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Coarse Grained Free Energy Functional for Lennard-Jones Systems

Published online by Cambridge University Press:  15 February 2011

M. E. Gracheva ,
J. M. Rickman ,
J. D. Gunton  and
D. C. Coffey
M. E. Gracheva
Affiliation:
Physics Department, Lehigh University, Bethlehem, PA 18015
J. M. Rickman
Affiliation:
Department of Materials Science, Lehigh University, Bethlehem, PA 18015
J. D. Gunton
Affiliation:
Physics Department, Lehigh University, Bethlehem, PA 18015
D. C. Coffey
Affiliation:
Department of Physics, University of the South, Sewanee, TN 37383
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Abstract

Results are presented for the coarse grained distribution function and Ginzburg-Landau free energy function for coexistence of liquid and gas phases. These distribution functions were obtained by two different methods: 1) the compilation of particle density information from different coarse-grained cells using the canonical ensemble, and 2) the compilation of energy and density information from a single simulation cell by tuning the chemical potential using the grand-canonical ensemble. Both methods permit the calculation of a coarse-grained free energy functional which links the atomic and mesoscopic length scales.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 580: Symposium E – Nucleation & Growth Processes in Materials , 1999 , 363
Copyright
Copyright © Materials Research Society 2000

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References

[1] Langer, J. S., Ann. Phys. (N.Y.) 41, 108 (1967)Google Scholar
[2] Gunton, J. D. and Droz, M., Introduction to the Theory of Metastable and Unstable States, (Springer-Verlag, New York, 1983)Google Scholar
[3] Binder, K., Phys. Rev. Lett. 47, 693 (1981)Google Scholar
[4] Kaski, K., Binder, K. and Gunton, J. D., Phys. Rev. B 29, 3996 (1983)Google Scholar
[5] Bruce, A. D. and Wilding, N. B., Phys. Rev. Lett. 68, 193 (1992);Google Scholar
Wilding, N. B. and Bruce, A. D., J. Phys. Condens. Matter 4, 3087 (1992)Google Scholar
[6] Wilding, N. B., Phys. Rev. E 52,602 (1995)Google Scholar
[7] Broughton, J. Q. and Gilmer, G. H., J. Chem. Phys. 79, 5095 (1983)Google Scholar
[8] Ferrenberg, A. M. and Swendsen, R. H., Phys. Rev. Lett. 61, 2635 (1988); 63, 1195 (1989);Google Scholar
Swendsen, R. H., Physica A 194, 53 (1993)Google Scholar
[9] Berg, B. A. and Neuhaus, T., Phys. Rev. Lett. 68, 9 (1992)Google Scholar