Hole polaron formation and migration in olivine phosphate materials

By combining first principles calculations and experimental XPS measurements, we investigate the electronic structure of potential Li-ion battery cathode materials LiMPO4 (M=Mn,Fe,Co,Ni) to uncover the underlying mechanisms that determine small hole polaron formation and migration. We show that small hole polaron formation depends on features in the electronic structure near the valence-band maximum and that, calculationally, these features depend on the methodology chosen for dealing with the correlated nature of the transition-metal d-derived states in these systems. Comparison with experiment reveals that a hybrid functional approach is superior to GGA+U in correctly reproducing the XPS spectra. Using this approach we find that LiNiPO4 cannot support small hole polarons, but that the other three compounds can. The migration barrier is determined mainly by the strong or weak bonding nature of the states at the top of the valence band, resulting in a substantially higher barrier for LiMnPO4 than for LiCoPO4 or LiFePO4

Traveling-wave tube circuit simplifies microwave relay

Circuit with a sawtooth-modulated traveling-wave tube, which acts as a frequency converter and as an amplifier, simplifies microwave transmission. Lower power losses and reduced size and weight are also realized in this circuit

A relationship between the integrated CO intensity and the radio continuum emission in spiral galaxies

In an effort to determine the role played by cosmic ray electrons and interstellar radiation fields on the collapse of molecular clouds, a survey was begun to investigate the relationship between the radio continuum brightness emission and the integrated CO intensity in spiral galaxies. The investigation was done on two scales; a global galaxy to galaxy comparison of integrated disk values, and a ring-averaged study over the disks of individual galaxies. For the large-scale survey, radio continuum flux densities integrated over the full disk at 1.49 GHz were taken from Condon (1987) and the total CO fluxes were taken from Verter (1985). The galaxies with values included in the two catalogs are displayed. It can be seen that a good correlation exists between the integrated CO emission and radio continuum emission

High resolution imaging of the Venus night side using a Rockwell 128x128 HgCdTe array

The University of Hawaii operates an infrared camera with a 128x128 HgCdTe detector array on loan from JPL's High Resolution Imaging Spectrometer (HIRIS) project. The characteristics of this camera system are discussed. The infrared camera was used to obtain images of the night side of Venus prior to and after inferior conjunction in 1988. The images confirm Allen and Crawford's (1984) discovery of bright features on the dark hemisphere of Venus visible in the H and K bands. Our images of these features are the best obtained to date. Researchers derive a pseudo rotation period of 6.5 days for these features and 1.74 microns brightness temperatures between 425 K and 480 K. The features are produced by nonuniform absorption in the middle cloud layer (47 to 57 Km altitude) of thermal radiation from the lower Venus atmosphere (20 to 30 Km altitude). A more detailed analysis of the data is in progress

A high resolution CO map of M51

Observations of the CO (1-0) emission in two fields of M51 were taken with the Berkeley-Illinois-Maryland Array at Hat Creek, California from May 1988 to February 1989. When combined with two previously observed fields (Lo et al. 1988), a complete map of the central 5 minute x 4 minute at a resolution of 7 seconds x 10 seconds was obtained. The project is part of an ongoing high-resolution survey of the molecular, atomic, and ionized gas distributions in nearby spiral galaxies. The two recently observed fields can be compared to the results of the interferometric study of Vogel et al. (1988 - hereafter VKS). Since the shortest spacing in the current survey is shorter than that of VKS, researchers expect to see more of the extended emission. This is evident when comparing the width of the spiral arms in each survey; ours are a bit broader. While some of the peaks in this region correspond to the peaks in VKS, several of them do not. These discrepancies are probably because of the low signal to noise inherent in observations of this nature. Single-dish maps are currently being readied for inclusion with the interferometer data. These will help fill the short-spacing hole in the UV plane, and serve to recover the flux missing from the interferometer maps

Langevin Dynamics simulations of a 2-dimensional colloidal crystal under confinement and shear

Langevin Dynamics simulations are used to study the effect of shear on a two-dimensional colloidal crystal confined by structured parallel walls. When walls are sheared very slowly, only two or three crystalline layers next to the walls move along with them, while the inner layers of the crystal are only slightly tilted. At higher shear velocities, this inner part of the crystal breaks into several pieces with different orientations. The velocity profile across the slit is reminiscent of shear-banding in flowing soft materials, where liquid and solid regions coexist; the difference, however, is that in the latter case the solid regions are glassy while here they are crystalline. At even higher shear velocities, the effect of the shearing becomes smaller again. Also the effective temperature near the walls (deduced from the velocity distributions of the particles) decreases again when the wall velocity gets very large. When the walls are placed closer together, thereby introducing a misfit, a structure containing a soliton staircase arises in simulations without shear. Introducing shear increases the disorder in these systems until no solitons are visible any more. Instead, similar structures like in the case without misfit result. At high shear rates, configurations where the incommensurability of the crystalline structure is compensated by the creation of holes become relevant

Shear flow pumping in open microfluidic systems

We propose to drive open microfluidic systems by shear in a covering fluid layer, e.g., oil covering water-filled chemical channels. The advantages as compared to other means of pumping are simpler forcing and prevention of evaporation of volatile components. We calculate the expected throughput for straight channels and show that devices can be built with off-the-shelf technology. Molecular dynamics simulations suggest that this concept is scalable down to the nanoscale.Comment: 4 pages, 4 figure, submitted to Phys. Rev. Let