Cryptic post-transition state bifurcations that reduce the efficiency of lactone-forming Rh-carbenoid C-H insertions.

Byproducts of chemical reactions are generally thought to result from the competition between two reaction pathways, each with its own rate-determining transition state structure. We show here, however, that pathways with a single transition state structure followed by a post-transition state bifurcation may also be a source of undesired products, especially those whose appearance is unexpected. The viability of this scenario for intramolecular C-H insertion reactions affording β-lactones via Rh-carbenoid intermediates is assessed through quantum chemical calculations on potential energy surfaces and quasi-classical molecular dynamics simulations. It appears that, in these cases, the rhodium catalyst is to blame for the accessibility of a second, unintended, pathway following the transition state structure for β-lactone formation that leads to fragmentation to a ketene and carbonyl compound. If an unexpected product is formed via a post-transition state bifurcation, conventional strategies for suppressing its formation are unlikely to succeed. Guidelines for recognizing the presence of a post-transition state bifurcation are described here, along with hints at means for controlling product distributions

Gamow-Teller GT+ distributions in nuclei with mass A=90-97

We investigate the Gamow-Teller strength distributions in the electron-capture direction in nuclei having mass A=90-97, assuming a 88Sr core and using a realistic interaction that reasonably reproduces nuclear spectroscopy for a wide range of nuclei in the region as well as experimental data on Gamow-Teller strength distributions. We discuss the systematics of the distributions and their centroids. We also predict the strength distributions for several nuclei involving stable isotopes that should be experimentally accessible for one-particle exchange reactions in the near future.Comment: 9 pages, 10 figures (from 17 eps files), to be submitted to Phys.Rev.C; corrected typos, minor language change

Hydrostatic pressure transducers of carbon and ytterbium Final report

Hydrostatic pressure coefficients of electrical resistivity for carbon and ytterbium pressure transducer

Renormalization of Drift and Diffusivity in Random Gradient Flows

We investigate the relationship between the effective diffusivity and effective drift of a particle moving in a random medium. The velocity of the particle combines a white noise diffusion process with a local drift term that depends linearly on the gradient of a gaussian random field with homogeneous statistics. The theoretical analysis is confirmed by numerical simulation. For the purely isotropic case the simulation, which measures the effective drift directly in a constant gradient background field, confirms the result previously obtained theoretically, that the effective diffusivity and effective drift are renormalized by the same factor from their local values. For this isotropic case we provide an intuitive explanation, based on a {\it spatial} average of local drift, for the renormalization of the effective drift parameter relative to its local value. We also investigate situations in which the isotropy is broken by the tensorial relationship of the local drift to the gradient of the random field. We find that the numerical simulation confirms a relatively simple renormalization group calculation for the effective diffusivity and drift tensors.Comment: Latex 16 pages, 5 figures ep

Development of GaAs and GaAs/1-x/P/x/ thin-film bipolar transistors Final report

Development of GaAs and GaAs/1-xPx thin film bipolar transistor

Some observations on the renormalization of membrane rigidity by long-range interactions

We consider the renormalization of the bending and Gaussian rigidity of model membranes induced by long-range interactions between the components making up the membrane. In particular we analyze the effect of a finite membrane thickness on the renormalization of the bending and Gaussian rigidity by long-range interactions. Particular attention is paid to the case where the interactions are of a van der Waals type.Comment: 11 pages RexTex, no figure

Solution of large scale nuclear structure problems by wave function factorization

Low-lying shell model states may be approximated accurately by a sum over products of proton and neutron states. The optimal factors are determined by a variational principle and result from the solution of rather low-dimensional eigenvalue problems. Application of this method to sd-shell nuclei, pf-shell nuclei, and to no-core shell model problems shows that very accurate approximations to the exact solutions may be obtained. Their energies, quantum numbers and overlaps with exact eigenstates converge exponentially fast as the number of retained factors is increased.Comment: 12 pages, 12 figures (from 15 eps files) include

Development of GaAs and GaAs sub /1-x/ P sub x thin-film bipolar transistors Final report

Fabrication and electrical properties of GaAs type thin film bipolar transistor