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  • 2000-2004  (1,396)
  • 1935-1939  (9)
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  • 1
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 327-328 (Jan. 2000), p. 55-62 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Pure and applied geophysics 157 (2000), S. 1905-1928 
    ISSN: 1420-9136
    Keywords: Key Words: Numerical simulation, discrete element method, lattice model, rock failure, earthquake process.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract —On the basis of the lattice model of Mora and Place, Discrete Element Method, and Molecular Dynamics approach, another kind of numerical model is developed. The model consists of a 2-D set of particles linked by three kinds of interactions and arranged into triangular lattice. After the fracture criterion and rules of changes between linking states are given, the particle positions, velocities and accelerations at every time step are calculated using a finite-difference scheme, and the configuration of particles can be gained step by step. Using this model, realistic fracture simulations of brittle solid (especially under pressure) and simulation of earthquake dynamics are made.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Pure and applied geophysics 157 (2000), S. 1945-1957 
    ISSN: 1420-9136
    Keywords: Key Words: Evolution-induced catastrophe, sample-specificity, stress fluctuations, earthquake prediction, predictability.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstrac —Both earthquake prediction and failure prediction of disordered brittle media are difficult and complicated problems and they might have something in common. In order to search for clues for earthquake prediction, the common features of failure in a simple nonlinear dynamical model resembling disordered brittle media are examined. It is found that the failure manifests evolution-induced catastrophe (EIC), i.e., the abrupt transition from globally stable (GS) accumulation of damage to catastrophic failure. A distinct feature is the significant uncertainty of catastrophe, called sample-specificity. Consequently, it is impossible to make a deterministic prediction macroscopically. This is similar to the question of predictability of earthquakes. However, our model shows that strong stress fluctuations may be an immediate precursor of catastrophic failure statistically. This might provide clues for earthquake forecasting.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Pure and applied geophysics 157 (2000), S. 1929-1943 
    ISSN: 1420-9136
    Keywords: Key Words: Heterogeneous medium, rupture, statistical mesoscopic damage mechanics, dynamic function of damage, damage localization.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract —Based on the concepts of statistical mesoscopic damage mechanics, the rupture of a heterogeneous medium is investigated in terms of numerical simulations of a network model, subjected to simple shear loading. The heterogeneities are simulated by varying the sizes and fracture strains of the elements of the network. Progressive damage is governed by a damage field equation and a dynamic function of damage (DFD). From the damage field equation, a criterion for damage localization can be derived, and the DFD can be extracted from the simulations of the network. Importantly, the DFD intrinsically governs the damage localization. Both stress-free and periodic boundary conditions for the network are examined. It is found that damage localization may be the underlying mechanism of eventual rupture and thus could be used as a possible precursor of earthquake rupture.
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Marine biology 137 (2000), S. 567-575 
    ISSN: 1432-1793
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract  The accumulation and depuration of Cs in the green mussels (Perna viridis) commonly found in the subtropical and tropical waters were studied under the laboratory conditions using radiotracer techniques. Following an initial rapid sorption onto the mussel's tissues, uptake of Cs exhibited linear patterns over a short exposure time (8 h) at different ambient Cs concentrations. The concentration factor was independent of ambient Cs concentration. The calculated uptake rate and initial sorption constant of Cs were directly proportional to the ambient Cs concentration. The calculated uptake rate constant from the dissolved phase in the mussels was as low as 0.026 l g−1 d−1. Uptake rates of Cs in the mussels were inversely related to the ambient salinity. Uptake increased about twofold when the salinity was reduced from 33 to 15 ppt. The effect of salinity on Cs uptake was primarily due to the change in ambient K+ concentration. The uptake rate decreased in a power function with increasing tissue dry weight of the mussels, although the initial sorption was not related to the mussel's body size. The efflux rate constant of Cs in the mussels was 0.15 to 0.18 d−1, and was the highest recorded to date among different metals in marine bivalves. The efflux rate constant also decreased in a power function with increasing tissue dry weight of mussels. A simple kinetic model predicted that the bioconcentration factor of Cs in the green mussels was 145, which was higher than measurements taken in their temperate counterparts. The bioconcentration factor also decreased in a power function with increasing tissue dry weight of mussels.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 3220-3226 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dynamics of electron tunneling through water layers embedded between two metal plates is studied by electron wave-packet simulations. The tunneling flux is shown to increase by orders of magnitude due to resonances when the thermal motion of the water nuclei is "frozen" and transient molecular nanocavities dominate the tunneling mechanism. This enhancement is observed even when the energy width of the wave-packet is larger than the resonance width, and the transmission probability does not show resonance peaks as a function of the impact electron energy. The wave-packet simulations are based on a parallel solution of the multidimensional time-dependent Schrödinger equation, in which the N-dimensional Hilbert space is distributed into subspaces associated with an N-dimensional hypercube of processors. The propagated wave function is fully distributed at all times and the computation rate can increase linearly with the number of processors. The significant advantage of the present algorithm over serial algorithms is in the ability to increase the size of the propagated wave-functions without increasing the computation time by adding more processors. © 2000 American Institute of Physics.
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 1010-1016 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new theoretical approach to two-photon transition intensities at the multiconfigurational self-consistent field (MCSCF) level of theory, is described in detail. The fundamental property of an MCSCF wave function, that it is possible to define the response equations for an excited state, is a prerequisite. The method requires solely first-order multiconfigurational response calculations, because the equations involve the response of both the initial and final state. However, the method is approximate as the coupling between the +ω and −ω parts of the linear response is disregarded. The complete active space state interaction (CASSI) method is applied in the evaluation of the involved matrix elements. To illustrate the performance and the requirements of this method, it was used to determine TP transitions in trans-1,3-butadiene and trans-stilbene. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 10651-10661 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Exact three-dimensional time-dependent wave packet calculation for ozone photodissociation in the Hartley band has been carried out for total angular momentum J=0. Fully converged absorption spectrum, autocorrelation function, and O2(a 1Δg) photofragment rovibrational state distributions over wide range of wavelengths are obtained using the Sheppard–Walker potential energy surface (PES). Excellent agreements as well as some deviations have been found in comparison to the various experimental results. From these successes and failings, the ways for further improving the PES have been suggested, and the dynamics has been discussed in some detail in conjunction with time-dependent pictures of the wave packet. © 2001 American Institute of Physics.
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 7182-7187 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The quantum dynamics of the Cl+D2 reaction has been studied by means of time-dependent quantum wave packet calculations on the G3 and BW2 potential energy surfaces. Initial state-specific total reaction probabilities and integral cross sections are calculated, and the thermal rate constant is obtained. On the G3 surface, the effect of the reagent's rotational excitation on the reactivity is negative, while on the BW2 surface, the rotation of reagent has positive effect on the reactivity. Comparison of the thermal rate constants on the G3 and BW2 surfaces with experimental measurement is shown. © 2000 American Institute of Physics.
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 3710-3716 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The angular momentum polarization of the products of the reaction Cl(2P3/2)+CD4(v=0,j=0)→DCl(v′=0,j′=1)+CD3 is calculated via the quasiclassical trajectory method (QCT) based on extended London–Eyring–Polanyi–Sato (LEPS) potential energy surface (PES) at a collision energy of 0.28 eV (6.46 kcal/mol). In the stationary target frame (STF), the rotational alignment factor A0(2)stf has been calculated. In the meantime, we also present four polarization dependent "generalized" differential cross sections (PDDCS) (2π/σ)(dσ00/dωt), (2π/σ)(dσ20/dωt), (2π/σ)(dσ22+/dωt), and (2π/σ)(dσ21−/dωt) in the center of mass frame. Furthermore, the distribution of dihedral angle P(φr), the distribution of angle between k′ and J′, P(θtr), and the angular distribution of product rotational vectors in the form of polar plots in θr and φr are calculated as well. The calculated results are in good agreement with the experimental data. © 2000 American Institute of Physics.
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