Thermodynamically self-consistent theories of simple liquids. II. A perturbation scheme for systems with purely repulsive forces

1980 ◽  
Vol 58 (5) ◽  
pp. 713-717 ◽  
Author(s):  
Donald S. Hall ◽  
W. R. Conkie
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Distribution Function ◽  
The Self ◽  
Perturbation Scheme ◽  
Simple Liquids ◽  
Lennard Jones ◽  
Self Consistent ◽  
Repulsive Forces ◽  
Simple Systems

A parametrized perturbation scheme is derived for simple systems with purely repulsive forces. The parameter is chosen so that the pressure in the system found by differentiating the free energy is consistent with that found by integrating over the radial distribution function. Results of calculations for the equation of state of an inverse-12 fluid are presented and found to be in excellent agreement with Monte Carlo simulations. The use of the results of the self-consistent scheme as a reference system for the Lennard-Jones fluid is discussed.

Self-consistency in the interaction of magnetized electrons and ordinarily polarized electromagnetic waves

1993 ◽  
Vol 49 (1) ◽  
pp. 41-50
Author(s):  
F. B. Rizzato
Keyword(s):  
Free Energy ◽  
Electromagnetic Waves ◽  
Hamiltonian Formalism ◽  
Critical Value ◽  
Average Density ◽  
The Self ◽  
Dynamical Interaction ◽  
Wave Dynamics ◽  
Self Consistent ◽  
Self Consistency

We use a Hamiltonian formalism to analyse the self-consistent wave–particle dynamical interaction involving magnetized electrons and ordinarily polarized electromagnetic waves. Considering first-harmonic cyclotron resonances, we show that there is a critical value of the electronic average density. For systems with lower than critical densities the saturation process is dictated by relativistic detuning effects, and wave dynamics may be disregarded. However, for systems with larger densities, saturation is governed by the available electromagnetic free energy, and the wave dynamics turns out to be essential.

SPONTANEOUS FLUX AND FLUX TRAPPED IN MESOSCOPIC CYLINDERS

1995 ◽  
Vol 09 (02) ◽  
pp. 161-175 ◽  
Author(s):  
M. SZOPA ◽  
E. ZIPPER
Keyword(s):  
Free Energy ◽  
Fermi Surface ◽  
Magnetic Interaction ◽  
The Self ◽  
Persistent Currents ◽  
Flux Trapping ◽  
Self Consistent ◽  
Interacting Electrons ◽  
Clean Metal

Persistent currents in mesoscopic cylinders made of a very clean metal and with nearly flat Fermi surface are studied. It is shown that the inclusion of the orbital magnetic interaction between electrons can lead to spontaneous currents (spontaneous fluxes) and to flux trapping if the number of interacting electrons is large enough. The free energy of the cylinder is discussed and the self-consistent formulas for the quantized flux in the cylinder is derived. It is argued that the properties of such mesoscopic cylinders are to some extent similar to the properties of superconducting samples.

Monte Carlo Simulation of Diffusion with Uniform Sinks and Sources for Vacancies

2005 ◽  
Vol 237-240 ◽  
pp. 1168-1173 ◽  
Author(s):  
Jaroslav Ženíšek ◽  
Jiří Svoboda ◽  
Franz Dieter Fischer
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Model ◽  
Kirkendall Effect ◽  
The Self ◽  
The Other ◽  
Other Hand ◽  
Self Consistent

A new concept of generation and annihilation of vacancies at uniform sinks and sources for vacancies is incorporated into the standard Monte Carlo model for vacancy mediated diffusion. This model enables to treat the vacancy wind as well as the deformation of the specimen and the shift of the Kirkendall plane. The Monte Carlo model is used for the testing of the recent phenomenological theories of diffusion by Darken, Manning and Moleko. The agreement with the self-consistent Moleko theory is excellent. On the other hand the agreement with the classical Darken theory used very often for the explanation of the Kirkendall effect is rather poor.

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