Transition-metal interactions in aluminum-rich intermetallics

The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems treated at the pair-potential level, one practical limitation is a transition-metal over-binding that creates an unrealistic TM-TM attraction at short separations in the absence of balancing many-body contributions. Even with this limitation, the GPT pair potentials have been used effectively in total-energy calculations for Al-TM systems with TM atoms at separations greater than 4 AA. An additional potential term may be added for systems with shorter TM atom separations, formally folding repulsive contributions of the three- and higher-body interactions into the pair potentials, resulting in structure-dependent TM-TM potentials. Towards this end, we have performed numerical ab-initio total-energy calculations using VASP (Vienna Ab Initio Simulation Package) for an Al-Co-Ni compound in a particular quasicrystalline approximant structure. The results allow us to fit a short-ranged, many-body correction of the form a(r_0/r)^{b} to the GPT pair potentials for Co-Co, Co-Ni, and Ni-Ni interactions.Comment: 18 pages, 5 figures, submitted to PR

Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations

We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0-400 GPa, using density functional theory (DFT) in the projector augmented wave (PAW) implementation. We use the ``reference coexistence'' technique to overcome uncertainties inherent in earlier DFT calculations of the melting curve of Mo. Our calculated melting curve agrees well with experiment at ambient pressure and is consistent with shock data at high pressure, but does not agree with the high pressure melting curve from static compression experiments. Our calculated P(V) and T(P) Hugoniot relations agree well with shock measurements. We use calculations of phonon dispersion relations as a function of pressure to eliminate some possible interpretations of the solid-solid phase transition observed in shock experiments on Mo.Comment: 8 pages, 6 figure

HI ``Tails'' from Cometary Globules in IC1396

IC 1396 is a relatively nearby (750 pc), large (>2 deg), HII region ionized by a single O6.5V star and containing bright-rimmed cometary globules. We have made the first arcmin resolution images of atomic hydrogen toward IC 1396, and have found remarkable ``tail''-like structures associated with some of the globules and extending up to 6.5 pc radially away from the central ionizing star. These HI ``tails'' may be material which has been ablated from the globule through ionization and/or photodissociation and then accelerated away from the globule by the stellar wind, but which has since drifted into the ``shadow'' of the globules. This report presents the first results of the Galactic Plane Survey Project recently begun by the Dominion Radio Astrophysical Observatory.Comment: 11 pages, 5 postscript figures, uses aaspp4.sty macros, submitted in uuencoded gzipped tar format, accepted for publication in Astrophysical Journal Letters, colour figures available at http://www.drao.nrc.ca/~schieven/news_sep95/ic1396.htm

C-reactive protein binds to alphaIIbbeta3.

C-reactive protein binds to alphaIIbbeta3

A LEGO TM Dynamic Force "Macroscope"

We describe the design, construction, and operation of a LEGO TM model of a dynamic force microscope, using magnetic forces as an analog of interatomic interactions. The "macroscope" provides key insights into the operating principles of frequency modulated non-contact atomic force microscopy-currently the scanning probe technique of choice for maximal (i.e. submolecular) spatial resolution-and is therefore particularly suited as a project or demonstration for nanoscience education at the undergraduate or postgraduate level

Differences in demographic composition and in work, social, and functional limitations among the populations with unipolar depression and bipolar disorder: results from a nationally representative sample

<p>Abstract</p> <p>Background</p> <p>Existing literature on mood disorders suggests that the demographic distribution of bipolar disorder may differ from that of unipolar depression, and also that bipolar disorder may be especially disruptive to personal functioning. Yet, few studies have directly compared the populations with unipolar depressive and bipolar disorders, whether in terms of demographic characteristics or personal limitations. Furthermore, studies have generally examined work-related costs, without fully investigating the extensive personal limitations associated with diagnoses of specific mood disorders. The purpose of the present study is to compare, at a national level, the demographic characteristics, work productivity, and personal limitations among individuals diagnosed with bipolar disorder versus those diagnosed with unipolar depressive disorders and no mood disorder.</p> <p>Methods</p> <p>The Medical Expenditure Panel Survey 2004-2006, a nationally representative survey of the civilian, non-institutionalized U.S. population, was used to identify individuals diagnosed with bipolar disorder and unipolar depressive disorders based on ICD-9 classifications. Outcomes of interest were indirect costs, including work productivity and personal limitations.</p> <p>Results</p> <p>Compared to those with depression and no mood disorder, higher proportions of the population with bipolar disorder were poor, living alone, and not married. Also, the bipolar disorder population had higher rates of unemployment and social, cognitive, work, and household limitations than the depressed population. In multivariate models, patients with bipolar disorder or depression were more likely to be unemployed, miss work, and have social, cognitive, physical, and household limitations than those with no mood disorder. Notably, findings indicated particularly high costs for bipolar disorder, even beyond depression, with especially large differences in odds ratios for non-employment (4.6 for bipolar disorder versus 1.9 for depression, with differences varying by gender), social limitations (5.17 versus 2.85), cognitive limitations (10.78 versus 3.97), and work limitations (6.71 versus 3.19).</p> <p>Conclusion</p> <p>The bipolar disorder population is distinctly more vulnerable than the population with depressive disorder, with evidence of fewer personal resources, lower work productivity, and greater personal limitations. More systematic analysis of the availability and quality of care for patients with bipolar disorder is encouraged to identify effectively tailored treatment interventions and maximize cost containment.</p