Article on phase transition enthalpy measurements of organic and organometallic compounds, sublimation, and vaporization and fusion enthalpies from 1880 to 2010.

Article discussing three-coordinate terminal imidoiron(III) complexes and the structure, spectroscopy, and the mechanism of formation.

The physical properties of YbNi{sub 3}Al{sub 9.23}, including the crystal structure, magnetization, specific heat, valence, and electrical resistivity, are reported. Single crystal X-ray diffraction reveals that the compound crystallizes with the rhombohedral space group R32 and has unit cell parameters a=7.2443(3) Å and c=27.251(3) Å with some crystallographic disorder on an Al site. The compound orders antiferromagnetically at T{sub N}=3 K despite the presence of strong ferromagnetic correlations, accompanied by a spin flop-like transition to a moment-aligned rate above 0.1 T. X-ray absorption spectroscopy and magnetic susceptibility measurements indicate a localized Yb{sup 3+} electronic configuration, while the Sommerfeld coefficient in the magnetically ordered state was determined to be approximately 135 mJ/mol-K{sup 2}, suggesting moderately heavy fermion behavior. Therefore, these data indicate a balance between competing Ruderman-Kittel-Kasuya-Yosida (RKKY) and Kondo interactions in YbNi{sub 3}Al{sub 9.23} with a somewhat dominant RKKY interaction that leads to a relatively high ordering temperature.

Graphene grown by chemical vapor deposition and supported on SiO2 and sapphire substrates was studied following controlled introduction of defects induced by 35 keV carbon ion irradiation. Changes in Raman spectra following fluences ranging from 1012 cm-2 to 1015 cm-2 indicate that the structure of graphene evolves from a highly-ordered layer, to a patchwork of disordered domains, to an essentially amorphous film. These structural changes result in a dramatic decrease in the Hall mobility by orders of magnitude while, remarkably, the Hall concentration remains almost unchanged, suggesting that the Fermi level is pinned at a hole concentration near 1x1013 cm-2. A model for scattering by resonant scatterers is in good agreement with mobility measurements up to an ion fluence of 1x1014 cm-2.

A ferrocene-based biscatecholamide ligand was prepared and investigated for the formation of metal-ligand supramolecular assemblies with different metals. Reaction with Ge(IV) resulted in the formation of a variety of Ge{sub n}L{sub m} coordination complexes, including [Ge{sub 2}L{sub 3}]{sup 4-} and [Ge{sub 2}L{sub 2}({mu}-OMe){sub 2}]{sup 2-}. The ligand's ability to swivel about the ferrocenyl linker and adopt different conformations accounts for formation of many different Ge{sub n}L{sub m} species. This study demonstrates why conformational ligand rigidity is essential in the rational design and directed self-assembly of supramolecular complexes.

The neutron capture reaction is useful in identifying and analyzing the gamma-ray spectrum from an unknown assembly as it gives unambiguous information on its composition. this can be done passively or actively where an external neutron source is used to probe an unknown assembly. There are known capture gamma-ray data gaps in the ENDF libraries used by transport codes for various nuclear applications. The Evaluated Gamma-ray Activation file (EGAF) is a new thermal neutron capture database of discrete line spectra and cross sections for over 260 isotopes that was developed as part of an IAEA Coordinated Research project. EGAF is being used to improve the capture gamma production in ENDF libraries. For medium to heavy nuclei the quasi continuum contribution to the gamma cascades is not experimentally resolved. The continuum contains up to 90% of all the decay energy and is modeled here with the statistical nuclear structure code DICEBOX. This code also provides a consistency check of the level scheme nuclear structure evaluation. The calculated continuum is of sufficient accuracy to include in the ENDF libraries. This analysis also determines new total thermal capture cross sections and provides an improved RIPL database. For higher energy neutron capture there is …

The polarized beam for RHIC is produced in the optically-pumped polarized H{sup -} ion source and then accelerated in Linac to 200 MeV for strip-injection to Booster and further accelerated 24.3 GeV in AGS for injection in RHIC. In 2009 Run polarized protons was successfully accelerated to 250 GeV beam energy. The beam polarization of about 60% at 100 GeV beam energy and 36-42% at 250 GeV beam energy was measured with the H-jet and p-Carbon CNI polarimeters. The gluon contribution to the proton spin was studied in collisions of longitudinally polarized proton beams at 100 x 100 GeV. At 250 x 250 GeV an intermediate boson W production with the longitudinally polarized beams was studied for the first time.

The Static X-ray Imager (SXI) at the National Ignition Facility (NIF) is a pinhole camera using a CCD detector to obtain images of hohlraum wall x-ray drive illumination patterns seen through the laser entrance hole (LEH). Carefully chosen filters combined with the CCD response allows recording images in the x-ray range of 3 to 5 keV with 60 {micro}m spatial resolution. The routines used to obtain the apparent size of the backlit LEH, and the location and intensity of beam spots are discussed and compared to predictions. A new soft x-ray channel centered at 870 eV (near the x-ray peak of a 300 eV temperature ignition hohlraum) is discussed.

The authors report on modeling of x-ray yield from gas-filled targets shot at the OMEGA laser facility. The OMEGA targets were 1.8 mm long, 1.95 mm in diameter Be cans filled with either a 50:50 Ar:Xe mixture, pure Ar, pure Kr or pure Xe at {approx} 1 atm. The OMEGA experiments heated the gas with 20 kJ of 3{omega} ({approx} 350 nm) laser energy delivered in a 1 ns square pulse. the emitted x-ray flux was monitored with the x-ray diode based DANTE instruments in the sub-keV range. Two-dimensional x-ray images (for energies 3-5 keV) of the targets were recorded with gated x-ray detectors. The x-ray spectra were recorded with the HENWAY crystal spectrometer at OMEGA. Predictions are 2D r-z cylindrical with DCA NLTE atomic physics. Models generally: (1) underpredict the Xe L-shell yields; (2) overpredict the Ar K-shell yields; (3) correctly predict the Xe thermal yields; and (4) greatly underpredict the Ar thermal yields. However, there are spreads within the data, e.g. the DMX Ar K-shell yields are correctly predicted. The predicted thermal yields show strong angular dependence.

With the rise in availability and importance of graphs and networks, it has become increasingly important to have good models to describe their behavior. While much work has focused on modeling static graphs, we focus on group discovery in dynamic graphs. We adapt a dynamic extension of Latent Dirichlet Allocation to this task and demonstrate good performance on two datasets. Modeling relational data has become increasingly important in recent years. Much work has focused on static graphs - that is fixed graphs at a single point in time. Here we focus on the problem of modeling dynamic (i.e. time-evolving) graphs. We propose a scalable Bayesian approach for community discovery in dynamic graphs. Our approach is based on extensions of Latent Dirichlet Allocation (LDA). LDA is a latent variable model for topic modeling in text corpora. It was extended to deal with topic changes in discrete time and later in continuous time. These models were referred to as the discrete Dynamic Topic Model (dDTM) and the continuous Dynamic Topic Model (cDTM), respectively. When adapting these models to graphs, we take our inspiration from LDA-G and SSN-LDA, applications of LDA to static graphs that have been shown to effectively factor out community …

Carbon monoxide oxidation over ruthenium catalysts has shown an unusual catalytic behavior. Here we report a particle size effect on CO oxidation over Ru nanoparticle (NP) catalysts. Uniform Ru NPs with a tunable particle size from 2 to 6 nm were synthesized by a polyol reduction of Ru(acac){sub 3} precursor in the presence of poly(vinylpyrrolidone) stabilizer. The measurement of catalytic activity of CO oxidation over two-dimensional Ru NPs arrays under oxidizing reaction conditions (40 Torr CO and 100 Torr O{sub 2}) showed an activity dependence on the Ru NP size. The CO oxidation activity increases with NP size, and the 6 nm Ru NP catalyst shows 8-fold higher activity than the 2 nm catalysts. The results gained from this study will provide the scientific basis for future design of Ru-based oxidation catalysts.

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A central issue on high-T{sub c} superconductivity is the nature of the normal-state gap (pseudogap) in the underdoped regime and its relationship with superconductivity. Despite persistent efforts, theoretical ideas for the pseudogap evolve around fluctuating superconductivity, competing order and spectral weight suppression due to many-body effects. Recently, while some experiments in the superconducting state indicate a distinction between the superconducting gap and pseudogap, others in the normal state, either by extrapolation from high-temperature data or directly from La{sub 1.875}Ba{sub 0.125}CuO{sub 4} (LBCO-1/8) at low temperature, suggest the ground-state pseudogap is a single gap of d-wave form. Here we report angle-resolved photoemission (ARPES) data from LBCO-1/8, collected with improved experimental conditions, that reveal the ground-state pseudogap has a pronounced deviation from the simple d-wave form. It contains two distinct components: a d-wave component within an extended region around the node and the other abruptly enhanced close to the antinode, pointing to a dual nature of the pseudogap in this failed high-T{sub c} superconductor which involves a possible precursor pairing energy scale around the node and another of different but unknown origin near the antinode.

Recent scanning tunneling microscopy studies have shown that local nanoscale pairing inhomogenities are correlated with interstitial oxygen dopants in Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}}. Combining electrostatic and cluster calculations, in this paper the impact of a dopant on the local Madelung and charge transfer energies, magnetic exchange J, Zhang-Rice mobility, and interactions with the lattice is investigated. It is found that electrostatic modifications locally increases the charge transfer energy and slightly suppresses J. It is further shown that coupling to c-axis phonons is strongly modified near the dopant. The combined effects of electrostatic modifications and coupling to the lattice yield broadened spectral features, reduced charge gap energies, and a sizable local increase of J. This implies a strong local interplay between antiferromagnetism, polarons, and superconducting pairing.

The National Ignition Facility (NIF) will be impacted by electromagnetic pulse (EMP) during normal long-pulse operation, but the largest impacts are expected during short-pulse operation utilizing the Advanced Radiographic Capability (ARC). Without mitigation these impacts could range from data corruption to hardware damage. We describe our EMP measurement systems on Titan and NIF and present some preliminary results and thoughts on mitigation.

Superconducting excitations - Bogoliubov quasiparticles - are the quantum mechanical mixture of negatively charged electron (-e) and positively charged hole (+e). We propose a new observable for Angular Resolved Photoemission Spectroscopy (ARPES) studies that is the manifestation of the particle-hole entanglement of the superconducting quasiparticles. We call this observable a Bogoliubov angle. This angle measures the relative weight of particle and hole amplitude in the superconducting (Bogoliubov) quasiparticle. We show how this quantity can be measured by comparing the ratio of spectral intensities at positive and negative energies.

The uncertainty associated with the sorption coefficient, or K{sub d} value, is one of the key uncertainties in estimating risk associated with burying low-level nuclear waste in the subsurface. The objective of this study was to measure >648 K{sub d} values and provide a measure of the range and distribution (normal or log-normal) of radionuclide K{sub d} values appropriate for the E-Area disposal site, within the Savannah River Site, near Aiken South Carolina. The 95% confidence level for the mean K{sub d} was twice the mean in the Aquifer Zone (18-30.5 m depth), equal to the mean for the Upper Vadose Zone (3.3-10 m depth), and half the mean for the Lower Vadose Zone (3.3-18 m depth). The distribution of K{sub d} values was log normal in the Upper Vadose Zone and Aquifer Zone, and normal in the Lower Vadose Zone. To our knowledge, this is the first report of natural radionuclide K{sub d} variability in the literature. Using ranges and distribution coefficients that are specific to the hydrostratigraphic unit improved model accuracy and reduced model uncertainty. Unfortunately, extension of these conclusions to other sites is likely not appropriate given that each site has its own sources of hydrogeological variability. …