The melting behavior of small clusters of atoms

N. Quirke; Ping Sheng

doi:10.1016/0009-2614(84)80147-5

The melting behavior of small clusters of atoms

N. Quirke^*, Ping Sheng

^*Corresponding author for this work

Research output: Contribution to journal › Journal Article › peer-review

72 Citations (Scopus)

Abstract

The melting transition of small clusters composed of 13 particles interacting via the Lennard-Jones 6-12 potential has been investigated by means of extensive Metropolis Monte Carlo simulations. The results indicate that whereas the cluster evaporates in vacuum, in a confined pore the cluster undergoes a smooth melting transition from an icosahedral microcrystal to an inhomogeneous liquid phase, with a specific heat peak centered at 39 K. No evidence was found to support the suggestion of a solid-liquid transition in vacuum at 29 K.

Original language	English
Pages (from-to)	63-66
Number of pages	4
Journal	Chemical Physics Letters
Volume	110
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(84)80147-5
Publication status	Published - 14 Sept 1984
Externally published	Yes

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title = "The melting behavior of small clusters of atoms",

abstract = "The melting transition of small clusters composed of 13 particles interacting via the Lennard-Jones 6-12 potential has been investigated by means of extensive Metropolis Monte Carlo simulations. The results indicate that whereas the cluster evaporates in vacuum, in a confined pore the cluster undergoes a smooth melting transition from an icosahedral microcrystal to an inhomogeneous liquid phase, with a specific heat peak centered at 39 K. No evidence was found to support the suggestion of a solid-liquid transition in vacuum at 29 K.",

author = "N. Quirke and Ping Sheng",

year = "1984",

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doi = "10.1016/0009-2614(84)80147-5",

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T1 - The melting behavior of small clusters of atoms

AU - Quirke, N.

AU - Sheng, Ping

PY - 1984/9/14

Y1 - 1984/9/14

N2 - The melting transition of small clusters composed of 13 particles interacting via the Lennard-Jones 6-12 potential has been investigated by means of extensive Metropolis Monte Carlo simulations. The results indicate that whereas the cluster evaporates in vacuum, in a confined pore the cluster undergoes a smooth melting transition from an icosahedral microcrystal to an inhomogeneous liquid phase, with a specific heat peak centered at 39 K. No evidence was found to support the suggestion of a solid-liquid transition in vacuum at 29 K.

AB - The melting transition of small clusters composed of 13 particles interacting via the Lennard-Jones 6-12 potential has been investigated by means of extensive Metropolis Monte Carlo simulations. The results indicate that whereas the cluster evaporates in vacuum, in a confined pore the cluster undergoes a smooth melting transition from an icosahedral microcrystal to an inhomogeneous liquid phase, with a specific heat peak centered at 39 K. No evidence was found to support the suggestion of a solid-liquid transition in vacuum at 29 K.

UR - https://www.webofscience.com/wos/woscc/full-record/WOS:A1984TJ93600013

UR - https://openalex.org/W1972652826

UR - https://www.scopus.com/pages/publications/0002396050

U2 - 10.1016/0009-2614(84)80147-5

DO - 10.1016/0009-2614(84)80147-5

M3 - Journal Article

SN - 0009-2614

VL - 110

SP - 63

EP - 66

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1

ER -

The melting behavior of small clusters of atoms

Abstract

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