TITLE

A Monte Carlo (N, V, T) study of the stability of charged interfaces: A simulation on a hypersphere

AUTHOR(S)
Delville, A.; Pellenq, R.J.-M.; Caillol, J.M.
PUB. DATE
May 1997
SOURCE
Journal of Chemical Physics;5/1/1997, Vol. 106 Issue 17, p7275
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Reports on the use of an exact expression of the Coulombic interactions derived on a hypersphere of an Euclidian space of dimension four to determine the swelling behavior of two infinite charged plates neutralized by exchangeable counterions. Monte Carlo simulations in the ensemble; Efficiency of the hyperspherical approach.
ACCESSION #
4298957

 

Related Articles

  • The solution of the Schrödinger equation in imaginary time by Green’s function Monte Carlo. The rigorous sampling of the attractive Coulomb singularity. Skinner, Douglas W.; Moskowitz, Jules W.; Lee, Michael A.; Whitlock, Paula A.; Schmidt, K. E. // Journal of Chemical Physics;11/1/1985, Vol. 83 Issue 9, p4668 

    We present a new Green’s function Monte Carlo method for solving for the ground state of the Schrödinger equation. Unlike the commonly used short time approximation this method has no time step error. We formulate the method so that the attractive Coulomb singularities are isolated and...

  • Rapid calculation of the Coulomb component of the stress tensor for three-dimensional systems with two-dimensional periodicity. Kawata, Masaaki; Mikami, Masuhiro; Nagashima, Umpei // Journal of Chemical Physics;Sep2001, Vol. 115 Issue 10 

    Computationally efficient formulas were developed for calculating the Coulomb component of the stress tensor in Ewald summations for three-dimensional systems with two-dimensional periodicity. The computational efficiency and accuracy of the formulas were compared with existing computational...

  • Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids. Brooks, Charles L.; Pettitt, B. Montgomery; Karplus, Martin // Journal of Chemical Physics;12/1/1985, Vol. 83 Issue 11, p5897 

    The effects of Coulomb potential truncation schemes used in computer simulations of ionic and polar fluids are examined by use of integral equation techniques. A renormalized HNC type equation capable of describing both ionic and polar molecular fluids with truncated interactions is derived and...

  • Coil to rod transitions in Monte Carlo simulations of a short polyelectrolyte. I. New thermal and screening effects. Brender, Chava // Journal of Chemical Physics;4/1/1990, Vol. 92 Issue 7, p4468 

    A Monte Carlo simulation of a single short polyelectrolyte chain immersed in a dielectric continuum solvent with screened Coulombic interactions is described. Two main effects are involved in the coil→rod conformational transitions that have been observed when the temperature is...

  • Controllability of ferromagnetism in graphene. Tianxing Ma; Feiming Hu; Zhongbing Huang; Hai-Qing Lin // Applied Physics Letters;9/13/2010, Vol. 97 Issue 11, p112504 

    We systematically study magnetic correlations in graphene within Hubbard model on a honeycomb lattice by using quantum Monte Carlo simulations. In the filling region below the Van Hove singularity, the system shows a short-range ferromagnetic correlation, which is slightly strengthened by the...

  • Coulomb interaction among transporting charge carriers confined in two dimensions. Buh, G. H.; Park, Ji-Yong; Kuk, Young // Journal of Applied Physics;Oct2008, Vol. 104 Issue 8, p083716 

    The time evolution of trapped charge carriers in an oxide layer as in a charge-trap nonvolatile memory was studied experimentally with electrostatic force microscopy and Monte Carlo simulation based on Smoluchowski equation for a localized charge system. Experimental results show non-Fickian...

  • Calculation of the Coulomb potential between spherical-deformed and deformed-deformed nuclei using the Monte Carlo method. Ghodsi, O. N.; Ariai, J. // European Physical Journal A -- Hadrons & Nuclei;Jul2007, Vol. 33 Issue 1, p65 

    The Coulomb potential between spherical-deformed and deformed-deformed nuclei has been calculated using the Monte Carlo simulation. The results obtained for the Coulomb potential in the 16O$ + $238U and 27Al$ + $70Ge reactions are in good agreement with those obtained using the double-folding...

  • Multilevel Evaluation of Coulomb Lattice Sums of Charge Systems. Suwan, I.; Brandt, A.; Ilyin, V. // Journal of Mathematics & Statistics;2012, Vol. 8 Issue 3, p361 

    Problem statement: Due to the long range nature of interactions of the N-body systems, 2 direct computation of the Coulomb potential energy involves O(N²) operations. To decrease such complexity, a simple Multilevel Summation method has been developed. Approach: In the frame of the Multilevel...

  • Distribution of the coulomb microfield inside an ion cluster. Mayorov, S.; Shcherbakov, A. // Plasma Physics Reports;Dec2010, Vol. 36 Issue 13, p1103 

    The microfield distribution function in clusters is investigated numerically by the molecular dynamics and Monte Carlo methods. The results obtained are compared with the microfield distribution in an unbounded plasma. The calculated distributions are shown to have the same asymptotic forms. The...

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