7,918 research outputs found

    The projection of a nonlocal mechanical system onto the irreversible generalized Langevin equation, II: Numerical simulations

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    The irreversible generalized Langevin equation (iGLE) contains a nonstationary friction kernel that in certain limits reduces to the GLE with space-dependent friction. For more general forms of the friction kernel, the iGLE was previously shown to be the projection of a mechanical system with a time-dependent Hamiltonian. [R. Hernandez, J. Chem. Phys. 110, 7701 (1999)] In the present work, the corresponding open Hamiltonian system is further explored. Numerical simulations of this mechanical system illustrate that the time dependence of the observed total energy and the correlations of the solvent force are in precise agreement with the projected iGLE.Comment: 8 pages, 9 figures, submitted to J. Chem. Phy

    Chemical propulsion research at MSFC

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    Chemical propulsion research reviews at Marshall Space Flight Cente

    Two-dimensional colloidal fluids exhibiting pattern formation

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    Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures. We develop a lattice-gas (generalised Ising) model and analyse the phase diagram using Monte Carlo computer simulations and also with density functional theory (DFT). The DFT predictions for the structures formed are in good agreement with the results from the simulations, which occur in the portion of the phase diagram where the theory predicts the uniform fluid to be linearly unstable. However, the mean-field DFT does not correctly describe the transitions between the different morphologies, which the simulations show to be analogous to micelle formation. We determine how the heat capacity varies as the model parameters are changed. There are peaks in the heat capacity at state points where the morphology changes occur. We also map the lattice model onto a continuum DFT that facilitates a simplification of the stability analysis of the uniform fluid.Comment: 13 pages, 15 figure

    Isomorphic classical molecular dynamics model for an excess electron in a supercritical fluid

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    Ring polymer molecular dynamics (RPMD) is used to directly simulate the dynamics of an excess electron in a supercritical fluid over a broad range of densities. The accuracy of the RPMD model is tested against numerically exact path integral statistics through the use of analytical continuation techniques. At low fluid densities, the RPMD model substantially underestimates the contribution of delocalized states to the dynamics of the excess electron. However, with increasing solvent density, the RPMD model improves, nearly satisfying analytical continuation constraints at densities approaching those of typical liquids. In the high density regime, quantum dispersion substantially decreases the self-diffusion of the solvated electron. In this regime where the dynamics of the electron is strongly coupled to the dynamics of the atoms in the fluid, trajectories that can reveal diffusive motion of the electron are long in comparison to β\beta\hbar.Comment: 24 pages, 4 figure

    cr sn: the significance of macroconidiation for mutant hunts

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    cr sn: significance of macroconidiation for mutant hunt

    Network synchronization of groups

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    In this paper we study synchronized motions in complex networks in which there are distinct groups of nodes where the dynamical systems on each node within a group are the same but are different for nodes in different groups. Both continuous time and discrete time systems are considered. We initially focus on the case where two groups are present and the network has bipartite topology (i.e., links exist between nodes in different groups but not between nodes in the same group). We also show that group synchronous motions are compatible with more general network topologies, where there are also connections within the groups

    Book Reviews

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    The New Class War: Reagan\u27s Attack On The Welfare State and Its Consequences by Francis Fox Piven and Richard A. Cloward. Reviewed by SAMUEL R. FRIEDMAN Social Service Politics In the United States and Britain by Willard C. Richan. Reviewed by GARY P. FREEMAN Mothers At Work: Public Policies In the United States. Sweden and China by Carolyn Teich Adams and Kathryn Teich Winston. Reviewed by SUSAN MEYERS CHANDLE

    Quantum Electrodynamics at Large Distances II: Nature of the Dominant Singularities

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    Accurate calculations of macroscopic and mesoscopic properties in quantum electrodynamics require careful treatment of infrared divergences: standard treatments introduce spurious large-distances effects. A method for computing these properties was developed in a companion paper. That method depends upon a result obtained here about the nature of the singularities that produce the dominant large-distance behaviour. If all particles in a quantum field theory have non-zero mass then the Landau-Nakanishi diagrams give strong conditions on the singularities of the scattering functions. These conditions are severely weakened in quantum electrodynamics by effects of points where photon momenta vanish. A new kind of Landau-Nakanishi diagram is developed here. It is geared specifically to the pole-decomposition functions that dominate the macroscopic behaviour in quantum electrodynamics, and leads to strong results for these functions at points where photon momenta vanish.Comment: 40 pages, 11 encapsulated postscript figures, latexed, math_macros.tex can be found on Archive. full postscript available from http://theorl.lbl.gov/www/theorgroup/papers/35972.p
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