Unified model of loop quantum gravity and matter

We reconsider the unified model of gravitation and Yang--Mills interactions proposed by Chakraborty and Peld\'an, in the light of recent formal developments in loop quantum gravity. In particular, we show that one can promote the Hamiltonian constraint of the unified model to a well defined anomaly-free quantum operator using the techniques introduced by Thiemann, at least for the Euclidean theory. The Lorentzian version of the model can be consistently constructed, but at the moment appears to yield a correct weak field theory only under restrictive assumptions, and its quantization appears problematic.Comment: 4 pages, dedicated to Michael P. Ryan on the occasion of his sixtieth birthda

A domain-specific analysis system for examining nuclear reactor simulation data for light-water and sodium-cooled fast reactors

Building a new generation of fission reactors in the United States presents many technical and regulatory challenges. One important challenge is the need to share and present results from new high-fidelity, high-performance simulations in an easily usable way. Since modern multiscale, multi-physics simulations can generate petabytes of data, they will require the development of new techniques and methods to reduce the data to familiar quantities of interest (e.g., pin powers, temperatures) with a more reasonable resolution and size. Furthermore, some of the results from these simulations may be new quantities for which visualization and analysis techniques are not immediately available in the community and need to be developed. This paper describes a new system for managing high-performance simulation results in a domain-specific way that naturally exposes quantities of interest for light water and sodium-cooled fast reactors. It describes requirements to build such a system and the technical challenges faced in its development at all levels (simulation, user interface, etc.). An example comparing results from two different simulation suites for a single assembly in a light-water reactor is presented, along with a detailed discussion of the system's requirements and design.Comment: Article on NiCE's Reactor Analyzer. 23 pages. Keywords: modeling, simulation, analysis, visualization, input-outpu

Simulating quantum effects of cosmological expansion using a static ion trap

We propose a new experimental testbed that uses ions in the collective ground state of a static trap for studying the analog of quantum-field effects in cosmological spacetimes, including the Gibbons-Hawking effect for a single detector in de Sitter spacetime, as well as the possibility of modeling inflationary structure formation and the entanglement signature of de Sitter spacetime. To date, proposals for using trapped ions in analog gravity experiments have simulated the effect of gravity on the field modes by directly manipulating the ions' motion. In contrast, by associating laboratory time with conformal time in the simulated universe, we can encode the full effect of curvature in the modulation of the laser used to couple the ions' vibrational motion and electronic states. This model simplifies the experimental requirements for modeling the analog of an expanding universe using trapped ions and enlarges the validity of the ion-trap analogy to a wide range of interesting cases.Comment: (v2) revisions based on referee comments, figure added for clarity; (v1) 17 pages, no figure

Diels−Alder Topochemistry via Charge-Transfer Crystals: Novel (Thermal) Single-Crystal-to-Single-Crystal Transformations

The solid-state [4+2] cycloaddition of anthracene to bis(N-ethylimino)-1,4-dithiin occurs via a unique single-phase topochemical reaction in the intermolecular (1:1) charge-transfer crystal. The thermal heteromolecular solid-state condensation involves the entire crystal, and this rare crystalline event follows topochemical control during the entire cycloaddition. As a result, a new crystalline modification of the Diels−Alder product is formed with a crystal-packing similar to that of the starting charge-transfer crystal but very different from that of the (thermodynamically favored) product modification obtained from solution-phase crystallization. Such a single-phase transformation is readily monitored by X-ray crystallography at various conversion stages, and the temporal changes in crystallographic parameters are correlated with temperature-dependent (solid-state) kinetic data that are obtained by 1H NMR spectroscopy at various reaction times. Thus, an acceleration of the solid-state reaction over time is found which results from a progressive lowering of the activation barrier for cycloaddition in a single crystal as it slowly and homogeneously converts from the reactant to the product lattice

Customers as decision-makers: strategic environmental assessment in the private sector

Despite its diversification and global spread, strategic environmental assessment (SEA) remains limited mainly to activities characterised by well-defined planning processes, typically within the public sector. This article explores the possible application of SEA within certain private-sector contexts where higher-level strategy-making itself is inherently weaker and development is often piecemeal and reactive. The possible adaptation of SEA to the preparation of a strategic document by a particular industrial concern in the UK is examined: this draws attention to the multi-actor nature of development processes within the industry. This leads to the suggestion that SEA in this setting should be thought of as a form of environmental advocacy oriented towards industrial customers, who are understood as sharing a decision-making role in infrastructure development.</p

A mechanistic study of the EC′ mechanism – the split wave in cyclic voltammetry and square wave voltammetry

In this paper, a detailed investigation of electrochemical reactions coupled with homogenous chemical steps using cyclic voltammetry (CV) and square wave voltammetry (SWV) was carried out to study the electrocatalytic (EC’) mechanism. In CV, parameters including scan rate, electrode material and redox reactant were investigated while in SWV, parameters including substrate concentrations and frequencies were altered to demonstrate EC’ mechanism. Mechanistic studies focused on the EC’ mechanism using L-cysteine with ferrocenecarboxylic acid and 1,1 ′-ferrocenedicarboxylic acid respectively. Voltammetric responses were recorded and under conditions of high chemical rate constant and low substrate concentration, a split wave was observed in both CV and SWV studies

Three-coordinate iron(II) expanded ring N-heterocyclic carbene complexes

A sterically demanding seven-membered expanded ring N-heterocyclic carbene (NHC) ligand allows access to rare examples of three-coordinate iron(II)-NHC complexes incorporating only halide coligands of the general formula [Fe(NHC)X 2 ] (NHC = 7-DiPP; X = Br (1) Cl (2)). Reducing the steric influence of the ancillary NHC ligand through modulation of the N-aryl substituents leads to either four- or three-coordinate complexes of the general formula [Fe(NHC)Br 2 (THF)] (3) or [Fe(NHC)Br 2 ] (4) (NHC = 7-Mes), dependent upon the solvent of recrystallization. The further reduction of NHC steric influence results in four-coordinate geometries at iron in the form of the dimeric species [Fe(NHC)Br(μ-Br)] 2 (5) or [Fe(NHC)Br 2 (THF)] (6) (NHC = SDiPP), again dependent upon the solvent of recrystallization. Compounds 1-6 have been analyzed by 1 H NMR spectroscopy, X-ray crystallography, elemental microanalysis, Mössbauer spectroscopy (for 1 and 3-5), and Evans method magnetic susceptibility. In addition to these measurements the three-coordinate species 1 and 4 have been further analyzed by SQUID magnetometry and CASSCF calculations, which show significant magnetic anisotropy that is extremely sensitive to the coordination geometry

Alteration of Availability of Heavy Metals to Aquatic Microflora by Complexation with Organics Associated with Oil Shale Development

Leachates from both raw (unretorted) and Paraho retorted oil shale show the ability to bind copper, and perhaps cadmium, strongly enough to mitigate the inhibitory effects of these metals on the growth of the test algal