DOI: 10.1063/1.2185628. Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys

Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys

10.1063/1.2185628

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Although the properties of crystal-melt interfaces have been extensively studied in pure materials, effects of alloying on the interfacial free energy remain relatively poorly understood. In this work we make use of Monte Carlo computer simulations for model binary Lennard-Jones alloys to explore the effects which variations in atomic-size mismatch and the chemical contributions to mixing energies have upon density and composition profiles, as well as the resulting magnitudes of equilibrium adsorption coefficients in concentrated alloys. We study four different model systems covering a range of chemical and size mismatch, finding relatively small adsorption values which are nevertheless statistically different from zero.

Bibliography

Becker, C. A., Asta, M., Hoyt, J. J., & Foiles, S. M. (2006). Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys. The Journal of Chemical Physics, 124(16).

Authors 4

C. A. Becker (first)
M. Asta (additional)
J. J. Hoyt (additional)
S. M. Foiles (additional)

References 41 Referenced 39

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Dates

Type	When
Created	19 years, 3 months ago (April 24, 2006, 6:21 p.m.)
Deposited	2 years, 1 month ago (June 30, 2023, 1:47 p.m.)
Indexed	2 weeks, 5 days ago (Aug. 2, 2025, 1:03 a.m.)
Issued	19 years, 3 months ago (April 26, 2006)
Published	19 years, 3 months ago (April 26, 2006)
Published Online	19 years, 3 months ago (April 26, 2006)
Published Print	19 years, 3 months ago (April 28, 2006)

Funders 0

None

BibTeX

@article{Becker_2006, title={Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys}, volume={124}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2185628}, DOI={10.1063/1.2185628}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Becker, C. A. and Asta, M. and Hoyt, J. J. and Foiles, S. M.}, year={2006}, month=apr }

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