Journal ArticleDOI
Moderately dense gas quantum kinetic theory: Aspects of pair correlations
TLDR
In this paper, an appropriate evolution equation for the pair correlations is considered, which includes their decay via interactions with other particles in the gas, and the Wigner functions are used to uniquely separate macroscopic and microscopic properties.Abstract:
A recently formulated density corrected quantum Boltzmann equation emphasizes the need to explicitly include pair correlations and the conversion of kinetic energy to potential energy as important effects in the kinetic theory of moderately dense gases. This paper first considers an appropriate evolution equation for the pair correlations which includes their decay via interactions with other particles in the gas. The molecular description is given of such a gas close to local thermal equilibrium, together with expressions for the associated hydrodynamic variables. Wigner functions are used to uniquely separate macroscopic and microscopic properties. An accompanying paper solves the combination of linearized Boltzmann and correlated pair equations to obtain expressions for the transport coefficients.read more
Citations
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Variational Multiscale Models for Charge Transport
TL;DR: The coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems and a number of computational algorithms are developed to implement the proposed new variational multiscale models in an efficient manner.
Journal ArticleDOI
Differential geometry based multiscale models.
TL;DR: For excessively large aqueous macromolecular complexes in chemistry and biology, differential geometry based multiscale fluid-electro-elastic models are developed to replace the expensive molecular dynamics description with an alternative elasticity formulation.
Journal ArticleDOI
Multiscale Multiphysics and Multidomain Models I: Basic Theory.
TL;DR: This work extends the earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems.
Journal ArticleDOI
Quantum dynamics in continuum for proton transport—Generalized correlation
Duan Chen,Guo-Wei Wei +1 more
TL;DR: Comparisons between the present model predictions and experimental data of current-voltage curves, as well as current-concentration curves of the Gramicidin A channel, verify the new model.
Posted Content
Shock capturing by anisotropic diffusion oscillation reduction
TL;DR: In this paper, anisotropic diffusion oscillation reduction (ADOR) is proposed for image edge detection and numerical shock wave computations, which is validated by using Burgers' equation in one and two spatial dimensions, the incompressible Navier-Stokes equation and the Euler equation.
References
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Book
Molecular theory of gases and liquids
TL;DR: Molecular theory of gases and liquids as mentioned in this paper, molecular theory of gas and liquids, Molecular theory of liquid and gas, molecular theories of gases, and liquid theory of liquids, مرکز
Journal ArticleDOI
On the Quantum Correction For Thermodynamic Equilibrium
TL;DR: In this article, the Boltzmann formula for the probability of a configuration is given in classical theory by means of a probability function, and the result discussed is developed for the correction term.