Rotational bands in 167Hf

High-spin states in ¹⁶⁷Hf, populated in the ¹⁴¹Pr(³⁰Si, p3n)¹⁶⁷Hf reaction, have been studied using the nordball Ge detector array. Three rotational cascades have been observed for the first time and the previously-known level scheme has been extended to significantly higher spin. Band-crossing effects are discussed within the framework of Woods-Saxon cranking calculations and are found to be in good agreement. Received: 9 April 1999 / Revised version: 13 May 1999     

The effect of ozone and high temperature on polymer degradation in polymer core composite conductors

The next generation High Temperature Low Sag Polymer Core Composite Conductors can experience harsh in-service environments including high temperature and highly concentrated ozone. In some extreme cases, it is possible that the conductors will experience temperatures of up to 180 °C and ozone concentrations as high as 1% (10,000 ppm). Therefore, the goal of this work was to understand the degradation mechanisms in a high temperature epoxy, which could be used in the conductors at temperatures as high as 140 °C in the presence of 1% ozone. Then, the combined aging data for the epoxy were compared to the aging results from room temperature aging in 1% ozone and aging in air at 140 and 180 °C. In addition, important but limited aging testing was also performed on a set of PCCC rods to verify some of the observations from the neat resin experiments. It was determined that the mass loss, volumetric shrinkage, and flexural strength reductions of the epoxy aged at 140 °C were driven almost entirely by temperature and that the effect of 1% ozone at that temperature can be thought of as insignificant for aging times up to 90 days. The composite rods displayed postcuring at 140 °C and were also unaffected by the presence of ozone at aging time lengths of 90 days. Up to this time aging the polymer and composite specimens in atmospheric 180 °C resulted in the most drastic changes in both physical and mechanical properties, except viscoelasticity where the polymer specimens aged at 140 °C with 1% ozone showed the greatest increase in the storage modulus. The least amount of degradation to the materials was found to occur after aging at room temperature in 1% ozone.     

Synthesis and reactivity of the methoxozirconium pentatungstate (nBu4N)6[{(mu-MeO)ZrW5O18}2]: insights into proton-transfer reactions, solution dynamics, and assembly of {ZrW5O18}2- building blocks

The methoxo-bridged, dimeric, ZrIV-substituted Lindqvist-type polyoxometalate (POM) (nBu4N)6[{(mu-MeO)ZrW5O18}2], (TBA)61, has been synthesized by stoichiometric hydrolysis of Zr(OnPr)4, [{Zr(OiPr)3(mu-OnPr)(iPrOH)}2], or [{Zr(OiPr)4(iPrOH)}2] and [{WO(OMe)4}2] in the presence of (nBu4N)2WO4, providing access to the systematic nonaqueous chemistry of ZrW5 POMs for the first time and an efficient route to 17O-enriched samples for 17O NMR studies. 1H NMR provided no evidence for dissociation of 1 in solution, although exchange with MeOH was shown to be slow by an EXSY study. Reactions with HX at elevated temperatures gave a range of anions [{XZrW5O18}n]3n- (X = OH, 3; OPh, 4; OC6H4Me-4, 5; OC6H4(CHO)-2, 6; acac, 7; OAc, 8), where n = 2 for 3 and n = 1 for 4-8, while 1H and 17O NMR studies of hydrolysis of 1 revealed the formation of an intermediate [(mu-MeO)(mu-HO)(ZrW5O18)2]6-. Electrospray ionization mass spectrometry of 1 and 3 illustrated the robust nature of the ZrW5O18 framework, and X-ray crystal structure determinations showed that steric interactions between ligands X and the ZrW5O18 surface are important. The coordination number of Zr is restricted to six in aryloxides 4 and 5, while seven-coordination is achieved in the chelate complexes 6-8. Given the inert nature of the methoxo bridges in 1, protonation of ZrOW sites is proposed as a possible step in reactions with HX. The diphenylphosphinate ligand in [(Ph2PO2)ZrW5O18]3- was found to be labile and upon attempted recrystallization the aggregate [(mu3-HO)2(ZrW5O18)3H]7- 9 was formed, which was found to be protonated at ZrOZr and ZrOW sites. This work demonstrates the flexibility of the {ZrW5O18}2- core as a molecular platform for modeling catalysis by tungstated zirconia surfaces.     

Quantum mechanical study of a reaction path bifurcation model

The feasibility of close coupling techniques for bifurcation processes is investigated using a simple model. Density contours and a flux map illustrate the bifurcation process. The relevance of this study to the theory of three-dimensional chemical reactions is discussed.     

Qualitative Analyse

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Ohne Zusammenfassung     

A rate equation method for the sequential double ionisation, including autoionising state excitation, of a noble gas

A set of rate equations have been tested against a more robust set of Time-Dependent Density Matrix (TDDM) equations [D. P. W. Middleton, L. A. A. Nikolopoulos, J. Mod. Opti. 59, 1650 (2012)] by using them to determine the populations of ion species and autoionising states (AIS) in noble gas atoms when interacting with a strong external field. Two field shapes were tested here — sinusoidal and square — and a variety of pulse characteristics were examined, i.e. intensity, duration and photon energy, for the neon atomic system. It was found that the rate equations were sufficiently accurate only when the external field is way off-resonant with the AIS. Moreover, analytical solutions of the rate equations in the square pulse case agree with the numerical solutions for a time-dependent pulse containing many cycles. An attempt to model a stochastic field was also made and it was found that the use of such a field diminished and broadened the ion yield ratio due to the presence of an added bandwidth.     

Zero- and low-temperature behavior of the two-dimensional ±J Ising spin glass

Scaling arguments and precise simulations are used to study the square lattice ±J Ising spin glass, a prototypical model for glassy systems. Droplet theory explains, and our numerical results show, entropically stabilized long-range spin-glass order at zero temperature, which resembles the energetic stabilization of long-range order in higher-dimensional models at finite temperature. At low temperature, a temperature-dependent crossover length scale is used to predict the power-law dependence on temperature of the heat capacity and clarify the importance of disorder distributions.