A definitive heat of vaporization of silicon through benchmark ab initio calculations on SiF_4

In order to resolve a significant uncertainty in the heat of vaporization of silicon -- a fundamental parameter in gas-phase thermochemistry -- $\Delta H^\circ_{f,0}$[Si(g)] has been determined from a thermochemical cycle involving the precisely known experimental heats of formation of SiF_4(g) and F(g) and a benchmark calculation of the total atomization energy (TAE_0) of SiF_4 using coupled-cluster methods. Basis sets up to $[8s7p6d4f2g1h]$ on Si and $[7s6p5d4f3g2h]$ on F have been employed, and extrapolations for residual basis set incompleteness applied. The contributions of inner-shell correlation (-0.08 kcal/mol), scalar relativistic effects (-1.88 kcal/mol), atomic spin-orbit splitting (-1.97 kcal/mol), and anharmonicity in the zero-point energy (+0.04 kcal/mol) have all been explicitly accounted for. Our benchmark TAE_0=565.89 \pm 0.22 kcal/mol leads to $\Delta H^\circ_{f,0}$[Si(g)]=107.15 \pm 0.38 kcal/mol ($\Delta H^\circ_{f,298}$[Si(g)]=108.19 \pm 0.38 kcal/mol): between the JANAF/CODATA value of 106.5 \pm 1.9 kcal/mol and the revised value proposed by Grev and Schaefer [J. Chem. Phys. 97, 8389 (1992}], 108.1 \pm 0.5 kcal/mol. The revision will be relevant for future computational studies on heats of formation of silicon compounds.Comment: J. Phys. Chem. A, submitted Feb 1, 199

Non-parametric Cosmology with Cosmic Shear

We present a method to measure the growth of structure and the background geometry of the Universe -- with no a priori assumption about the underlying cosmological model. Using Canada-France-Hawaii Lensing Survey (CFHTLenS) shear data we simultaneously reconstruct the lensing amplitude, the linear intrinsic alignment amplitude, the redshift evolving matter power spectrum, P(k,z), and the co-moving distance, r(z). We find that lensing predominately constrains a single global power spectrum amplitude and several co-moving distance bins. Our approach can localise precise scales and redshifts where Lambda-Cold Dark Matter (LCDM) fails -- if any. We find that below z = 0.4, the measured co-moving distance r (z) is higher than that expected from the Planck LCDM cosmology by ~1.5 sigma, while at higher redshifts, our reconstruction is fully consistent. To validate our reconstruction, we compare LCDM parameter constraints from the standard cosmic shear likelihood analysis to those found by fitting to the non-parametric information and we find good agreement.Comment: 13 pages. Matches PRD accepted versio

Experimental measurement of focused wave group and solitary wave overtopping

Prediction of individual wave overtopping events is important in assessing danger to life and property, but data are sparse and hydrodynamic understanding is lacking. Laboratory-scale waves of three distinct types were generated at the Coastal Research Facility to model extreme waves overtopping a trapezoidal embankment. These comprised wave groups of compact form, wave groups embedded in a background wave field, and a solitary wave. The inshore wave propagation was measured and the time variation of overtopping rate estimated. The total volume overtopped was measured directly. The experiments provide well-defined data without uncertainty due to the effect of reflection on the incident wave train. The dependence of overtopping on a range of wave shapes is thus determined and the influence of wave-wave interactions on overtopping assessed. It was found that extreme overtopping may arise from focused waves with deep troughs rather than large crests. Furthermore, overtopping waves can be generated from small wave packets without affecting the applicability of results to cases in which there are surrounding waves. Finally, overtopping from a solitary wave is comparable with overtopping from focused wave groups of the same amplitude. © 2011 Copyright International Association for Hydro-Environment Engineering and Research

An ab initio study of the C3(+) cation using multireference methods

The energy difference between the linear 2 sigma(sup +, sub u) and cyclic 2B(sub 2) structures of C3(+) has been investigated using large (5s3p2d1f) basis sets and multireference electron correlation treatments, including complete active space self consistent fields (CASSCF), multireference configuration interaction (MRCI), and averaged coupled-pair functional (ACPF) methods, as well as the single-reference quadratic configuration interaction (QCISD(T)) method. Our best estimate, including a correction for basis set incompleteness, is that the linear form lies above the cyclic from by 5.2(+1.5 to -1.0) kcal/mol. The 2 sigma(sup +, sub u) state is probably not a transition state, but a local minimum. Reliable computation of the cyclic/linear energy difference in C3(+) is extremely demanding of the electron correlation treatment used: of the single-reference methods previously considered, CCSD(T) and QCISD(T) perform best. The MRCI + Q(0.01)/(4s2p1d) energy separation of 1.68 kcal/mol should provide a comparison standard for other electron correlation methods applied to this system

Plans for the first balloon flight of the gamma-ray polarimeter experiment (GRAPE)

We have developed a design for a hard X-ray polarimeter operating in the energy range from 50 to 500 keV. This modular design, known as GRAPE (Gamma-Ray Polarimeter Experiment), has been successfully demonstrated in the lab using partially polarized gamma-ray sources and using fully polarized photon beams at Argonne National Laboratory. In June of 2007, a GRAPE engineering model, consisting of a single detector module, was flown on a high altitude balloon flight to further demonstrate the design and to collect background data. We are currently preparing a much larger balloon payload for a flight in the fall of 2011. Using a large (16-element) array of detector modules, this payload is being designed to search for polarization from known point sources of radiation, namely the Crab and Cygnus X-1. This first flight will not only provide a scientific demonstration of the GRAPE design (by measuring polarization from the Crab nebula), it will also lay the foundation for subsequent long duration balloon flights that will be designed for studying polarization from gamma-ray bursts and solar flares. Here we shall present data from calibration of the first flight module detectors, review the latest payload design and update the predicted polarization sensitivity for both the initial continental US balloon flight and the subsequent long-duration balloon flights

GRAPE: a balloon-borne gamma-ray polarimeter

The Gamma-RAy Polarimeter Experiment (GRAPE) is a concept for an astronomical hard X-ray Compton polarimeter operating in the 50 - 500 keV energy band. The instrument has been optimized for wide-field polarization measurements of transient outbursts from energetic astrophysical objects such as gamma-ray bursts and solar flares. The GRAPE instrument is composed of identical modules, each of which consists of an array of scintillator elements read out by a multi-anode photomultiplier tube (MAPMT). Incident photons Compton scatter in plastic scintillator elements and are subsequently absorbed in inorganic scintillator elements; a net polarization signal is revealed by a characteristic asymmetry in the azimuthal scattering angles. We have constructed a prototype GRAPE module that has been calibrated at a polarized hard X-ray beam and flown on an engineering balloon test flight. A full-scale scientific balloon payload, consisting of up to 36 modules, is currently under development. The first flight, a one-day flight scheduled for 2011, will verify the expected scientific performance with a pointed observation of the Crab Nebula. We will then propose long-duration balloon flights to observe gamma-ray bursts and solar flares

Compton scattering in strong magnetic fields: Spin-dependent influences at the cyclotron resonance

The quantum electrodynamical (QED) process of Compton scattering in strong magnetic fields is commonly invoked in atmospheric and inner magnetospheric models of x-ray and soft gamma-ray emission in high-field pulsars and magnetars. A major influence of the field is to introduce resonances at the cyclotron frequency and its harmonics, where the incoming photon accesses thresholds for the creation of virtual electrons or positrons in intermediate states with excited Landau levels. At these resonances, the effective cross section typically exceeds the classical Thomson value by over 2 orders of magnitude. Near and above the quantum critical magnetic field of 44.13 TeraGauss, relativistic corrections must be incorporated when computing this cross section. This paper presents formalism for the QED magnetic Compton differential cross section valid for both subcritical and supercritical fields, yet restricted to scattered photons that are below pair creation threshold. Calculations are developed for the particular case of photons initially propagating along the field, mathematically simple specializations that are germane to interactions involving relativistic electrons frequently found in neutron star magnetospheres. This exposition of relativistic, quantum, magnetic Compton cross sections treats electron spin dependence fully, since this is a critical feature for describing the finite decay lifetimes of the intermediate states. The formalism employs both the Johnson and Lippmann (JL) wave functions and the Sokolov and Ternov (ST) electron eigenfunctions of the magnetic Dirac equation. The ST states are formally correct for self-consistently treating spin-dependent effects that are so important in the resonances. Relatively compact analytic forms for the cross sections are presented that will prove useful for astrophysical modelers.Comment: 45 pages, 10 figures, accepted for publication in Phys. Rev.

Report from space plasma science

Space plasma science, especially plasma experiments in space, is discussed. Computational simulations, wave generation and propagation, wave-particle interactions, charged particle acceleration, particle-particle interactions, radiation transport in dense plasmas, macroscopic plasma flow, plasma-magnetic field interactions, plasma-surface interactions, prospects for near-term plasma science experiments in space and three-dimensional plasma experiments are among the topics discussed

Simulations of a monolithic lanthanum bromide gamma-ray detector

We have been working on the development of a detector design for a large area coded aperture imaging system operating in the 10-600 keV energy range. The detector design is based on an array of Lanthanum Bromide (LaBr3) scintillators, each directly coupled to a Hamamatsu 64-channel multi-anode photomultiplier tube (MAPMT). This paper focuses on the development of the GEANT4-based simulations as an aid in the optimization of the detector design. The simulations have been validated by comparisons with various laboratory data sets. We will summarize the current status and latest findings from this study