Thermal field soliton self-organization arising due to absorption of background atoms vibrations is observed in numerical experiment in nonlinear chain with Lennard-Jones potential at high temperature. At some stage intensive space-localized waves are formed and give additional peaks on high-energy tile of energy distribution unlike of Gibbs one.

Now the Gibbs estimators are used to solve many problems in computer vision, optimal control, Bayesian statistics etc. Their determination is equivalent to minimization of corresponding energy functions. Therefore, the real use of the estimators is restricted by opportunity to compute or evaluate satisfactory values of the energy functions. New combinatorial techniques that have been developed ...

The adaptive TAP Gibbs free energy for a general densely connected probabilistic model with quadratic interactions and arbritary single site constraints is derived. We show how a specific sequential minimization of the free energy leads to a generalization of Minka’s expectation propagation. Lastly, we derive a sparse representation version of the sequential algorithm. The usefulness of the app...

A simple expression for the Gibbs free energy of formation of a pure component or a eutectic alloy glass, relative to the stable crystalline phase (or phases) at the same temperature is deduced by use of thermodynamic arguments. The expression obtained is supposed to apply to both monocomponent and multicomponent liquid alloys that might become glasses from the supercooled liquid state, irrespe...

Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic parameters. The increasing scope and diversity of metabolic models has led scientists to look for genome-scale solutions that can estimate the standard Gibbs energy of all the reactions in metabolism. Group contrib...

Development of robust and efficient methods for the computation of multiphase systems has long been a challenge in both chemical and petroleum engineering as well as in materials science. Several techniques have been developed, particularly those which apply the Gibbs free energy minimization. In addition to calculation of global equilibrium problems, practical process simulation would benefit ...

The paper reports computations on endohedral fullerene systems, combining the treatments of quantum chemistry and statistical mechanics. Relative concentrations of five isomers of Ca@C72 are presented as an illustration, using the Gibbs energy based on density-functional theory computations. Anharmonicity effects are probed on a simple model system of C6. The temperature-pressure stabilization ...

Modeling and optimization of synthesis gas production via the non-catalytic partial oxidation of methane (NCPO) were studied by minimizing of Gibbs free energy, and comparison studies were carried out to analyze the mechanism of syngas production. For this purpose, concentrations of CO2 and H2O in the feed were optimized in specified pressure and temperature, such that the hydrogen to carbon mo...

We present an algorithm for creating a neural network which produces accurate probability estimates as outputs. The network implements a Gibbs probability distribution model of the training database. This model is created by a new transformation relating the joint probabilities of attributes in the database to the weights (Gibbs potentials) of the distributed network model. The theory of this t...

Gibbs oscillations in the truncated spectral representation of the earth's topography are strongly reduced by determining its spectral coefficients as a minimum of a nonuniformly weighted, nonquadratic cost function. The cost function penalizes the difference between spectral and true topography with weights that are explicit functions of the topographic height and its gradient. The sensitivity...