Baker's computation of the configurational entropy of large atoms.
Monte Carlo computation of configurational entropy for large atoms blocking several sites on lattice, using statistical mechanics
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Monte Carlo computation of configurational entropy for large atoms blocking several sites on lattice, using statistical mechanics
Generalized random walk method presented as master equation in nonequilibrium statistical mechanics
Theoretical biology including quantum biochemistry statistical mechanics, pharmacology, and cytology
Statistical mechanics, chemical analysis, and elasticity studies for macromolecular networks like rubber
Gas adsorption on solids, discussing statistical mechanical theory assuming localized adsorption for first adlayer and nonlocalized mobile layer adsorption on top
Lattice vibration theory of solid state diffusion for Cu including anharmonic effects formulated using equilibrium statistical mechanics, considering interacting phonon events
Statistical mechanics of always usable, limited length, permutation tests for two way analysis of variance and applications in quality control
Statistical mechanics of sequential randomization tests for two way variance emphasizing most recently acquired data and applications in quality control
Statistical mechanics of sequential randomization tests for one way variance emphasizing most recently acquired data and applications in quality control
Statistical mechanics for constructing confidence intervals for variance ratios in balanced and unbalanced experimental designs
Statistical mechanics for wall shear turbulence in couette flow based on Brownian motion and comparison with stochastic theory based on Navier-Stokes equation
Statistical mechanics for wall shear turbulence in Couette flow based on Brownian motion and comparison with stochastic theory based on Navier-Stokes equation
Ternary solid solutions with substitutional and interstitial solute atoms, developing statistical mechanical interaction model
Several features of the equilibrium and nonequilibrium statistical mechanics of a two-dimensional plasma in a uniform dc magnetic field are investigated. The charges are assumed to interact only through electrostatic potentials. The problem is considered both with and without the guiding-center approximation. With the guiding-center approximation, an appropriate Liouville equation and BBGKY hierarchy predict no approach to thermal equilibrium for the spatially uniform case. For the spatially nonuniform situation, a guiding-center Vlasov equation is discussed and solved in special cases. For the nonequilibrium, nonguiding-center case, a Boltzmann equation, and a Fokker-Planck equation are derived in the appropriate limits. The latter is more tractable than the former, and can be shown to obey conservation laws and an H-theorem, but contains a divergent integral which must be cut off on physical grounds. Several unsolved problems are posed.
The expectation of the solution process in a stochastic operator equation can be obtained from averaged equations only under very special circumstances. Conditions for validity are given and the significance and validity of the approximation in widely used hierarchy methods and the ?self-consistent field' approximation in nonequilibrium statistical mechanics are clarified. The error at any level of the hierarchy can be given and can be avoided by the use of the iterative method.
A broad program is reported of research in theoretical chemistry, particularly in molecular quantum and statistical mechanics, directed toward determination of the physical and chemical properties of materials, relation of these macroscopic properties to properties of individual molecules, and determination of the structure and properties of the individual molecules. Abstracts are presented for each research project conducted during the course of the program.
A thermodynamic-like approach to the characterization of product state distributions is outlined. A moment analysis of the surprisal and the entropy deficiency is presented from a statistical mechanical viewpoint. The role of reactant state selection is discussed using the 'state function' property of the entropy.
Turbulent Couette flow between parallel plates was studied from a statistical mechanics approach utilizing a model equation, similar to the Boltzmann equation of kinetic theory, which was proposed by Lundgren from the velocity distribution of fluid elements. Solutions to this equation are obtained numerically, employing the discrete ordinate method and finite differences. Two types of boundary conditions on the distribution function are considered, and the results of the calculations are compared to available experimental data. The research establishes that Lundgren's equation provides a very good description of turbulence for the flow situation considered and that it offers an analytical tool for further study of more complex turbulent flows. The present work also indicates that modelling of the boundary conditions is an area where further study is required.