S. Manzi

Analysis of the convergence of the 1/t and Wang-Landau algorithms in the calculation of multidimensional integrals.

In this Brief Report, the convergence of the 1t and Wang-Landau algorithms in the calculation of multidimensional numerical integrals is analyzed. Both simulation methods are applied to a wide variety of integrals without restrictions in one, two, and higher dimensions. The efficiency and accuracy of both algorithms are determined by the dynamical behavior of the errors between the exact and the calculated values of the integral. It is observed that the time dependence of the error calculated with the 1t algorithm varies as N;{-12} [with N the number of Monte Carlo (MC) trials], in quantitative agreement with the simple sampling Monte Carlo method. In contrast, the error calculated with the Wang-Landau algorithm saturates in time, evidencing the nonconvergence of this method. The sources of error for both methods are also determined.

Dimer kinetics in a one-dimensional lattice

Abstract The kinetics of dimer molecules in a one-dimensional lattice is formulated in the framework of the kinetic lattice gas model. Local evolution rules are used to obtain the hierarchy of equations of motion for correlation functions where processes like adsorption, desorption and surface diffusion are included. By use of mean-field (m,n) closures, that allow the truncation of the infinite set of coupled differential equations of motion, we obtain the equilibrium properties and the time evolution of the adsorbate as well as the desorption kinetics. The temperature-programmed desorption (TPD) spectra for mobile and immobile adsorbates are obtained as limiting cases. The effect of the diffusion on TPD is also analyzed.

Influence of Potential Shape on Constant-Force Atomic-Scale Sliding Friction Models

The majority of atomic-scale friction models in which sliding is proposed to occur over the atomic-scale energy corrugation at the sliding interface assume a simple sinusoidal potential. An analysis of these models shows that the energy barrier is reduced by the imposition of an external force F, becoming zero at a critical force defined as F*. It was first suggested by Prandtl that the energy barrier approaches a limiting value with a force dependence that is proportional to

Kinetic Monte Carlo theory of sliding friction

\left( {F^{*} - F} \right)^{{{\raise0.7ex\hbox{

Monte Carlo Simulations for Tomlinson Sliding Models for Non-Sinusoidal Periodic Potentials

3

Remaining coverage in associative desorption process

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Temperature Dependences in the Tomlinson/Prandtl Model for Atomic Sliding Friction

2

Non-interacting dimer kinetics in hypercubic lattices

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