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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 12 (1990), S. 511-519 
    ISSN: 0392-6737
    Keywords: Kinetic and transport theory ; Computer simulation of static and dynamic behaviour ; Time-dependent properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Si presenta una teoria semplificata per il contributo delle collisioni ripetute alla funzione di memoria per il moto di singola particella nei liquidi ordinari e debolemente sottoraffreddati. Tale contributo spiega la forte dinminuzione del coefficiente di diffusione rispetto a quanto predetto da una teoria basata su collisioni binarie; tale effetto diventa sempre più grande raffreddando il sistema. I risultati si confrontano in modo quantitativamente soddisfacente con i valori ottenuti con simulazione (precedenti e nuove) per il rubidio liquido, sia vicino al punto triplo che in uno stato sottoraffreddato.
    Abstract: Резюме Мы обсуждаем упрощенный подход к части рестолкновения для функции памяти для собственного движения в обыкновенных и переохлажденных жидкостях. Эта часть объясняет эффект существенного уменьшения коэффициента диффузии по сравнению с бинарным предсказанием. Этот зффект становится больше и бльше при охлаждении системы. Количественные результаты удовлетворительно согласуются с предыдущими и новыми данными моделирования, которые были получены для модели жидкого рубидия вблизи тройной точки и в умеренно переохлажденных состояниях.
    Notes: Summary We discuss a simplified approach for the recollision part of the memory function for self-motion in ordinary and supercooled liquids. This part accounts for the substantial decrease of the diffusion coefficient with respect to the binary prediction, an effect which becomes larger and larger on cooling the system. The quantitative results compare satisfactorily with previous and new simulation data obtained for a liquid rubidium model both near the triple point and in moderately supercooled states.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 16 (1994), S. 817-824 
    ISSN: 0392-6737
    Keywords: Computer simulation of static and dynamic behavior ; Liquid metals and liquid alloys ; Conference proceedings
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Summary Results of extensive computer simulations performed in liquid water are reported in order to clarify the main features of dynamical density correlations in this system. Puzzling aspects, such as the anomalous sound wave propagation at finite wave vectors, are related to the peculiar structural aspects of this hydrogen-bonded liquid. Additional features (such as the evolution of the relevant memory functions at increasing wave vectors and the emergency of a second mode in the longitudinal current spectra) are also discussed in some detail.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 9012-9017 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The analysis of the density fluctuations in liquid H2S has been performed by applying a recently proposed theoretical method. Computer simulation results for the correlation functions and the corresponding spectra are reported and compared with the theoretical predictions. A discussion of the differences between the results obtained for H2S and H2O, at comparable thermodynamic states, is carried out. The nature of the interaction potential is invoked to explain the different behavior of the two systems, and the strong anisotropy of the H2O potential which mimics the effect of hydrogen bond is suggested to be the origin of the collective behavior of the density fluctuations propagating through the hydrogen atoms.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3278-3288 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We analyze the correlated motions of hydrogen bonded clusters in liquid hydrogen fluoride, methanol, and water using the Instantaneous Normal Mode approach. In the case of hydrogen fluoride and methanol, which form a topologically linear hydrogen bond network, the relevant cluster is a triplet formed by a molecule and its two neighbors. In the case of water, whose hydrogen bond structure has a local tetrahedral symmetry, the basic unit considered is the pentamer formed by a molecule and its four neighbors. For each of these clusters we identify, using symmetry arguments, the a priori modes describing the relative motions of the cluster molecules and introduce suitable projections in order to evaluate how much these modes contribute to the actual motions at different frequencies. In the case of hydrogen fluoride we confirm the assignment of a 50 rad/ps peak observed in the single and collective correlation function spectra to the stretching of the hydrogen bonded network. In the case of methanol the analysis of the correlated motions of the triplets shows that in the intermediate frequency range (around 25 rad/ps) a picture similar to what is observed in hydrogen fluoride applies, whereas the high frequency properties of the liquid (beyond 50 rad/ps) are mostly due to the asymmetric stretching motion. In the case of water we demonstrate that the a priori modes, based on the full tetrahedral symmetry of the water pentamer, do indeed mix strongly under the effect of the interaction with the neighbors. The results are related to the spectroscopic measurement. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 395-401 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The instantaneous normal modes for liquid methanol at 200 K are calculated and related to the topologically linear hydrogen bond network in this system. A shoulder observed in the spectra of both collective and single molecule correlation functions is explained as arising from the presence of "stretching" modes of the hydrogen bonded network, similarly to what happens in liquid hydrogen fluoride. In the case of methanol, however, the relation between the chain dynamics and the instantaneous normal modes is much less evident, due to the strongest "coupling" of the chain motion to other diffusive processes present in the liquid. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physics Letters A 64 (1978), S. 387-389 
    ISSN: 0375-9601
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physica A: Statistical Mechanics and its Applications 123 (1984), S. 516-534 
    ISSN: 0378-4371
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physica A: Statistical Mechanics and its Applications 102 (1980), S. 70-86 
    ISSN: 0378-4371
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physics Letters A 76 (1980), S. 223-225 
    ISSN: 0375-9601
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physics Letters A 84 (1981), S. 133-136 
    ISSN: 0375-9601
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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