On the premelting features in sodium clusters

被引:41
作者
Calvo, F [1 ]
Spiegelman, F [1 ]
机构
[1] Univ Toulouse 3, IRSAMC, Phys Quant Lab, F-31062 Toulouse, France
关键词
D O I
10.1063/1.1714792
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Melting in Na-n clusters described with an empirical embedded-atom potential has been reexamined in the size range 55less than or equal tonless than or equal to147 with a special attention at sizes close to 130. Contrary to previous findings, premelting effects are also present at such medium sizes, and they turn out to be even stronger than the melting process itself for Na-133 or Na-135. These results indicate that the empirical potential is qualitatively inadequate to model sodium clusters. (C) 2004 American Institute of Physics.
引用
收藏
页码:9684 / 9689
页数:6
相关论文
共 46 条
  • [1] Orbital-free molecular dynamics simulations of melting in Na8 and Na20:: Melting in steps
    Aguado, A
    López, JM
    Alonso, JA
    Stott, MJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (13) : 6026 - 6035
  • [2] Temperature-dependent ionization potential of sodium clusters
    Akola, J
    Rytkönen, A
    Häkkinen, H
    Manninen, M
    [J]. EUROPEAN PHYSICAL JOURNAL D, 2000, 8 (01) : 93 - 99
  • [3] [Anonymous], 1991, 23 S INTERFACE
  • [4] The Quickhull algorithm for convex hulls
    Barber, CB
    Dobkin, DP
    Huhdanpaa, H
    [J]. ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE, 1996, 22 (04): : 469 - 483
  • [5] UNEQUAL FREEZING AND MELTING TEMPERATURES FOR CLUSTERS
    BERRY, RS
    JELLINEK, J
    NATANSON, G
    [J]. CHEMICAL PHYSICS LETTERS, 1984, 107 (03) : 227 - 230
  • [6] ENERGETIC AND THERMODYNAMIC SIZE EFFECTS IN MOLECULAR CLUSTERS
    BIXON, M
    JORTNER, J
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (03) : 1631 - 1642
  • [7] Hot and solid gallium clusters: Too small to melt
    Breaux, GA
    Benirschke, RC
    Sugai, T
    Kinnear, BS
    Jarrold, MF
    [J]. PHYSICAL REVIEW LETTERS, 2003, 91 (21) : 1 - 215508
  • [8] MOLECULAR-DYNAMICS STUDY OF STRUCTURE AND THERMODYNAMIC PROPERTIES OF ARGON MICROCLUSTERS
    BRIANT, CL
    BURTON, JJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) : 2045 - 2058
  • [9] Phenomenological model for the statistical study of charged metal clusters
    Calvo, F
    [J]. PHYSICAL REVIEW B, 1999, 60 (23): : 15601 - 15604
  • [10] Mechanisms of phase transitions in sodium clusters: From molecular to bulk behavior
    Calvo, F
    Spiegelmann, F
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (06) : 2888 - 2908