DOI: 10.1063/1.445635. Molecular dynamics investigation of the crystal–fluid interface. III. Dynamical properties of fcc crystal

Molecular dynamics investigation of the crystal–fluid interface. III. Dynamical properties of fcc crystal–vapor systems

10.1063/1.445635

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Dynamical properties of the (111), (100), and (110) faces of a face centered cubic crystal–vapor system have been obtained at a series of temperatures along the crystal–vapor coexistence line by molecular dynamics techniques. The particles interact by means of a Lennard-Jones potential. We find that all three faces exhibit a signficant degree of surface disorder and atomic mobility near the bulk melting point. Although the diffusion coefficients in the surface layers vary markedly, the total surface mass transport is approximately equal for the three faces.

Bibliography

Broughton, J. Q., & Gilmer, G. H. (1983). Molecular dynamics investigation of the crystalâfluid interface. III. Dynamical properties of fcc crystalâvapor systems. The Journal of Chemical Physics, 79(10), 5119â5127.

Authors 2

Jeremy Q. Broughton (first)
George H. Gilmer (additional)

References 42 Referenced 159

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Dates

Type	When
Created	22 years, 5 months ago (Feb. 28, 2003, 12:03 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:28 p.m.)
Indexed	2 months, 3 weeks ago (May 26, 2025, 7:23 a.m.)
Issued	41 years, 9 months ago (Nov. 15, 1983)
Published	41 years, 9 months ago (Nov. 15, 1983)
Published Print	41 years, 9 months ago (Nov. 15, 1983)

Funders 0

None

BibTeX

@article{Broughton_1983, title={Molecular dynamics investigation of the crystal–fluid interface. III. Dynamical properties of fcc crystal–vapor systems}, volume={79}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.445635}, DOI={10.1063/1.445635}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Broughton, Jeremy Q. and Gilmer, George H.}, year={1983}, month=nov, pages={5119–5127} }

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