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Artículos de revistas sobre el tema "Lennard-Jones clusters"

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Publicado: 8 de febrero de 2025

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1

Rom�n, C. E. y I. L. Garz�n. "Evaporation of Lennard-Jones clusters". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 20, n.º 1-4 (marzo de 1991): 163–66. http://dx.doi.org/10.1007/bf01543964.

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2

Cai, Wensheng, Yan Feng, Xueguang Shao y Zhongxiao Pan. "Optimization of Lennard-Jones atomic clusters". Journal of Molecular Structure: THEOCHEM 579, n.º 1-3 (marzo de 2002): 229–34. http://dx.doi.org/10.1016/s0166-1280(01)00730-8.

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3

Garz�n, I. L. y M. Avalos-Borja. "Thermal decay of Lennard-Jones clusters". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 12, n.º 1-4 (marzo de 1989): 185–87. http://dx.doi.org/10.1007/bf01426934.

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4

Lacava, Johann, Philip Born y Tobias Kraus. "Nanoparticle Clusters with Lennard-Jones Geometries". Nano Letters 12, n.º 6 (14 de mayo de 2012): 3279–82. http://dx.doi.org/10.1021/nl3013659.

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5

Pal, Barnana. "Ordering in Two-Dimensional Lennard-Jones Clusters". ISRN Condensed Matter Physics 2012 (6 de febrero de 2012): 1–7. http://dx.doi.org/10.5402/2012/342642.

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Cluster formation in a two-dimensional Lennard-Jones system under different conditions of temperature () and particle concentration () has been studied using the Monte-Carlo method with the introduction of real thermal motion of the constituent particles through a modification of the conventional Metropolis algorithm. The - phase diagram determined from the study of the root mean square displacement of the particles shows features characteristics of the - diagram for phase equilibrium in real systems. The solid-like to liquid-like transition takes place when the average nearest neighbour distance increases by ~1% of the equilibrium value in the low-temperature solid-like configuration. The Lindemann parameter () is found to decrease with the increase of to reach a steady value of for .
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6

Mravlak, Marko, Thomas Kister, Tobias Kraus y Tanja Schilling. "Structure diagram of binary Lennard-Jones clusters". Journal of Chemical Physics 145, n.º 2 (14 de julio de 2016): 024302. http://dx.doi.org/10.1063/1.4954938.

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7

Cassioli, Andrea, Marco Locatelli y Fabio Schoen. "Global optimization of binary Lennard–Jones clusters". Optimization Methods and Software 24, n.º 4-5 (octubre de 2009): 819–35. http://dx.doi.org/10.1080/10556780802614101.

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8

SOLOV'YOV, ILIA A., ANDREY V. SOLOV'YOV y WALTER GREINER. "FUSION PROCESS OF LENNARD–JONES CLUSTERS: GLOBAL MINIMA AND MAGIC NUMBERS FORMATION". International Journal of Modern Physics E 13, n.º 04 (agosto de 2004): 697–736. http://dx.doi.org/10.1142/s0218301304002454.

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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.
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9

Calvo, F., M. Benali, V. Gerbaud y M. Hemati. "Close-packing transitions in clusters of Lennard-Jones spheres". Computing Letters 1, n.º 4 (6 de marzo de 2005): 183–91. http://dx.doi.org/10.1163/157404005776611295.

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The structures of clusters of spherical and homogeneous particles are investigated using a combination of global optimization methods. The pairwise potential between particles is integrated exactly from elementary Lennard-Jones interactions, and the use of reduced units allows us to get insight into the effects of the particle diameter. As the diameter increases, the potential becomes very sharp, and the cluster structure generally changes from icosahedral (small radius) to close-packed cubic (large radius), possibly through intermediate decahedral shapes. The results are interpreted in terms of the effective range of the potential.
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10

Garzón, I. L., M. Avalos Borja y Estela Blaisten-Barojas. "Phenomenological model of melting in Lennard-Jones clusters". Physical Review B 40, n.º 7 (1 de septiembre de 1989): 4749–59. http://dx.doi.org/10.1103/physrevb.40.4749.

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11

Daldoss, G., O. Pilla y G. Viliani. "Search for tunnelling centres in Lennard-Jones clusters". Philosophical Magazine B 77, n.º 2 (febrero de 1998): 689–98. http://dx.doi.org/10.1080/13642819808204996.

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12

Pankova, Arina A. y Vladislav A. Blatov. "4-150-atom Lennard–Jones clusters in intermetallics". Acta Crystallographica Section A Foundations of Crystallography 69, a1 (25 de agosto de 2013): s457. http://dx.doi.org/10.1107/s0108767313096037.

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13

Calvo, F. "Chaos and dynamical coexistence in Lennard-Jones clusters". Journal of Chemical Physics 108, n.º 16 (22 de abril de 1998): 6861–67. http://dx.doi.org/10.1063/1.476100.

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14

Osenda, Omar, Pablo Serra y Francisco A. Tamarit. "Non-equilibrium properties of small Lennard-Jones clusters". Physica D: Nonlinear Phenomena 168-169 (agosto de 2002): 336–40. http://dx.doi.org/10.1016/s0167-2789(02)00521-3.

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15

Barrón, C., S. Gómez, D. Romero y A. Saavedra. "A genetic algorithm for Lennard-Jones atomic clusters". Applied Mathematics Letters 12, n.º 7 (octubre de 1999): 85–90. http://dx.doi.org/10.1016/s0893-9659(99)00106-8.

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16

Celestini, F., R. J. M. Pellenq, P. Bordarier y B. Rousseau. "Melting of Lennard-Jones clusters in confined geometries". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 37, n.º 1 (15 de abril de 1996): 49–53. http://dx.doi.org/10.1007/s004600050008.

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17

Garz�n, I. L., M. Avalos-Borja y E. Blaisten-Barojas. "More on the melting of Lennard-Jones clusters". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 12, n.º 1-4 (marzo de 1989): 181–83. http://dx.doi.org/10.1007/bf01426933.

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18

Wang, Q., M. P. I�iguez y J. A. Alonso. "Molecular dynamics study of A18B lennard-jones clusters". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 31, n.º 4 (diciembre de 1994): 299–301. http://dx.doi.org/10.1007/bf01445011.

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19

Reardon, A. C. y D. J. Quesnel. "Growth of equilibrium clusters of Lennard-Jones molecules". Journal of Computational Physics 83, n.º 1 (julio de 1989): 240–45. http://dx.doi.org/10.1016/0021-9991(89)90231-3.

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20

Parneix, P. y Ph Bréchignac. "Evaporation dynamics of mixed Lennard-Jones atomic clusters". Journal of Chemical Physics 118, n.º 18 (8 de mayo de 2003): 8234–41. http://dx.doi.org/10.1063/1.1566738.

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21

Daldoss, O. Pilla, G. Viliani, G. "Search for tunnelling centres in Lennard-Jones clusters". Philosophical Magazine B 77, n.º 2 (1 de febrero de 1998): 689–98. http://dx.doi.org/10.1080/014186398259789.

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22

COPPOCK, JOSEPH D., BENJAMIN T. BOMSTAD, DAVID T. HUEBNER, JACQUELYN P. STREY y BRIAN G. MOORE. "POTENTIAL ENERGY AS A PLUCKING CRITERION FOR LIQUID CLUSTER SIMULATIONS". International Journal of Modern Physics C 19, n.º 03 (marzo de 2008): 509–21. http://dx.doi.org/10.1142/s0129183108012133.

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We have investigated the liquid state of atomic clusters interacting through a classical pair-wise Lennard–Jones 6–12 potential, using constant energy molecular dynamics simulations. For larger clusters (N ≳ 500–600 atoms) desorption events are frequent and a cluster in the liquid state eventually always converts to a solid state. To study the cluster as it cools, one must isolate the central cluster from the desorbed atoms. In this paper, we investigate using the atomic potential energy as a very simple criterion for removing desorbed atoms from the simulation, and examine the spatial profile of atomic potential energy in various size liquid and solid clusters.
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23

Doye, Jonathan P. K. y Florent Calvo. "Entropic effects on the structure of Lennard-Jones clusters". Journal of Chemical Physics 116, n.º 19 (2002): 8307. http://dx.doi.org/10.1063/1.1469616.

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24

Schnabel, Stefan, Michael Bachmann y Wolfhard Janke. "Elastic Lennard-Jones polymers meet clusters: Differences and similarities". Journal of Chemical Physics 131, n.º 12 (28 de septiembre de 2009): 124904. http://dx.doi.org/10.1063/1.3223720.

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25

Romero, David, Carlos Barrón y Susana Gómez. "The optimal geometry of Lennard-Jones clusters: 148–309". Computer Physics Communications 123, n.º 1-3 (diciembre de 1999): 87–96. http://dx.doi.org/10.1016/s0010-4655(99)00259-3.

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26

Garz�n, I. L., X. P. Long, R. Kawai y J. H. Weare. "Structure and dynamics of Lennard-Jones clusters with impurities". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 12, n.º 1-4 (marzo de 1989): 81–83. http://dx.doi.org/10.1007/bf01426910.

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27

Moore, Brian G. y Afraa A. Al-Quraishi. "The structure of liquid clusters of Lennard-Jones atoms". Chemical Physics 252, n.º 3 (febrero de 2000): 337–47. http://dx.doi.org/10.1016/s0301-0104(99)00334-1.

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28

Gong, Rui y Longjiu Cheng. "Anisotropy effect of multi-center Lennard-Jones molecular clusters". Computational and Theoretical Chemistry 1082 (abril de 2016): 41–48. http://dx.doi.org/10.1016/j.comptc.2016.03.008.

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29

Hansen, K. "Description of unimolecular reaction rates of Lennard-Jones clusters". Journal of Physics B: Atomic, Molecular and Optical Physics 52, n.º 23 (4 de noviembre de 2019): 235101. http://dx.doi.org/10.1088/1361-6455/ab4873.

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30

Sabo, Dubravko, Cristian Predescu, J. D. Doll y David L. Freeman. "Phase changes in selected Lennard-Jones X13−nYn clusters". Journal of Chemical Physics 121, n.º 2 (8 de julio de 2004): 856–67. http://dx.doi.org/10.1063/1.1759625.

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31

Doye, Jonathan P. K., David J. Wales y Mark A. Miller. "Thermodynamics and the global optimization of Lennard-Jones clusters". Journal of Chemical Physics 109, n.º 19 (15 de noviembre de 1998): 8143–53. http://dx.doi.org/10.1063/1.477477.

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32

CHEN, L. Y. y N. J. M. HORING. "STUDY OF LENNARD-JONES CLUSTERS: EFFECTS OF ANHARMONICITIES FAR FROM SADDLE POINTS". International Journal of High Speed Electronics and Systems 18, n.º 01 (marzo de 2008): 119–26. http://dx.doi.org/10.1142/s0129156408005199.

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We study the transition pathways of a Lennard-Jones cluster of seven particles in three dimensions. Low lying saddle points of the LJ cluster, which can be reached directly from a minimum without passing through another minimum, are identified without any presumption of their characteristics, nor of the product states they lead to. The probabilities are computed for paths going from a given minimum to the surrounding saddle points. These probabilities are directly related to prefactors in the rate formula. This determination of the rate prefactors includes all anharmonicities, near or far from saddle points, which are pertinent in the very sophisticated energy landscape of LJ clusters and in many other complex systems.
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33

IKESHOJI, T. "MOLECULAR DYNAMICS SIMULATION FOR THE CLUSTERING PROCESS BY TEMPERATURE CONTROL". Surface Review and Letters 03, n.º 01 (febrero de 1996): 247–51. http://dx.doi.org/10.1142/s0218625x96000486.

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The clusterization process from gas states of Lennard–Jones (L–J) potential atom and water molecule of the TIP4P model was simulated by the molecular dynamics calculation with a constant-temperature thermostat at 0.1 (reduced unit) for the L–J atom system and at 200 K for the water molecule. The linear relationship between the logarithm of the populatlon and the cluster size was observed with no significant peak. The inner temperature of clusters was higher than the system temperature. Structure parameters derived from the inertia of clusters gave the following information on the structure. Clusters grow at first in linear or planar structure. Dipole interaction of water molecules favors more linear structure at the beginning of the cluster formation. Clusters around 13 L–J atoms become highly spherical and water clusters of 3–5 members become rings, after lowering of the temperature.
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34

van de Waal, Benjamin W. "Stability of face‐centered cubic and icosahedral Lennard‐Jones clusters". Journal of Chemical Physics 90, n.º 6 (15 de marzo de 1989): 3407–8. http://dx.doi.org/10.1063/1.455848.

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35

Blaisten-Barojas, Estela, I. L. Garzón y M. Avalos-Borja. "Melting and freezing of Lennard-Jones clusters on a surface". Physical Review B 36, n.º 16 (1 de diciembre de 1987): 8447–55. http://dx.doi.org/10.1103/physrevb.36.8447.

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36

Northby, J. A. "Structure and binding of Lennard‐Jones clusters: 13≤N≤147". Journal of Chemical Physics 87, n.º 10 (15 de noviembre de 1987): 6166–77. http://dx.doi.org/10.1063/1.453492.

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37

Iwamatsu, Masao. "Icosahedral binary clusters of glass-forming Lennard–Jones binary alloy". Materials Science and Engineering: A 449-451 (marzo de 2007): 975–78. http://dx.doi.org/10.1016/j.msea.2006.02.257.

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38

Lozovik, Yuri E. y Andrey M. Popov. "Equilibrium clusters in dense Lennard-Jones gas: molecular dynamics simulation". Journal of Physical Chemistry 98, n.º 2 (enero de 1994): 436–40. http://dx.doi.org/10.1021/j100053a016.

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39

Northby, J. A., J. Xie, David L. Freeman y J. D. Doll. "Binding energy of large icosahedral and cuboctahedral Lennard-Jones clusters". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 12, n.º 1-4 (marzo de 1989): 69–71. http://dx.doi.org/10.1007/bf01426907.

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40

Shao, Xueguang, Yuhong Xiang y Wensheng Cai. "Formation of the central vacancy in icosahedral Lennard-Jones clusters". Chemical Physics 305, n.º 1-3 (octubre de 2004): 69–75. http://dx.doi.org/10.1016/j.chemphys.2004.06.032.

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41

Martinez, Hernan L., R. Ravi y Susan C. Tucker. "Characterization of solvent clusters in a supercritical Lennard‐Jones fluid". Journal of Chemical Physics 104, n.º 3 (15 de enero de 1996): 1067–80. http://dx.doi.org/10.1063/1.470762.

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42

Blanc, X. "Lower Bound for the Interatomic Distance in Lennard-Jones Clusters". Computational Optimization and Applications 29, n.º 1 (octubre de 2004): 5–12. http://dx.doi.org/10.1023/b:coap.0000039486.97389.87.

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43

Wales, David J. "Rearrangements of 55‐atom Lennard‐Jones and (C60)55 clusters". Journal of Chemical Physics 101, n.º 5 (septiembre de 1994): 3750–62. http://dx.doi.org/10.1063/1.467559.

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44

Daven, D. M., N. Tit, J. R. Morris y K. M. Ho. "Structural optimization of Lennard-Jones clusters by a genetic algorithm". Chemical Physics Letters 256, n.º 1-2 (junio de 1996): 195–200. http://dx.doi.org/10.1016/0009-2614(96)00406-x.

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45

Chekmarev, S. F. y F. S. Liu. "Some aspects of dynamic chaos in small Lennard-Jones clusters". Zeitschrift f�r Physik D Atoms, Molecules and Clusters 20, n.º 1-4 (marzo de 1991): 231–33. http://dx.doi.org/10.1007/bf01543980.

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46

Lai, XiangJing, RuChu Xu y WenQi Huang. "Prediction of the lowest energy configuration for Lennard-Jones clusters". Science China Chemistry 54, n.º 6 (31 de mayo de 2011): 985–91. http://dx.doi.org/10.1007/s11426-011-4280-4.

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47

Awasthi, A., S. C. Hendy y S. A. Brown. "Oblique Impacts and Rebounds of Lennard-Jones Clusters on Solid Surfaces". Mathematics and Mechanics of Solids 15, n.º 7 (26 de julio de 2010): 771–81. http://dx.doi.org/10.1177/1081286510374687.

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48

Xue, Fei, Yongquan Cai, Yongjing Chen y Zhihua Cui. "Discrete Social Emotional Optimization Algorithm with Lattice for Lennard-Jones Clusters". Journal of Computational and Theoretical Nanoscience 12, n.º 8 (1 de agosto de 2015): 1963–67. http://dx.doi.org/10.1166/jctn.2015.4214.

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49

Chen, Yongjing, Zhihua Cui, Jian Yin y Ying Tan. "Global minimum structure optimisation of Lennard-Jones clusters by hybrid PSO". International Journal of Modelling, Identification and Control 14, n.º 4 (2011): 303. http://dx.doi.org/10.1504/ijmic.2011.043154.

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50

Dawid, A. y Z. Gburski. "Interaction-induced light scattering in Lennard-Jones argon clusters: Computer simulations". Physical Review A 56, n.º 4 (1 de octubre de 1997): 3294–96. http://dx.doi.org/10.1103/physreva.56.3294.

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