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The stress tensor of an atomistic system

100%
Open Physics
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2012
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vol. 10
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issue 3
552-559
EN
We prove that the stress tensor conservation equation expressing the local equilibrium condition of a body results from the invariance of its partition function under canonical point transformations. From this result the expression of the stress tensor of a general atomistic system (with short range interactions) in terms of its microscopic degrees of freedom can be obtained. The derivation, which can be extended to encompass the quantum mechanical case, works in the canonical as well as the micro-canonical ensemble and is valid for systems endowed with arbitrary boundary conditions. As an interesting by-product of our general approach, we are able to positively answer the old question concerning the uniqueness of the stress tensor expression.
2
100%
Open Physics
|
2012
|
vol. 10
|
issue 1
86-95
EN
Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier’s principle of thermodynamics to a particular phase transition in TiHx, which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H+ ions and of the distance between adjacent H+ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H+ ions (‘collective modes’) increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H+ ions with collective modes makes a tiny suprathermal fraction of the H+ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.
EN
The spatio-temporal dynamics of three interacting species, two preys and one predator, in the presence of two different kinds of noise sources is studied, by using Lotka-Volterra equations. A correlated dichotomous noise acts on the interaction parameter between the two preys, and a multiplicative white noise affects directly the dynamics of the three species. After analyzing the time behaviour of the three species in a single site, we consider a two-dimensional spatial domain, applying a mean field approach and obtaining the time behaviour of the first and second order moments for different multiplicative noise intensities. We find noise-induced oscillations of the three species with an anticorrelated behaviour of the two preys. Finally, we compare our results with those obtained by using a coupled map lattice (CML) model, finding a good qualitative agreement. However, some quantitative discrepancies appear, that can be explained as follows: i) different stationary values occur in the two approaches; ii) in the mean field formalism the interaction between sites is extended to the whole spatial domain, conversely in the CML model the species interaction is restricted to the nearest neighbors; iii) the dynamics of the CML model is faster since an unitary time step is considered.
EN
On the basis of statistical mechanics of the Q-Ising model, we formulate the Bayesian inference to the problem of inverse halftoning, which is the inverse process of representing gray-scales in images by means of black and white dots. Using Monte Carlo simulations, we investigate statistical properties of the inverse process, especially, we reveal the condition of the Bayes-optimal solution for which the mean-square error takes its minimum. The numerical result is qualitatively confirmed by analysis of the infinite-range model. As demonstrations of our approach, we apply the method to retrieve a grayscale image, such as standard image Lena, from the halftoned version. We find that the Bayes-optimal solution gives a fine restored grayscale image which is very close to the original. In addition, based on statistical mechanics of the Q-Ising model, we are sucessful in constructing a practically useful method of inverse halftoning using the Bethe approximation.
Open Physics
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2004
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vol. 2
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issue 4
698-708
EN
Using the methods of statistical mechanics we have shown that a homogeneous water network is unstable and spontaneously disintegrates to the nonhomogeneous state (i.e. peculiar clusters), which can be treated as an ordinary state of liquid water. The major peculiarity of the concept is that it separates the paired potential into two independent components-the attractive potential and the repulsive one, which in turn should feature a very different dependence on the distance from the particle (a water molecule in the present case). We choose the interaction potential as a combination of the ionic crystal potential and the vibratory potential associated with the elastic properties of the water system as a whole. The number ℵ of water molecules that enters a cluster is calculated as a function of several parameters, such as the dielectric constant, the mass of a water molecule, the distance between nearest molecules, and the vibrations of nearest molecules in their nodes. The number of H2O molecules that comprise a cluster is estimated as about ℵ ≈ 900, which agrees with the available experimental data.
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