The conformal mapping of the interior of the unit circle onto the interior of a class of smooth curves

Outer and inner curved plates and shell shapes optimized by conformal mappin

The Journey of and to the Poor

An explication is presented of a carving hanging in Ravasi Hall of the DePaul Centre in Nairobi, Kenya. The panel is entitled “Saint Vincent on the Road of the Poor in Africa,” and the artist’s vision is presented first. Following the road in the carving, Vincent de Paul meets and cares for the many types of poor persons in Kenya; the viewer goes on a similar journey. W. Barry Moriarty believes the carving can also represent the trajectory of Vincent’s life, ending in service to the poor. In Moriarty’s interpretation, Vincent’s life is presented within the context of an epic journey

Virtues of the Congregation of the Mission

Even in its early days, the Congregation was noted for its virtues. Vincent de Paul led his confreres by example and stressed the acquisition of five virtues that would make them effective, Christlike missionaries. These virtues were simplicity, humility, gentleness, mortification, and zeal for souls. Barry Moriarty defines them and explains the necessity for each

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

The Personalization of Educational Media

What will happen to mass education in an era of personal communication

Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix.

The refinement of biomolecular crystallographic models relies on geometric restraints to help to address the paucity of experimental data typical in these experiments. Limitations in these restraints can degrade the quality of the resulting atomic models. Here, an integration of the full all-atom Amber molecular-dynamics force field into Phenix crystallographic refinement is presented, which enables more complete modeling of biomolecular chemistry. The advantages of the force field include a carefully derived set of torsion-angle potentials, an extensive and flexible set of atom types, Lennard-Jones treatment of nonbonded interactions and a full treatment of crystalline electrostatics. The new combined method was tested against conventional geometry restraints for over 22 000 protein structures. Structures refined with the new method show substantially improved model quality. On average, Ramachandran and rotamer scores are somewhat better, clashscores and MolProbity scores are significantly improved, and the modeling of electrostatics leads to structures that exhibit more, and more correct, hydrogen bonds than those refined using traditional geometry restraints. In general it is found that model improvements are greatest at lower resolutions, prompting plans to add the Amber target function to real-space refinement for use in electron cryo-microscopy. This work opens the door to the future development of more advanced applications such as Amber-based ensemble refinement, quantum-mechanical representation of active sites and improved geometric restraints for simulated annealing

L1551NE - Discovery of a Binary Companion

L1551NE is a very young (class 0 or I) low-mass protostar located close to the well-studied L1551 IRS5. We present here evidence, from 1.3mm continuum interferometric observations at ~1'' resolution, for a binary companion to L1551NE. The companion, whose 1.3mm flux density is ~1/3 that of the primary component, is located 1.43'' (~230 A.U. at 160pc) to the southeast. The millimeterwave emission from the primary component may have been just barely resolved, with deconvolved size ~0.82"x0.70" (~131x112 A.U.). The companion emission was unresolved (<100 A.U.). The pair is embedded within a flattened circum-binary envelope of size ~5.4'' x 2.3'' (~860 x 370 A.U.). The masses of the three components (i.e. from the cicumstellar material of the primary star and its companion, and the envelope) are approximately 0.044, 0.014 and 0.023 Mo respectively.Comment: 8 pages, 1 figur

Atomistic simulation of point defects and dislocations in bbc transition metals from first principles

Using multi-ion interatomic potentials derived from first-principles generalized pseudopotential theory, we have been studying point defects and dislocations in bcc transition metals, with molybdenum (Mo) as a prototype. For point defects in Mo, the calculated vacancy formation and activation energies are in excellent agreement with experimental results. The energetics of six self-interstitial configurations in Mo have also been investigated. The split dumb-bell is found to have the lowest formation energy, as is experimentally observed, but the corresponding migration energy is calculated to be 3--15 times higher than previous theoretical estimates. The atomic structure and energetics of screw dislocations in Mo are now being investigated. We have found that the ``easy`` core configuration has a lower formation energy than the ``hard`` one, consistent with previous theoretical studies. The former has a distinctive 3-fold symmetry with a spread out of the dislocation core along the directions, an effect which is driven by the strong angular forces present in these metals

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