Transient innermolecular carbene-hemicarcerand complex of fluorophenylcarbene

Laser flash photolysis of fluorophenyldiazirine incarcerated in hemicarcerand 2 affords incarcerated fluorophenylcarbene [2⊙3], which forms a metastable, innermolecular π-complex with aryl moieties of 2. This carbene complex can be observed spectroscopically. Extensive computational studies provide insights into the structure, spectroscopy, energetics, and kinetics of the 2⊙3 carbene complex.     

Isotope effects in electron spin resonance: the negative ion of cyclo-octatetraene-1-d

Replacement of one hydrogen atom by deuterium in the negative ion of cyclo-octatetraene, makes no significant difference to the electron spin densities at the hydrogen nuclei. This result contrasts with a recent observation that mono-deuteration produces a measurable change in the spin distribution in the benzene negative ion. The difference between the two systems is interpreted in terms of the Jahn-Teller effect.     

Higgs boson cosmology

The discovery of the Standard Model Higgs boson opens up a range of speculative cosmological scenarios, from the formation of structure in the early universe immediately after the big bang, to relics from the electroweak phase transition one nanosecond after the big bang, on to the end of the present-day universe through vacuum decay. Higgs physics is wide ranging, and gives an impetus to go beyond the Standard Models of particle physics and cosmology to explore the physics of ultra-high energies and quantum gravity.     

DYNGA: a general purpose QM-MM-MD program. I. Application to water

We present a general purpose QM-MM-MD engine (DYNGA) designed to test alternative hybrid Hamiltonians geared towards the treatment of problems of interest in structural biology including the use of experimental data constraints. In this first presentation we use DYNGA to explore the behaviour of a traditional QM-MM approach in the treatment of the water—water interaction. We find the potential energy hypersurface for the water dimer computed with the HF 4–31G*/TIP3P hybrid Hamiltonian tends to be too flat. We also explore the effect of using traditional QM-MM techniques on proton wires and conclude there is a need for improvement, possibly addressed by using polarizable force fields.     

Ultrahigh pressure equation of state of tantalum to 310 GPa

ABSTRACT

The isothermal compression of transition metal tantalum (Ta) was studied in a diamond anvil cell by X-ray diffraction utilizing rhenium (Re) and gold (Au) as internal X-ray pressure standards. The Re pressure marker was employed during non-hydrostatic compression to pressures up to 310?GPa while the Au pressure marker was used during quasi-hydrostatic compression in a neon pressure-transmitting medium to 80?GPa. Two ultra-high pressure experiments were conducted on Ta and Re mixtures utilizing focused-ion beam machined toroidal diamond anvils with central flats varying from 8 microns to 16 microns in diameter. The Ta metal was observed to be stable in the body-centered-cubic phase to a volume compression V/V₀?=?0.581. The measured equations of state (EOS) of Ta using two different calibrations of the Re pressure marker are compared with the ambient temperature isotherm derived from shock compression data. We provide a detailed analysis of EOS fit parameters for Ta under quasi-hydrostatic and non-hydrostatic conditions.     

A laser scanning system for the measurement of facial surface morphology

A no contact system based on laser scanning, which records 20 000 facial surface coordinates with a dynamic resolution of approximately 0·9mm in 30s, has been developed for the study of facial changes following facial reconstructive surgery. Individual profiles are recorded with a resolution better than 0·5mm. The system is based on the analysis of the output from a video camera which obliquely views a laser line projected vertically onto the face. In order to sample the whole face, the subject sits on a chair which rotates at six degrees per second under computer control. Examples of applications of the system are given.     

Multiplexing Techniques for Noninterferometric Optical Point-Sensor Networks: A Review

This article presents a review of the strategies that have been both demonstrated and proposed for the multiplexing of multiple noninterferometric optical fiber point sensors to form a sensor network. The focus, which avoids consideration of interferometric sensor types, enables discussion of conventional multiplexing tech niques, namely, spatial, time division, frequency division, and wavelength division prior to dealing with combined or hybrid schemes, which exhibit the potential for increased multiplexing gain. Specific advantages and potential drawbacks of the different strategies are provided together with an indication of the number of point sensors that each multiplexing scheme can support.     

Picosecond transient photoreflectance measurements of ion-implanted GaAs

We have used picosecond transient reflectance techniques to measure the near-surface characteristics of ion-implanted GaAs. These non-destructive laser-based diagnostic techniques allow measurement of the modification of near-surface properties at relatively low implant fluences. Photothermal phenomena dominate these results and yield important information concerning the extent of implant-induced materials modification.     

Bose–Einstein condensation in atomic hydrogen

The addition of atomic hydrogen to the set of gases in which Bose–Einstein condensation can be observed expands the range of parameters over which this remarkable phenomenon can be studied. Hydrogen, with the lowest atomic mass, has the highest transition temperature, 50 μK in our experiments. The very weak interaction between the atoms results in a high ratio of the condensate to normal gas densities, even at modest condensate fractions. Using cryogenic rather than laser precooling generates large condensates. Finally, two-photon spectroscopy is introduced as a versatile probe of the phase transition: condensation in real space is manifested by the appearance of a high-density component in the gas, condensation in momentum space is readily apparent in the momentum distribution, and the phase transition line can be delineated by following the evolution of the density of the normal component.     

Random cluster models for icosahedral phase alloys

We present results on computer generated random cluster models for icosahedral phase alloys. By the application of physically motivated constraints on the local atomic cluster configurations, the model achieves long range translational order comparable to, or greater than, that found in simple icosahedral alloys such asi-AlMnSi andi-AlLiCu. The parallel and perpendicular space structures are explored in some detail including a comparison with experimental powder diffraction patterns and an examination of the phason fluctuations. The latter are shown to decrease markedly with increased constraint on the local environment, but the remaining phason strain would seem finally not to vanish with increasing model size. Our model is compared with other cluster models for quasicrystalline materials and is shown to possess a density and connectivity very close to those of Elser's (best) model and those predicted by Henley for a canonical tiling. The relation of this model to recently discovered icosahedral phase alloys with resolution limited diffraction peak widths, which are essentially free of phason strain, is also discussed.