38,799 research outputs found

    Fourier Path Integral Monte Carlo Method for the Calculation of the Microcanonical Density of States

    Full text link
    Using a Hubbard-Stratonovich transformation coupled with Fourier path integral methods, expressions are derived for the numerical evaluation of the microcanonical density of states for quantum particles obeying Boltzmann statistics. A numerical algorithmis suggested to evaluate the quantum density of states and illustrated on a one-dimensional model system.Comment: Journal of Chemical Physic

    Locating transition states using double-ended classical trajectories

    Get PDF
    In this paper we present a method for locating transition states and higher-order saddles on potential energy surfaces using double-ended classical trajectories. We then apply this method to 7- and 8-atom Lennard-Jones clusters, finding one previously unreported transition state for the 7-atom cluster and two for the 8-atom cluster.Comment: Journal of Chemical Physics, 13 page

    Taming the rugged landscape: production, reordering, and stabilization of selected cluster inherent structures in the X_(13-n)Y_n system

    Get PDF
    We present studies of the potential energy landscape of selected binary Lennard-Jones thirteen atom clusters. The effect of adding selected impurity atoms to a homogeneous cluster is explored. We analyze the energy landscapes of the studied systems using disconnectivity graphs. The required inherent structures and transition states for the construction of disconnectivity graphs are found by combination of conjugate gradient and eigenvector-following methods. We show that it is possible to controllably induce new structures as well as reorder and stabilize existing structures that are characteristic of higher-lying minima. Moreover, it is shown that the selected structures can have experimentally relevant lifetimes.Comment: 12 pages, 14 figures, submitted to J. Chem. Phys. Reasons for replacing a paper: figures 2, 3, 7 and 11 did not show up correctl

    Offshore rectenna feasbility

    Get PDF
    A preliminary study of the feasibility and cost of an offshore rectenna to serve the upper metropolitan east coast was performed. A candidate site at which to build a 5 GW rectenna was selected on the basis of proximity to load centers, avoidance of shipping lanes, sea floor terrain, and relocated conditions. Several types of support structures were selected for study based initially on the reference system rectenna concept of a wire mesh ground screen and dipoles each with its own rectifier and filter circuits. Possible secondary uses of an offshore rectenna were examined and are evaluated

    A computer model of solar panel-plasma interactions

    Get PDF
    High power solar arrays for satellite power systems are presently being planned with dimensions of kilometers, and with tens of kilovolts distributed over their surface. Such systems face many plasma interaction problems, such as power leakage to the plasma, particle focusing, and anomalous arcing. These effects cannot be adequately modeled without detailed knowledge of the plasma sheath structure and space charge effects. Laboratory studies of 1 by 10 meter solar array in a simulated low Earth orbit plasma are discussed. The plasma screening process is discussed, program theory is outlined, and a series of calibration models is presented. These models are designed to demonstrate that PANEL is capable of accurate self consistant space charge calculations. Such models include PANEL predictions for the Child-Langmuir diode problem

    Magnetization of La(2-x)Sr(x)NiO(4+ delta) (0 < x < 0.5) and observation of novel memory effects

    Full text link
    We have studied the magnetization of a series of spin-charge ordered La(2-x)Sr(x)NiO(4+delta) single crystals with 0 < x < 0.5. For fields applied parallel to the ab plane there is a large irreversibility below a temperature T(F1) ~ 50 K and a smaller irreversibility that persists up to near the charge ordering temperature. We observed a novel memory effect in the thermo-remnant magnetization across the entire doping range. We found that these materials retain a memory of the temperature at which an external field was removed, and that there is a pronounced increase in the thermo-remnant magnetization when the system is warmed through a spin reorientation transition.Comment: 11 pages, 12 figure
    corecore