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  • Elsevier  (140)
  • American Institute of Physics (AIP)  (16)
  • 1985-1989  (93)
  • 1980-1984  (63)
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 5651-5656 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present here prototype studies of the effects of quantum mechanics on the melting of clusters. Using equilibrium path integral methods, we examine the melting transition for small rare gas clusters. Argon and neon clusters are considered. We find the quantum-mechanical effects on the melting and coexistence properties of small neon clusters to be appreciable.
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 1681-1694 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Grassberger–Procaccia method has been employed to study the transitions which occur as a classical Ar3 cluster, modeled by pairwise Lennard-Jones potentials, passes from a rigid, solid-like form to a nonrigid, liquid-like form with increasing energy. Power spectra and lower bounds on the fractal dimensions and K entropies are presented at several energies along the caloric curve for the Ar3 cluster. In addition, the full spectrum of Liapunov exponents has been computed at these same energies to get an accurate value of the K entropy. Chaotic behavior, though relatively small, is observed even at low energies where the power spectrum displays largely normal-mode structure. The degree of chaotic behavior increases with energy at energies where some degree of regularity is observed in the spectrum. However, at energies that just allow the system to pass into and across saddle regions separating local potential minima, the phase space appears to be separable into a region within the equilateral triangle potential well where the behavior is highly chaotic, and a region of lower dimensions and less chaos around the saddle of the linear configuration. Dimensions from approximately three to eight are observed. A clear separability of time scales for establishment of different extents of ergodicity permits the determination of fractal dimensions of the manifold on which the phase points moves, for time scales of physical, i.e., observable significance. We believe this to be the first evaluation of the dimensionality of the space on which the phase point moves, for a Hamiltonian system displaying this range of dimensions.
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 3181-3191 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A method is presented for determining the stationary phase points for multidimensional path integrals employed in the calculation of finite-temperature quantum time correlation functions. The method can be used to locate stationary paths at any physical time; in the case that t(very-much-greater-than)β(h-dash-bar), the stationary points are the classical paths linking two points in configuration space. Both steepest descent and simulated annealing procedures are utilized to search for extrema in the action functional. Only the first derivatives of the action functional are required. Examples are presented first of the harmonic oscillator for which the analytical solution is known, and then for anharmonic systems, where multiple stationary phase points exist. Suggestions for Monte Carlo sampling strategies utilizing the stationary points are made. The existence of many and closely spaced stationary paths as well as caustics presents no special problems. The method is applicable to a range of problems involving functional integration, where optimal paths linking two end points are desired.
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5753-5763 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a numerically exact procedure for the calculation of an important class of finite temperature quantum mechanical time correlation functions. The present approach is based around the stationary phase Monte Carlo (SPMC) method, a general mathematical tool for the calculation of high dimensional averages of oscillatory integrands. In the present context the method makes possible the direct numerical path integral calculation of real-time quantum dynamical quantities for times appreciably greater than the thermal time (β(h-dash-bar)). Illustrative applications involving finite temperature anharmonic motion are presented. Issues of importance with respect to future applications are identified and discussed.
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  • 5
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 51 (1987), S. 1983-1985 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In this letter we report the successful combination of a low-loss buried waveguide providing two-dimensional optical confinement with an active gain medium. We have thereby realized a planar and monolithic composite cavity laser where the laser cavity consists of distinct regions of optical gain combined with distinct regions of low-loss optical waveguide. The low threshold currents of these strucures (〈10 mA) confirm the low loss and waveguiding nature of the waveguide regions. The ability to make these types of structures has applications for window lasers, monolithic waveguides, and monolithic integration of electrical and optical components.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 65 (1989), S. 2021-2023 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Optically and thermally stimulated luminescence in CaS:Ce,Sm have been studied. Subsequent to exposure to ionizing radiation, this material can be optically stimulated by infrared laser sources such as an InGaAsP (1.20 μm) laser and a Nd:YAG (1.06 μm) laser. The resulting optically stimulated luminescence is the characteristic Ce3+ doublet emission. This material has a deep trap with a ∼330 °C thermoluminescence peak. However, the thermal stimulation results in both Sm3+ and Ce3+ characteristic emissions. It appears that charge compensation in the form of additional sulfur ions in the interstitials is possible in CaS:Ce,Sm and the charge motion between the Ce3+ ions at different symmetry sites results in Ce3+ emissions from the 330 °C peak.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : American Institute of Physics (AIP)
    Physics of Fluids 1 (1989), S. 285-288 
    ISSN: 1089-7666
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The flow behind the shock wave produced when a freely expanding gas strikes a rigid wall is studied. The shock speed is known within an early stage after the shock onset, when the flow is self-similar and, also, as is pointed out, when the shock decays into a sonic disturbance, propagating in an almost uniform gas. On this basis, an approximate differential equation can be written for the shock position, whose solution is analytic, and therefore, the flow magnitudes are given by simple relationships. Comparison with numerical simulations shows that the flow is well described by this approximation. This work also includes a brief review of the equations for the self-similar regime, because corrections to previously published results were found necessary.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : American Institute of Physics (AIP)
    Physics of Fluids 1 (1989), S. 1426-1429 
    ISSN: 1089-7666
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The sequence of shock and rarefaction waves, which occur in a plane layer of ideal gas initially at rest when it is driven toward the vacuum by a very high constant pressure piston, is studied. In the rarefaction flow that relaxes the layer compressed by the first strong shock, a second shock is generated. The time and position of its formation are obtained by an exact analytical expression. The subsequent motion and intensity of the shock wave are approximated by the Chester–Chisnell–Whitham (CCW) method. Then, the Lagrangian distribution of entropy in the layer is analytically derived.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Physics of Fluids 29 (1986), S. 676-679 
    ISSN: 1089-7666
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In the collapse of a spherical cavity surrounded by a perfect gas initially at rest, the velocity R(overdot) of the free gas boundary has an initial valve of −2c0/(γ−1) (c0 is the speed of sound in the undisturbed gas and γ is the adiabatic exponent). Hereafter R(overdot) remains practically constant until R becomes a certain fraction ξ(γ) of the initial radius R0. Finally, for R〈ξR0, R(overdot) approaches the asymptotic behavior R(overdot)∼R−τ(γ) predicted by self-similar solutions. The function ξ(γ), which has been obtained numerically, decreases as γ decreases and vanishes for a certain value of γ near 1.5. This fact, together with the analogous behavior of τ(γ), suggests that there exists a certain value γcr≈1.5 of the adiabatic exponent such that, for 1〈γ〈γcr the velocity R(overdot) of the free boundary is strictly a constant during the entire collapse. This behavior seems to be closely related to the results obtained by Lazarus [Phys. Fluids 25, 1146 (1982)] who demonstrates that a degenerate stable, asymptotic solution, with R(overdot)=const, exists for γ〈3/2.
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 3910-3922 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Extensive classical simulations of the melting–freezing transition of small clusters (N=7–33) of rare gas atoms have been performed in which quenching by steepest descent has been coupled to isoergic molecular dynamics. A mechanistic description of the phase change is given in terms of the local potential minima accessed in the transition region and the isomerization pathways for and the frequencies of interwell passages. All of the small clusters, at energies low in the transition range of energy, exhibit some separation (by factors of approximately 5 to 60) of the short time scale for motions about the various potential minima and the longer time scale separating interwell passages. The onset of diffusion is marked by passages over saddles linking the minima. Fully liquid-like behavior is observed for all the clusters when the time scale separation for the motions no longer exists. The coexistence and magic number phenomena observed in previous simulations are explained in terms of the kinds of potential minima on the surface and the accessibility of one from another. The existence of a potential energy minimum very low relative to the nearest accessible, high-lying minima as well as time scale separation are necessary conditions for the observation of the kind of coexistence of liquid-like and solid-like forms over a well-defined energy or temperature range predicted by a quantum statistical model and observed, e.g., in isoergic and isothermal simulations of the Ar13 cluster. Such conditions are met in some but not all clusters. Structures with underlying pentagonal, and especially icosahedral, symmetry are important for clusters in the size range N=7–33, not only in previously recognized cases; defective icosahedral structures occur among the lower-energy minima even for some clusters for which they had not been considered.
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