Theoretical studies of a hydrogen abstraction tool for nanotechnology

In the design of a nanoscale, site-specific hydrogen abstraction tool, the authors suggest the use of an alkynyl radical tip. Using ab initio quantum-chemistry techniques including electron correlation they model the abstraction of hydrogen from dihydrogen, methane, acetylene, benzene and isobutane by the acetylene radical. By conservative estimates, the abstraction barrier is small (less than 7.7 kcal mol^-1) in all cases except for acetylene and zero in the case of isobutane. Thermal vibrations at room temperature should be sufficient to supply the small activation energy. Several methods of creating the radical in a controlled vacuum setting should be feasible. The authors show how nanofabrication processes can be accurately and inexpensively designed in a computational framework

Three Year Summary: Comparison of Diets Collected from Esophageally Fistulated Cows to Forage Quality Estimated from Fecal Analysis

Inconsistency was found in forage quality (crude protein and energy) when esophageally fistulated diets were compared to Nutrition Balance Analyzer (NUTBAL) analysis of fecal samples. On upland range sites, hand-clipping of samples (not a recommended practice to measure forage quality), was closer to fistulated diets than NUTBAL analysis. If cattle managers are solely utilizing NUTBAL for estimates of forage value, incorrect supplemental energy and protein decisions will likely be made resulting in the purchase of unnecessary supplements, thereby reducing the profitability of the operation

Rotating solenoidal perfect fluids of Petrov type D

We prove that aligned Petrov type D perfect fluids for which the vorticity vector is not orthogonal to the plane of repeated principal null directions and for which the magnetic part of the Weyl tensor with respect to the fluid velocity has vanishing divergence, are necessarily purely electric or locally rotationally symmetric. The LRS metrics are presented explicitly.Comment: 6 pages, no figure

First-principles calculation of intrinsic defect formation volumes in silicon

We present an extensive first-principles study of the pressure dependence of the formation enthalpies of all the know vacancy and self-interstitial configurations in silicon, in each charge state from -2 through +2. The neutral vacancy is found to have a formation volume that varies markedly with pressure, leading to a remarkably large negative value (-0.68 atomic volumes) for the zero-pressure formation volume of a Frenkel pair (V + I). The interaction of volume and charge was examined, leading to pressure--Fermi level stability diagrams of the defects. Finally, we quantify the anisotropic nature of the lattice relaxation around the neutral defects.Comment: 9 pages, 9 figure

Gravitational Collapse of Dust with a Cosmological Constant

The recent analysis of Markovic and Shapiro on the effect of a cosmological constant on the evolution of a spherically symmetric homogeneous dust ball is extended to include the inhomogeneous and degenerate cases. The histories are shown by way of effective potential and Penrose-Carter diagrams.Comment: 2 pages, 2 figures (png), revtex. To appear in Phys. Rev.

Dimension in a Radiative Stellar Atmosphere

Dimensional scales are examined in an extended 3+1 Vaidya atmosphere surrounding a Schwarzschild source. At one scale, the Vaidya null fluid vanishes and the spacetime contains only a single spherical 2-surface. Both of these behaviors can be addressed by including higher dimensions in the spacetime metric.Comment: to appear in Gen. Rel. Gra

New measurement of the scattering cross section of slow neutrons on liquid parahydrogen from neutron transmission

Liquid hydrogen is a dense Bose fluid whose equilibrium properties are both calculable from first principles using various theoretical approaches and of interest for the understanding of a wide range of questions in many body physics. Unfortunately, the pair correlation function $g(r)$ inferred from neutron scattering measurements of the differential cross section $d\sigma \over d\Omega$ from different measurements reported in the literature are inconsistent. We have measured the energy dependence of the total cross section and the scattering cross section for slow neutrons with energies between 0.43~meV and 16.1~meV on liquid hydrogen at 15.6~K (which is dominated by the parahydrogen component) using neutron transmission measurements on the hydrogen target of the NPDGamma collaboration at the Spallation Neutron Source at Oak Ridge National Laboratory. The relationship between the neutron transmission measurement we perform and the total cross section is unambiguous, and the energy range accesses length scales where the pair correlation function is rapidly varying. At 1~meV our measurement is a factor of 3 below the data from previous work. We present evidence that these previous measurements of the hydrogen cross section, which assumed that the equilibrium value for the ratio of orthohydrogen and parahydrogen has been reached in the target liquid, were in fact contaminated with an extra non-equilibrium component of orthohydrogen. Liquid parahydrogen is also a widely-used neutron moderator medium, and an accurate knowledge of its slow neutron cross section is essential for the design and optimization of intense slow neutron sources. We describe our measurements and compare them with previous work.Comment: Edited for submission to Physical Review