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21.
Manju Rajeswaran Thomas N. Blanton David R. Whitcomb Nicholas Zumbulyadis Brian J. Antalek Scott T. Misture 《Journal of solid state chemistry》2006,179(4):1053-1059
In continuation of our interest in solid-state structures of silver complexes of photographic importance, the structure for silver benzotriazole (AgBZT), has now been obtained. The preferred method for solving crystal structures is via single-crystal X-ray diffraction (XRD). However, for some materials, growing single crystals of appropriate size and quality is often difficult or even impossible. AgBZT is an example of such a silver complex with poor solubility. The usual routes to preparing single crystals using recrystallization from a cooperating solvent resulted in polycrystalline powder samples. We propose a crystal structure for AgBZT, solved from synchrotron X-ray powder diffraction data, using a direct-space Monte Carlo simulated annealing approach. AgBZT crystals are monoclinic, (P21/c), with unit cell dimensions, a=14.8052(3) Å, b=3.7498(4) Å, c=12.3495(12) Å, and β=114.200(6)°. The AgBZT complex is constructed from all three of the Benzotriazole (BZT) nitrogens bonding to a separate silver atom. As a consequence of this bonding mode, the structure is a highly cross-linked, coordination polymer. 相似文献
22.
23.
Three fixtures for conducting laboratory fretting fatigue tests are described and their respective testing methods and the
results of the analysis are compared. Each of these fixtures has been used to investigate the effects of various parameters
of interest in fretting fatigue. These fixtures include a unique apparatus in which all load applied to the specimen is transferred
to the fretting pads, an apparatus similar to many found in the literature where partial load transfer occurs across the pads,
and a simplified dovetail fixture in which the clamping load, P, and the shear load, Q, are varied in phase. Select test conditions from prior experiments performed on identical material and resulting in similar
lives ranging from one to ten million cycles from these fixtures are identified. The various testing conditions were used
to compute the unique stress field for each case. The resulting contact stresses were used to calculate crack initiation based
criteria, and to calculate stress intensity factors. The three fixtures were shown to be able to accommodate a range of loads,
fretting pad contours, and specimen geometries that produced a variety of stress fields. A crack-initiation-based criterion
was shown to predict the failure lives of thinner specimens accurately. The stress intensity factor calculations showed the
possibility of a crack arresting for a stress field that decays rapidly and the possibility of a local minimum for K as a function of depth. The fixtures are shown to be complementary in generating data for development of robust fretting
fatigue models that use these criteria. 相似文献
24.
Nicholas A. Loehr 《Discrete Mathematics》2004,280(1-3):233-236
This note generalizes André's reflection principle to give a new combinatorial proof of a formula for the number of lattice paths lying within certain trapezoids. 相似文献
25.
Arndt Meier Aaron Goldman Thomas M. Stephen Nicholas B. Jones 《Journal of Quantitative Spectroscopy & Radiative Transfer》2004,83(1):109-113
High-resolution ground-based infrared solar spectra are routinely recorded at the Network for the Detection of Stratospheric Change (NDSC) stations. These data sets play a key role in providing a long-term record of atmospheric composition and their links to climate change. The analysis of observed infrared spectra involves comparison to a computer-modeled atmosphere where knowledge of the air mass distribution is an essential component. This note summarises improvements made to an existing and widely used computer code (FSCATM) to perform refractive ray-tracing and calculation of the air mass distribution. Changes were made towards higher vertical resolution in the troposphere and increased numerical precision. The revised FSCATM improves the analysis of infrared spectra mostly through the more accurate representation of the temperature profile. Air mass differences with respect to earlier versions are documented and are typically <0.7%, exceptions being extreme cases of inversion layers. The current version provides ray tracing and air mass calculations for any terrestrial observation site. The output files are reported in a format compatible with the SFIT and SFIT2 retrieval algorithms, which are widely used for NDSC infrared atmospheric studies. The improved computer code, documentation, reference profiles, and test cases are available electronically. 相似文献
26.
Nicholas I. M. Gould Dominique Orban Annick Sartenaer Phillipe L. Toint 《4OR: A Quarterly Journal of Operations Research》2005,3(3):227-241
In this paper, we examine the sensitivity of trust-region algorithms on the parameters related to the step acceptance and
update of the trust region. We show, in the context of unconstrained programming, that the numerical efficiency of these algorithms
can easily be improved by choosing appropriate parameters. Recommended ranges of values for these parameters are exhibited
on the basis of extensive numerical tests.
MSC classification:
65K05, 90C26, 90C30 相似文献
27.
Multi-valued solutions are constructed for 2 × 2 first-order systems using a generalization of the hodograph transformation. The solution is found as a complex analytic function on a complex Riemann surface for which the branch points move as part of the solution. The branch point singularities are envelopes for the characteristics and thus move at the characteristic speeds. We perform an analysis of stability of these singularities with respect to perturbations of the initial data. The generic singularity types are folds, cusps, and nondegenerate umbilic points with non-zero 3-jet. An isolated singularity is generically a square root branch point corresponding to a fold. Two types of collisions between singularities are generic: At a “tangential” collision between two singularities moving at the same characteristic speed, a cube root branch point is formed, corresponding to a cusp. A “non-tangential” collision, between two square root branch points moving at different characteristic speeds, remains a square root branch point at the collision and corresponds to a nondegenerate umbilic point. These results are also valid for a diagonalizable n-th order system for which there are exactly two speeds. © 1993 John Wiley & Sons, Inc. 相似文献
28.
Nicholas J. Curro Charles P. Slichter 《Journal of magnetic resonance (San Diego, Calif. : 1997)》1998,130(2):186-194
Measurement ofT2G, the Gaussian component of the spin-echo envelope of planar Cu nuclei in high-temperature superconductors, gives important information about the real part of the Cu electron spin susceptibility. In the traditional picture of the planar Cu echo decay, the internuclear coupling is assumed to remain static with respect to spin–lattice relaxation and mutual exchange fluctuations. In some circumstances, however, this assumption breaks down. We calculate the internuclear corrections arising from spin–lattice relaxation to the conventional theory ofT2Gand show thatT2Gcan be easily corrected for these effects. We argue that mutual exchanges due to the perpendicular indirect couplings are suppressed in these materials. For YBa2Cu4O8, we find a correction on the order of 10% inT2Gand using the corrected values we find that the isotope ratio63T2G/65T2Gagrees with theory. 相似文献
29.
We examine asymptotically periodic density evolution in one-dimensional maps perturbed by noise, associating the macroscopic state of these dynamical systems with a phase space density. For asymptotically periodic systems density evolution becomes periodic in time, as do some macroscopic properties calculated from them. The general formalism of asymptotic periodicity is examined and used to calculate time correlations along trajectories of these maps as well as their limiting conditional entropy. The time correlation is shown to naturally decouple into periodic and stochastic components. Finally, asymptotic periodicity is studied in a noise-perturbed piecewise linear map, focusing on how the variation of noise amplitude can cause a transition from asymptotic periodicity to asymptotic stability in the density evolution of this system. 相似文献
30.
Nicholas W. DeLuca Yossef A. Elabd 《Journal of Polymer Science.Polymer Physics》2006,44(16):2201-2225
The direct methanol fuel cell (DMFC) has the potential to replace lithium‐ion rechargeable batteries in portable electronic devices, but currently experiences significant power density and efficiency losses due to high methanol crossover through polymer electrolyte membranes (PEMs). Numerous publications document the synthesis and characterization of new PEMs for the DMFC. This article reviews this research, transport phenomena in PEMs, and experimental techniques used to evaluate new PEMs for the DMFC. Although many PEMs do not show significant improvements over Nafion®, the benchmark PEM in DMFCs, experimental results show that several new PEMs exhibit lower methanol crossover at similar proton conductivities and/or higher DMFC power densities. These results and recommendations for future research are discussed. © 2006 Wiley Periodicals, Inc. J Polym Sci Parts B: Polym Phys 44: 2201–2225, 2006 相似文献