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  • 1
    Electronic Resource
    Electronic Resource
    Structural fluctuation and atom-permutation in transition-metal clusters (1989)
    Springer
    The European physical journal 14 (1989), S. 247-261 
    Details
    ISSN: 1434-6079
    Keywords: 36.40
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The atomic structure and thermodynamic properties of transition-metal clusters containingN atoms are investigated forN=6 and 7 using the method of molecular dynamics, where Gupta's potential taking into account many-body interaction is employed. The caloric curve (total energy — temperature curve) and the structural fluctuations are studied. The “fluctuating state” is found forN=6 in the region of the temperature near below the melting point, where clusters undergo structural transition from one isomer to others without making any topological change. The fluctuating state differs from the coexistence state in that the former involves no atomic diffusion, and goes to a structural phase transition of the bulk whenN is increased. On the other hand, the motion of atom-permutation is found in the low-temperature region of the liquid state, being induced by the cooperative motion of two atoms. It is discussed that such a motion easily occurs along the surface and may be considered to be one of the characteristics of small clusters. The fluctuating state is discussed in relation to the structural fluctuation of gold clusters observed experimentally.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01437325
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Dynamics of transition-metal clusters (1989)
    Springer
    The European physical journal 12 (1989), S. 189-191 
    Details
    ISSN: 1434-6079
    Keywords: 36.40 ; 64.60
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The atomic structure and thermodynamic properties of transition-metal 6- and 7-atom clusters are investigated using the molecular dynamics method, where Gupta's potential taking into account many-body interaction is employed. The caloric and the structural fluctuations are studied. The “fluctuating state” is found forN=6 in the region of the temperature near and below the melting point, where clusters undergo structural transition from one isomer to others without making any topological change. The fluctuating state differs from the “coexistence state” found in Ar clusters [1] i.e. the former involves no liquid state. In the liquid state the motion of atom-permutation occurs besides the breathing motion. On the other hand, the fluctuating state is not found forN=7 but only the motion of atom-permutation in the liquid state. The coexistence state is found in both cases of 6- and 7-atom clusters. We also discuss a possibility of larger clusters displaying the fluctuating state.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01426935
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Structural fluctuation of Au55 and Au147 clusters: Substrate effect (1992)
    Springer
    The European physical journal 24 (1992), S. 377-384 
    Details
    ISSN: 1434-6079
    Keywords: 36.40
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Structural fluctuation of Au55 and Au147 clusters with and without the substrate interaction are examined using model potentials and the transition state theory. It is shown that, for Au55 both with and without the substrate interaction, the cuboctahedral structure (COCT) has a lifetime too short to be observed with an electron microscope while the icosahedral structure (IC) has a lifetime long enough. On the other hand, for Au147 without the substrate interaction, both COCT and IC have lifetimes long enough but the lifetime of IC is too long for both of them to be observed in an observation period, say in several minutes. However, the lifetime is so much reduced by the substrate interaction that both the structures can be observed in an observation period. These results are compared with the experimental facts.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01426687
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Triangle contraction in six-membered-ring silicon clusters (1989)
    Springer
    The European physical journal 14 (1989), S. 237-245 
    Details
    ISSN: 1434-6079
    Keywords: 36.40 ; 31.20
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We propose the “triangle contraction” as an important reconstruction mechanism of six-membered-ring silicon clusters on the basis of the force and virial analysis for Si6, Si10, Si14, Si18, Si22, and Si26 clusters. Forces acting on atoms have been calculated using the local-density-functional scheme with linear-combination-of-atomic-orbitals-Xα method. Calculated forces show that most of the (111)-surface equilateral triangles have tendency to contract, indicating the generality of the triangle-contraction mechanism.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01437324
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Theory of the structural fluctuation of Au55 clusters (1991)
    Springer
    The European physical journal 20 (1991), S. 259-261 
    Details
    ISSN: 1434-6079
    Keywords: 36.40
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Stabilities and structural fluctuations of both neutral and charged Au55 clusters are examined and discussed in relation to recent experimental observations of small gold particles with an electron microscope. Transition probabilities between the icosahedral and cuboctahedral structures are calculated according to the transition state theory using a model potential consisting of attractive many-body, repulsive pairwise and Coulomb parts. It is shown that for a neutral cluster the cuboctahedral structure has too short life time to be observed around room temperature and that, on the other hand, for more than 6-fold multiply charged clusters, both structures have life times of the order of 0.1 s around room temperature and, therefore, the transition between them can be observed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543987
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    Paper (German National Licenses)
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