DOI: 10.1063/1.1680883. Thermodynamics of small clusters of atoms: A molecular dynamics simulation

Thermodynamics of small clusters of atoms: A molecular dynamics simulation

10.1063/1.1680883

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The thermodynamic properties of clusters containing 55, 135, and 429 atoms have been calculated using the molecular dynamics method. Structural and vibrational properties of the clusters were examined at different temperatures in both the solid and the liquid phase. The nature of the melting transition was investigated, and a number of properties, such as melting temperature, latent heat of melting, and premelting phenomena, were found to vary with cluster size. These properties were also found to depend on the structure of the solid phase. In this phase the configuration of lowest free energy was found to be icosahedral in the 55-atom system and face centered cubic for the two larger systems.

Authors 3

W. Damgaard Kristensen (first)
E. J. Jensen (additional)
R. M. J. Cotterill (additional)

References 21 Referenced 129

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10.1063/1.1675584 / J. Chem. Phys. (1971)
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10.1016/0009-2614(72)85002-4 / Chem. Phys. Lett. (1972)
10.1103/PhysRevB.1.851 / Phys. Rev. B (1970)
10.1016/0010-4655(73)90006-4 / Comput. Phys. Commun. (1973)
{'key': '2024020911411539400_r10', 'first-page': '100', 'volume': '243', 'year': '1973', 'journal-title': 'Nat. Phys. Sci.'} / Nat. Phys. Sci. (1973)
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Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 4:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:35 a.m.)
Indexed	1 month, 1 week ago (July 13, 2025, 10:47 p.m.)
Issued	51 years, 2 months ago (June 1, 1974)
Published	51 years, 2 months ago (June 1, 1974)
Published Print	51 years, 2 months ago (June 1, 1974)

Funders 0

None

BibTeX

@article{Kristensen_1974, title={Thermodynamics of small clusters of atoms: A molecular dynamics simulation}, volume={60}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1680883}, DOI={10.1063/1.1680883}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kristensen, W. Damgaard and Jensen, E. J. and Cotterill, R. M. J.}, year={1974}, month=jun, pages={4161–4169} }

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