DOI: 10.1063/1.481909. On the convergence of global thermal properties of clusters extracted from simulations

On the convergence of global thermal properties of clusters extracted from simulations

10.1063/1.481909

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Using standard classical molecular dynamics, we calculate the complete caloric curves of various metallic, ionic, or van der Waals clusters of different sizes. The apparent melting temperature is shown to be shifted to upper values as the simulation length τ is decreased. The shift ΔTmelt roughly scales as Nα/τβ, where N is the number of particles, α is about 0.6, and β is about 2.1.

Bibliography

Calvo, F., & Guet, C. (2000). On the convergence of global thermal properties of clusters extracted from simulations. The Journal of Chemical Physics, 113(3), 1315â1317.

Authors 2

F. Calvo (first)
C. Guet (additional)

References 11 Referenced 8

{'key': '2024020616355849200_r1'}
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10.1063/1.453602 / J. Chem. Phys. (1987)
10.1080/00268979300100141 / Mol. Phys. (1993)
10.1063/1.464097 / J. Chem. Phys. (1993)
{'key': '2024020616355849200_r4'}
10.1103/PhysRevB.57.15519 / Phys. Rev. B (1998)
10.1021/jp980118q / J. Phys. Chem. B (1998)
10.1016/S0009-2614(95)01226-5 / Chem. Phys. Lett. (1995)
10.1007/BF02189229 / J. Stat. Phys. (1996)
10.1103/PhysRevLett.83.4682 / Phys. Rev. Lett. (1999)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:20 a.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 3:41 p.m.)
Indexed	1 year, 6 months ago (Feb. 6, 2024, 4:10 p.m.)
Issued	25 years, 1 month ago (July 15, 2000)
Published	25 years, 1 month ago (July 15, 2000)
Published Print	25 years, 1 month ago (July 15, 2000)

Funders 0

None

BibTeX

@article{Calvo_2000, title={On the convergence of global thermal properties of clusters extracted from simulations}, volume={113}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.481909}, DOI={10.1063/1.481909}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Calvo, F. and Guet, C.}, year={2000}, month=jul, pages={1315–1317} }

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