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  • Theoretical, Physical and Computational Chemistry  (2)
  • Computational Chemistry and Molecular Modeling  (1)
  • generalized Langevin equations  (1)
Materialart
Erscheinungszeitraum
Schlagwörter
  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Journal of statistical physics 23 (1980), S. 539-559 
    ISSN: 1572-9613
    Schlagwort(e): Response function ; nonequilibrium thermodynamic Green's functions ; nonequilibrium statistical operator ; generalized Langevin equations ; photoexcited semiconductor plasma
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract A formalism to determine the response function of a sample in conditions far from thermal equilibrium is presented. It consists in a generalization of scattering theory coupled to the statistical theory of irreversible processes, the nonequilibrium statistical operator method, developed by Zubarev. The scattering cross section is expressed in terms of double-time correlation functions, which are related to appropriate nonequilibrium thermodynamic Green's functions. The latter are also used to treat generalized transport equations, and, as an illustration, the method is applied to the study of the time-resolved Raman spectroscopy of a photoexcited semiconductor plasma.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 65 (1997), S. 277-285 
    ISSN: 0020-7608
    Schlagwort(e): Chemistry ; Theoretical, Physical and Computational Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We briefly describe a nonclassical nonlinear thermodynamic theory with statistical foundations. This statistical approach is based on a generalization to arbitrary nonequilibrium conditions of the Gibbs ensemble algorithm, the so-called nonequilibrium statistical operator method, which can be considered to be encompassed within the scope of Jaynes' predictive statistical physics. This emerging formalism is used to provide a study of the technoindustrial process of thermal stereolithography (or infrared-laser-induced rapid prototyping). The experimental results are interpreted and the technical requirements fundamental for the success of the process are pointed out.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65: 277-285, 1997
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 66 (1998), S. 177-187 
    ISSN: 0020-7608
    Schlagwort(e): Chemistry ; Theoretical, Physical and Computational Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We present a mechanostatistical study of the so-called Fröhlich effect, namely nonthermal amplification of polar vibrations leading to complex behavior in biosystems, like biopolymers and large aggregates of macromolecules. Fröhlich condensation is considered to be of relevance for a certain class of biological processes, in particular in connection with the problem of long-range propagation of signals at physiological temperature. Resorting to a thermomechanical theory appropriate to deal with irreversible processes in systems far from equilibrium, earlier results are extended. We perform an analysis of the case when production of a double excitation of polar vibrations, generated by the action of an external pumping source of metabolic energy, is possible. It is shown that, when this is the case, the process involves a positive feedback mechanism that greatly facilitates and enhances the phenomenon of Fröhlich's condensation, and consequently the possible accompanying biological processes. The results are discussed and eventual connection with experimental observations pointed out.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66: 177-187, 1998
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 4
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 60 (1996), S. 689-697 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We consider the question of long-range propagation of informational signals in biosystems. This is done for the case of a modeled biosystem of the type considered by H. Fröhlich and A. S. Davydov but under general nonequilibrium thermodynamic conditions. For that purpose we resort to the so-called informational statistical thermodynamics. It is shown that Fröhlich's effect may follow in this system. It consists in the emergence of a self-organized dissipative homogeneous and stationary structure (in Prigogine's sense), resembling a nonequilibrium Bose-Einstein condensation in the low-lying-in-frequency modes of polar vibrations. It follows once a critical level of pumping of metabolic energy is achieved. Furthermore, it is shown that signals in this system propagate in the form of Davydov solitons, which are strongly thermally damped in near equilibrium at physiological conditions. However, the situation drastically changes in nonequilibrium conditions, leading to Fröhlich's condensation, when the lifetime of a Davydov-like soliton is enormously enhanced, allowing for very long range propagation of signals. © 1996 John Wiley & Sons, Inc.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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