The rapid, degenerate 1,2-hydride shift in 2,3-dimethyl-2-butyl cation in stable solution in SbF5/ S02C1F was perturbed by deuterium and 13C leading to splittings observed by 13C NMR spectros­ copy over a range of temperatures. Accurate values for equilibrium isotope effects were obtained from these data. Theoretical calculations of the equilibrium isotope effects were performed using the Gauss...

Using ab initio alloy theory, we investigate the equilibrium bulk properties and elastic mechanics of the single bcc solid-solution AlxHf1−xNbTaTiZr (x = 0–0.7, 1.0) high entropy alloys. Ab initio predicted equilibrium volume is consistent with the available experiment. We make a detailed investigation of the alloying effect of Al and Hf on the equilibrium volume, elastic constants and polycrys...

Specially synthesized silica colloidal spheres with fluorescent cores were used as model electrorheological fluids to experimentally explore structure formation and evolution under conditions of no shear. Using Confocal Scanning Laser Microscopy we measured the location of each colloid in three dimensions. We observed an equilibrium body-centered tetragonal phase and several non-equilibrium str...

The known nonlinear mathematical model of the Glassy-winged Sharpshooter is considered. It is assumed that this model is influenced by stochastic perturbations of the white noise type and these perturbations are directly proportional to the deviation of the system state from the positive equilibrium point. A necessary and sufficient condition for asymptotic mean square stability of the equilibr...

The off-equilibrium dynamics of a monatomic Lennard-Jones glass is numerically investigated after sudden isothermal density jumps (crunch) from well equilibrated liquid configurations towards the glassy state. The generalized fluctuation-dissipation relation has been studied and the temperature dependence of the violation factor m is found in agreement with the one step replica symmetry breakin...

The hyperfine coupling constants (HFCCs) of all the butyl radicals that can be produced by muonium (Mu) addition to butene isomers (1- and 2-butene and isobutene) have been calculated, to compare with the experimental results for the muon and proton HFFCs for these radicals reported in paper II (Fleming, D. G.; et al. J. Phys. Chem. A 2011, 10.1021/jp109676b) that follows. The equilibrium geome...

We derive frequency moment sum rules for the retarded electronic Green's function and self-energy of the Holstein model for both equilibrium and nonequilibrium cases. We also derive sum rules for the phonon propagator in equilibrium and nonequilibrium. These sum rules allow one to benchmark nonequilibrium calculations and help with interpreting the behavior of electrons driven out of equilibriu...

[1] The prodigious heat flux emitted from the surface of Jupiter’s moon Io is produced in the interior of the satellite by viscoelastic dissipation of tidal energy and is generally thought to be brought to the surface by convective motions. New models of Io’s equilibrium thermal state are constructed using self-consistent calculations of tidal heating and convective heat transport. These models...

This article by modeling a non-cooperative dynamic game tries to improve profitability and competition. This paper has considered how the manufacturer interacts with multiple competitor distributors. Each distributor also determines the optimal distribution price and inventory replenishment policies to maximize their profits. The issue form a non-cooperative dynamic game. Distributors formulate...