Free Radicals in Superfluid Liquid Helium Nanodroplets: A Pyrolysis Source for the Production of Propargyl Radical

An effusive pyrolysis source is described for generating a continuous beam of radicals under conditions appropriate for the helium droplet pick-up method. Rotationally resolved spectra are reported for the $\nu_1$ vibrational mode of the propargyl radical in helium droplets at 3322.15 cm$^{-1}$. Stark spectra are also recorded that allow for the first experimental determination of the permanent electric dipole moment of propargyl, namely -0.150 D and -0.148 D for ground and excited state, respectively, in good agreement with previously reported ab initio results of -0.14 D [1]. The infrared spectrum of the $\nu_1$ mode of propargyl-bromide is also reported. The future application of these methods for the production of novel radical clusters is discussed

Initial stages of GaN/GaAs(100) growth by metalorganic chemical vapor deposition

A study of GaN buffers grown by metalorganic chemical vapor deposition on (001) GaAs substrates was performed. Nucleation images obtained by atomic force microscopy (AFM) were employed to investigate the growth temperature, growth time, and growth rate dependence of the nucleation mechanisms. The growth mode corresponds to two‐dimensional (2D) island nucleation at low temperatures, while three‐dimensional (3D) island growth is observed at high temperatures. Large grain sizes and good surface coverage was obtained for 3 min growth. Higher growth rates help nucleation on mismatched substrate and promote the 2D growth mode. GaN films 0.5 μm thick were grown on different buffers using a two‐step technique as suggested by the AFM analysis and their morphology was found to improve when grown on optimized buffers. © 1996 American Institute of Physics.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70328/2/JAPIAU-80-3-1823-1.pd

Electron penetration in the nucleus and its effect on the quadrupole interaction

A series expansion of the interaction between a nucleus and its surrounding electron distribution provides terms that are well-known in the study of hyperfine interactions: the familiar quadrupole interaction and the less familiar hexadecapole interaction. If the penetration of electrons into the nucleus is taken into account, various corrections to these multipole interactions appear. The best known one is a scalar correction related to the isotope shift and the isomer shift. This paper discusses a related tensor correction, which modifies the quadrupole interaction if electrons penetrate the nucleus: the quadrupole shift. We describe the mathematical formalism and provide first-principles calculations of the quadrupole shift for a large set of solids. Fully relativistic calculations that explicitly take a finite nucleus into account turn out to be mandatory. Our analysis shows that the quadrupole shift becomes appreciably large for heavy elements. Implications for experimental high-precision studies of quadrupole interactions and quadrupole moment ratios are discussed. A literature review of other small quadrupole-like effects is presented as well

Genetic Studies of Sulfadiazine-resistant and Methionine-requiring \u3cem\u3eNeisseria\u3c/em\u3e Isolated From Clinical Material

Deoxyribonucleate (DNA) preparations were extracted from Neisseria meningitidis (four isolates from spinal fluid and blood) and N. gonorrhoeae strains, all of which were resistant to sulfadiazine upon primary isolation. These DNA preparations, together with others from in vitro mutants of N. meningitidis and N. perflava, were examined in transformation tests by using as recipient a drug-susceptible strain of N. meningitidis (Ne 15 Sul-s Met+) which was able to grow in a methionine-free defined medium. The sulfadiazine resistance typical of each donor was introduced into the uniform constitution of this recipient. Production of p-aminobenzoic acid was not significantly altered thereby. Transformants elicited by DNA from the N. meningitidis clinical isolates were resistant to at least 200 μg of sulfadiazine/ml, and did not show a requirement for methionine (Sul-r Met+). DNA from six strains of N. gonorrhoeae, which were isolated during the period of therapeutic use of sulfonamides, conveyed lower degrees of resistance and, invariably, a concurrent methionine requirement (Sul-r/Met−). The requirement of these transformants, and that of in vitro mutants selected on sulfadiazine-agar, was satisfied by methionine, but not by vitamin B12, homocysteine, cystathionine, homoserine, or cysteine. Sul-r Met+ and Sul-r/Met− loci could coexist in the same genome, but were segregated during transformation. On the other hand, the dual Sul-r/Met− properties were not separated by recombination, but were eliminated together. DNA from various Sul-r/Met− clones tested against recipients having nonidentical Sul-r/Met− mutant sites yielded Sul-s Met+ transformants. The met locus involved is genetically complex, and will be a valuable tool for studies of genetic fine structure of members of Neisseria, and of genetic homology between species

Thermodynamic Behavior of a Model Covalent Material Described by the Environment-Dependent Interatomic Potential

Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon exhibits a range of unusual properties typically found in more complex materials, such as the existence of two structurally distinct disordered phases, a density decrease upon melting of the low-temperature amorphous phase, and negative thermal expansion coefficients for both the crystal (at high temperatures) and the amorphous phase (at all temperatures). Structural differences between the two disordered phases also lead to a first-order transition between them, which suggests the existence of a second critical point, as is believed to exist for amorphous forms of frozen water. For EDIP-Si, however, the unusual behavior is associated not only with the open nature of tetrahedral bonding but also with a competition between four-fold (covalent) and five-fold (metallic) coordination. The unusual behavior of the model and its unique ability to simulation the liquid/amorphous transition on molecular-dynamics time scales make it a suitable prototype for fundamental studies of anomalous thermodynamics in disordeered systems.Comment: 48 pages (double-spaced), 13 figure

The planarity of the stickface motion in the field hockey hit

The field hockey hit is an important but poorly understood stroke. This study investigated the planarity of the stickface motion during the downswing, in order to better characterise the kinematics and to assess the suitability of planar pendulum models for simulating the hit. Thirteen experienced female field hockey players were filmed executing hits with a single approach step, and the kinematics of the centre of the stickface were measured. A method was developed for identifying how far back from impact the stickface motion was planar. Orthogonal least-squares regression was used to determine best-fit planes for sections of the stickface path of varying length, each of which ended at impact, and these sections were considered planar if the mean residual between the stickface path and the fitted plane was less than 0.25% of the distance traveled by the stickface during that period. On average the stickface motion was planar for the last 83±12% of its downswing path, with the length of the planar section ranging from 1.85 m to 2.70 m. The suitability of a planar model for the stickface motion was supported, but further investigation of the stick and arm kinematics is warranted

The planarity of the stickface motion in the field hockey hit

The field hockey hit is an important but poorly understood stroke. This study investigated the planarity of the stickface motion during the downswing, in order to better characterise the kinematics and to assess the suitability of planar pendulum models for simulating the hit. Thirteen experienced female field hockey players were filmed executing hits with a single approach step, and the kinematics of the centre of the stickface were measured. A method was developed for identifying how far back from impact the stickface motion was planar. Orthogonal least-squares regression was used to determine best-fit planes for sections of the stickface path of varying length, each of which ended at impact, and these sections were considered planar if the mean residual between the stickface path and the fitted plane was less than 0.25% of the distance traveled by the stickface during that period. On average the stickface motion was planar for the last 83±12% of its downswing path, with the length of the planar section ranging from 1.85 m to 2.70 m. The suitability of a planar model for the stickface motion was supported, but further investigation of the stick and arm kinematics is warranted

Discovering universal statistical laws of complex networks

Different network models have been suggested for the topology underlying complex interactions in natural systems. These models are aimed at replicating specific statistical features encountered in real-world networks. However, it is rarely considered to which degree the results obtained for one particular network class can be extrapolated to real-world networks. We address this issue by comparing different classical and more recently developed network models with respect to their generalisation power, which we identify with large structural variability and absence of constraints imposed by the construction scheme. After having identified the most variable networks, we address the issue of which constraints are common to all network classes and are thus suitable candidates for being generic statistical laws of complex networks. In fact, we find that generic, not model-related dependencies between different network characteristics do exist. This allows, for instance, to infer global features from local ones using regression models trained on networks with high generalisation power. Our results confirm and extend previous findings regarding the synchronisation properties of neural networks. Our method seems especially relevant for large networks, which are difficult to map completely, like the neural networks in the brain. The structure of such large networks cannot be fully sampled with the present technology. Our approach provides a method to estimate global properties of under-sampled networks with good approximation. Finally, we demonstrate on three different data sets (C. elegans' neuronal network, R. prowazekii's metabolic network, and a network of synonyms extracted from Roget's Thesaurus) that real-world networks have statistical relations compatible with those obtained using regression models