TITLE

The temperature dependence of diffracted beam intensities in atom–surface scattering

AUTHOR(S)
Jackson, Bret; Metiu, Horia
PUB. DATE
August 1985
SOURCE
Journal of Chemical Physics;8/15/1985, Vol. 83 Issue 4, p1952
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We develop a new method for the calculation of the atom scattering analog of the Debye–Waller factor. Unlike x-ray and neutron scattering the properties of an atom scattered by a solid surface cannot be computed by perturbation theory; therefore the simple Debye–Waller theory cannot be applied. Nevertheless the Debye–Waller phenomenon has a close analog: the elastic intensity is depressed due to the uncorrelated part of the thermal motion of the lattice atoms. To compute this effect we develop a time dependent scattering theory in which the quantum properties of the scattered atom are described by propagating coherently an ensemble of wave packets and lattice motion is simulated by a classical Langevin equation. Applications are made to He and Ne scattering from a surface whose lattice dynamics mimics that of Pt(111) but whose corrugation was slightly increased to enrich the diffraction structure.
ACCESSION #
7626650

 

Related Articles

  • Langevin approach to generate synthetic turbulent flows. Marti, A.C.; Sancho, J.M. // Physics of Fluids;Apr97, Vol. 9 Issue 4, p1078 

    Presents an analytical scheme to generate synthetic Gaussian turbulent flows by using a linear Langevin equation. Action of the noise term as a stochastic stirring force; Characteristic parameters of the velocity field; Diffusion of a passive scalar for two different energy spectra.

  • Mass–Energy Distribution of Fragments from the Fission of Excited Nuclei within Three-Dimensional Langevin Dynamics. Nadtochy, P. N.; Karpov, A. V.; Vanin, D. V.; Adeev, G. D. // Physics of Atomic Nuclei;May2001, Vol. 64 Issue 5, p861 

    Two-dimensional mass-energy distributions of fission fragments are calculated for the first time on the basis of three-dimensional stochastic Langevin equations. In these calculations, the emission of light prescission particles is taken into account within the statistical model. The results...

  • Entropy production and heat generation in computational processes. Fuchikami, Nobuko; Iwata, Hijiri; Ishioka, Shunya // AIP Conference Proceedings;2000, Vol. 511 Issue 1, p341 

    To make clear several issues relating with the thermodynamics of computations, we perform a simulation of a binary device using a Langevin equation. Based on our numerical results, we consider how to estimate thermodynamic entropy of computational devices. We then argue against the existence of...

  • Langevin approach to the Porto system. Bok, J.; Čápek, V. // AIP Conference Proceedings;2002, Vol. 643 Issue 1, p332 

    M. Porto (Phys. Rev. E 63 (2001) 030102) suggested a system consisting of Coulomb interacting particles, forming a linear track and a rotor, and working as a molecular motor. Newton equations with damping for the rotor coordinate on the track x, with a prescribed time-dependence of the rotor...

  • Dynamical correlations of two-dimensional vortex-like defects. Lebedev, V. V. // JETP Letters;11/25/99, Vol. 70 Issue 10, p691 

    High-order dynamical correlations of defects (quantum vortices, disclinations, etc.) in thin films are examined by starting from the Langevin equation for the defect motion. It is demonstrated that the dynamical correlation functions F[sub 2n] of the vorticity or disclinicity behave as F[sub...

  • A generalized Langevin model for turbulent flows. Haworth, D. C.; Pope, S. B. // Physics of Fluids (00319171);Feb86, Vol. 29 Issue 2, p387 

    A Langevin model appropriate to constant property turbulent flows is developed from the general equation for the fluid particle velocity increment proposed by Pope in an earlier paper [Phys. Fluids 26, 404 (1983)]. This model can be viewed as an analogy between the turbulent velocity of a fluid...

  • Cooperativity and stability in a Langevin model of proteinlike folding. Beerriz, Gabriel F.; Gutin, Alexander M. // Journal of Chemical Physics;6/8/1997, Vol. 106 Issue 22, p9276 

    Presents two simplified models of protein dynamics based on Langevin's equation of motion in a viscous medium. Effect of the potential energy function's symmetry on the kinetics and thermodynamics of simulated folding; Production of a modest degree of cooperativity by an isotropic potential...

  • Solution of the generalized Langevin equation. Toxvaerd, So\ren // Journal of Chemical Physics;6/15/1985, Vol. 82 Issue 12, p5658 

    The generalized Langevin equation is solved numerically by replacing the driving forces by stochastic, Gaussian distributed forces with a Gaussian time correlation. The calculated Brownian trajectories are compared with the corresponding classical mechanical and Monte Carlo trajectories and...

  • A dynamic simulation method suppressing uninteresting degrees of freedom. Romiszowski, Piotr; Yaris, Robert // Journal of Chemical Physics;5/15/1991, Vol. 94 Issue 10, p6751 

    In order to be able to simulate slow or infrequent motions which require extremely long (or sometimes impossibly long) simulations, a method of simulation using an equation of motion with the uninteresting degrees of freedom suppressed—the generalized Langevin equation—has been...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics