistics for this publication

Repository Staff Only: item control page

Metis ID: 207182