DOI: 10.1142/s0218301304002454. FUSION PROCESS OF LENNARD–JONES CLUSTERS: GLOBAL MINIMA AND MAGIC NUMBERS FORMATION

FUSION PROCESS OF LENNARD–JONES CLUSTERS: GLOBAL MINIMA AND MAGIC NUMBERS FORMATION

10.1142/s0218301304002454

Crossref journal-article

World Scientific Pub Co Pte Ltd

International Journal of Modern Physics E (219)

Abstract

We present a new theoretical framework for modeling the fusion process of Lennard–Jones (LJ) clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing paths up to the cluster size of 150 atoms. We demonstrate that in this way all known global minima structures of the LJ-clusters can be found. Our method provides an efficient tool for the calculation and analysis of atomic cluster structure. With its use we justify the magic number sequence for the clusters of noble gas atoms and compare it with experimental observations. We report the striking correspondence of the peaks in the dependence of the second derivative of the binding energy per atom on cluster size calculated for the chain of the LJ-clusters based on the icosahedral symmetry with the peaks in the abundance mass spectra experimentally measured for the clusters of noble gas atoms. Our method serves as an efficient alternative to the global optimization techniques based on the Monte-Carlo simulations and it can be applied for the solutions of a broad variety of problems in which atomic cluster structure is important.

Bibliography

SOLOVâYOV, I. A., SOLOVâYOV, A. V., & GREINER, W. (2004). FUSION PROCESS OF LENNARDâJONES CLUSTERS: GLOBAL MINIMA AND MAGIC NUMBERS FORMATION. International Journal of Modern Physics E, 13(04), 697â736.

Authors 3

ILIA A. SOLOV'YOV (first)
ANDREY V. SOLOV'YOV (additional)
WALTER GREINER (additional)

References 33 Referenced 26

10.1103/PhysRevLett.52.2141
{'volume-title': 'Metal Clusters', 'year': '1999', 'author': 'Ekardt W.', 'key': 'rf3'} / Metal Clusters by Ekardt W. (1999)
{'key': 'rf4', 'first-page': '1', 'volume': '115', 'author': 'Wales D. J.', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. by Wales D. J.
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{'volume-title': 'Genetic Algorithms in Search, Optimization, and Machine Learning', 'year': '1989', 'author': 'Goldberg D. E.', 'key': 'rf23'} / Genetic Algorithms in Search, Optimization, and Machine Learning by Goldberg D. E. (1989)
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{'key': 'rf30', 'series-title': 'Series in Chemical Physics', 'volume-title': 'Clusters of Atoms and Molecules, Theory, Experiment and Clusters of Atoms', 'volume': '52', 'author': 'Haberland H.', 'year': '1994'} / Clusters of Atoms and Molecules, Theory, Experiment and Clusters of Atoms / Series in Chemical Physics by Haberland H. (1994)
10.1103/PhysRevLett.53.2390
{'volume-title': 'Parameters of Atoms and Atomic Ions', 'year': '1986', 'author': 'Radzig A. A.', 'key': 'rf32'} / Parameters of Atoms and Atomic Ions by Radzig A. A. (1986)
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{'volume-title': 'Nuclear Structure', 'year': '1969', 'author': 'Bohr A.', 'key': 'rf36'} / Nuclear Structure by Bohr A. (1969)

Dates

Type	When
Created	20 years, 11 months ago (Sept. 17, 2004, 2:44 a.m.)
Deposited	6 years ago (Aug. 6, 2019, 3:19 p.m.)
Indexed	11 months, 1 week ago (Sept. 15, 2024, 6:29 p.m.)
Issued	21 years ago (Aug. 1, 2004)
Published	21 years ago (Aug. 1, 2004)
Published Online	13 years, 3 months ago (May 3, 2012)
Published Print	21 years ago (Aug. 1, 2004)

Funders 0

None

BibTeX

@article{SOLOV_YOV_2004, title={FUSION PROCESS OF LENNARD–JONES CLUSTERS: GLOBAL MINIMA AND MAGIC NUMBERS FORMATION}, volume={13}, ISSN={1793-6608}, url={http://dx.doi.org/10.1142/s0218301304002454}, DOI={10.1142/s0218301304002454}, number={04}, journal={International Journal of Modern Physics E}, publisher={World Scientific Pub Co Pte Ltd}, author={SOLOV’YOV, ILIA A. and SOLOV’YOV, ANDREY V. and GREINER, WALTER}, year={2004}, month=aug, pages={697–736} }

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