Pressure induced phase transitions in hydroquinone

High pressure behavior of alpha-hydroquinone (1,4-dihydroxybenzene) has been studied using Raman spectroscopy up to pressures of 19 GPa. Evolution of Raman spectra suggests two transitions around 3.3 and 12.0 GPa. The first transition appears to be associated with the lowering of crystal symmetry. Above 12.0 GPa, Raman bands in the internal modes region exhibit continuous broadening suggesting that the system is progressively evolving into a disordered state. This disorder is understood as arising due to distortion of the hydrogen-bonded cage across the second transition around 12 GPa.     

Spin-dependent electron momentum densities in Co2FeGa studied by Compton scattering

The spin density of Heusler alloy Co₂FeGa, has been studied using the Compton scattering technique with 274 keV circularly polarized synchrotron radiation in the high energy inelastic scattering beamline (BL08W), at SPring-8, Japan. The magnetic Compton profiles along the two principal directions [1 1 0] and [1 1 1] were measured. The spin profiles shows a good agreement with our FLAPW-GGA results, where the theoretical results were based on the ferromagnetic ground state. The 3d spin moment at the Co and the Fe site was found to be in excellent agreement with the earlier reported neutron diffraction measurements.     

Experimental Evaluation of Procedures for Heat Capacity Measurement by Differential Scanning Calorimetry

Experimental evaluation of the procedures adopted for heat capacity measurements employing differential scanning calorimetry (DSC) has been carried out by taking nickel and sapphire as test samples. Among the various methodologies reported in literature, the absolute dual step method was chosen for this purpose due to its simplicity and minimum number of measurements required. By proper temperature and heat flux calibration employing indium as reference, it was possible to obtain the calibration factor independent of temperature. This was ascertained by analysing other pure metals namely Sn, Zn, Cd, and Pb and determining their melting temperatures and heats of melting. Various operator- and sample-dependent parameters such as heating rate, sample mass, the structure of the sample, reproducibility and repeatability in the measurements were investigated. Heat capacities of both nickel and sapphire have been determined using the above method. Further, the heat capacity of nickel has also been determined using the widely employed three-step method taking sapphire as the heat flux calibration standard. Both methods yielded the comparable heat capacity values for nickel. Based on the parameters investigated and their influence, it could be concluded that reasonably precise and accurate heat capacity measurements are possible with DSC. One advantage of this method is the elimination of a separate calibration run using a reference material of known heat capacity. This revised version was published online in August 2006 with corrections to the Cover Date.     

Synthesis of 1-p-Methoxyphenyl and 1-p-Methoxyphenyl-4-methylbicyclo-[2.2.1]heptan-7-one. The Oxidation of 7-Hydroxy-1-p-methoxyphenyl-4-methylbicyclo[2.2.1]heptan-7-carboxylic Acid with Lead Tetraacetate

A simple synthetic route to 1-p-methoxyphenyl and 1-p-methoxyphenyl-4-methylbicyclo [2.2.1]heptan-7-one 6b,a has been developed through benzilic acid rearrangement of the bicyclo[2.2.1]octandiones 2b,a. The oxidation of 7-hydroxy-1-p-methoxyphenyl-4-methylbicyclo[2.2.1]heptan-7-carboxylic acid 3a with lead tetraacetate gives the carbolactone 7a which is also formed by the reaction of the ketone 6a with m-chloroperbenzoic acid.     

Strong signal of dynamical long-range correlation among target fragments in relativistic and ultra-relativistic nuclear interactions

This paper reports an investigation on the two-particle long-range angular correlation among the target fragments produced in ²⁸Si–AgBr interactions at 14.5 AGeV, ¹⁶O–AgBr interactions at 60 AGeV and ³²S–AgBr interactions at 200 AGeV. The experimental data have been compared with Monte Carlo simulated events to extract dynamical correlation. The data exhibit two-particle long-range correlation in emission angle space at all energies.     

Allocating modelling resources in distributed model management systems

Due to the growing popularity of distributed computing systems and the increased level of modelling activity in most organizations, significant benefits can be realized through the implementation of distributed model management systems (DMMS). These systems can be defined as a collection of logically related modelling resources distributed over a computer network. In several ways, functions of DMMS are isomorphic to those of distributed database systems. In general, this paper examines issues viewed as central to the development of distributed model bases (DMB). Several criteria relevant to the overall DMB design problem are discussed. Specifically, this paper focuses on the problem of distributing decision models and tools (solvers), henceforth referred to as theModel Allocation Problem (MAP), to individual computing sites in a geographically dispersed organization. In this research, a 0/1 integer programming model is formulated for the MAP, and an efficient dual ascent heuristic is proposed. Our extensive computational study shows in most instances heuristic-generated solutions which are guaranteed to be within 1.5–7% of optimality. Further, even problems with 420 integer and 160,000 continuous variables took no more than 60 seconds on an IBM 3090-600E computer.     

NMR studies of silver ion and 1,3,5-trinitrobenzene complexes

A study, using NMR techniques, of the propensity of complex formation of silver ions with hydrocarbons and heterocyclic compounds containing nitrogen, oxygen and sulphur is described. The results are compared with similar data using 1,3,5-trinitrobenzene as an acceptor. The differences in the two sets of data are interpreted in terms of localized and delocalized interactions in the formation of weak complexes.