Eccentricities of Double Neutron Star Binaries

Recent pulsar surveys have increased the number of observed double neutron stars (DNS) in our galaxy enough so that observable trends in their properties are starting to emerge. In particular, it has been noted that the majority of DNS have eccentricities less than 0.3, which are surprisingly low for binaries that survive a supernova explosion that we believe imparts a significant kick to the neutron star. To investigate this trend, we generate many different theoretical distributions of DNS eccentricities using Monte Carlo population synthesis methods. We determine which eccentricity distributions are most consistent with the observed sample of DNS binaries. In agreement with Chaurasia & Bailes (2005), assuming all double neutron stars are equally as probable to be discovered as binary pulsars, we find that highly eccentric, coalescing DNS are less likely to be observed because of their accelerated orbital evolution due to gravitational wave emission and possible early mergers. Based on our results for coalescing DNS, we also find that models with vanishingly or moderately small kicks (sigma < about 50 km/s) are inconsistent with the current observed sample of such DNS. We discuss the implications of our conclusions for DNS merger rate estimates of interest to ground-based gravitational-wave interferometers. We find that, although orbital evolution due to gravitational radiation affects the eccentricity distribution of the observed sample, the associated upwards correction factor to merger rate estimates is rather small (typically 10-40%).Comment: 9 pages, 8 figures, accepted by ApJ. Figures reduced and some content changed, references adde

Electron orbital valves made of multiply connected armchair carbon nanotubes with mirror-reflection symmetry: tight-binding study

Using the tight-binding method and the Landauer-B\"{u}ttiker conductance formalism, we demonstrate that a multiply connected armchair carbon nanotube with a mirror-reflection symmetry can sustain an electron current of the $\pi$-bonding orbital while suppress that of the $\pi$-antibonding orbital over a certain energy range. Accordingly, the system behaves like an electron orbital valve and may be used as a scanning tunneling microscope to probe pairing symmetry in d-wave superconductors or even orbital ordering in solids which is believed to occur in some transition-metal oxides.Comment: 4 figures, 12 page

Projection of plane-wave calculations into atomic orbitals

The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and practical link between the methods based on plane waves and the ones based on atomic orbitals. Given a candidate atomic basis, ({\it i}) its quality is evaluated by its projection into the plane-wave eigenfunctions, ({\it ii}) it is optimized by maximizing that projection, ({\it iii}) the associated tight-binding Hamiltonian and energy bands are obtained, and ({\it iv}) population analysis is performed in a natural way. The proposed method replaces the traditional trial-and-error procedures of finding appropriate atomic bases and the fitting of bands to obtain tight-binding Hamiltonians. Test calculations of some zincblende semiconductors are presented.Comment: RevTex. 4 pages. 3 uuencoded compressed (tared) postscript figs. To appear in Solid St. Commu

Formation, Manipulation, and Elasticity Measurement of a Nanometric Column of Water Molecules

Nanometer-sized columns of condensed water molecules are created by an atomic-resolution force microscope operated in ambient conditions. Unusual stepwise decrease of the force gradient associated with the thin water bridge in the tip-substrate gap is observed during its stretch, exhibiting regularity in step heights (~0.5 N/m) and plateau lengths (~1 nm). Such "quantized" elasticity is indicative of the atomic-scale stick-slip at the tip-water interface. A thermodynamic-instability-induced rupture of the water meniscus (5-nm long and 2.6-nm wide) is also found. This work opens a high-resolution study of the structure and the interface dynamics of a nanometric aqueous column.Comment: 4 pages, 3 figure

Ab initio Pseudopotential Plane-wave Calculations of the Electronic Structure of YBa_2Cu_3O_7

We present an ab initio pseudopotential local density functional calculation for stoichiometric high-Tc cuprate YBa_2Cu_3O_7 using the plane-wave basis set. We have overcome well-known difficulties in applying pseudopotential methods to first-row elements, transition metals, and rare-earth materials by carefully generating norm-conserving pseudopotentials with excellent transferability and employing an extremely efficient iterative diagonalization scheme optimized for our purpose. The self-consistent band structures, the total and site-projected densities of states, the partial charges and their symmetry-decompositions, and some characteristic charge densities near E_f are presented. We compare our results with various existing (F)LAPW and (F)LMTO calculations and establish that the ab initio pseudopotential method is competitive with other methods in studying the electronic structure of such complicated materials as high-Tc cuprates. [8 postscript files in uuencoded compressed form]Comment: 14 pages, RevTeX v3.0, 8 figures (appended in postscript file), SNUTP 94-8

Microscopic mechanism of fullerene fusion

Combining total energy calculations with a search of phase space, we investigate the microscopic fusion mechanism of C60 fullerenes. We find that the (2 + 2) cycloaddition reaction, a necessary precursor for fullerene fusion, may be accelerated inside a nanotube. Fusion occurs along the minimum energy path as a finite sequence of Stone-Wales transformations, determined by a graphical search program. Search of the phase space using the "string method" indicates that Stone-Wales transformations are multistep processes, and provides detailed information about the transition states and activation barriers associated with fusion.open413

Exact zero-point energy shift in the e⊗(n E)e\otimes (n~E), t⊗(n H)t\otimes (n~H) many modes dynamic Jahn-Teller systems at strong coupling

We find the exact semiclassical (strong coupling) zero-point energy shifts applicable to the $e\otimes (n E)$ and $t\otimes (n H)$ dynamic Jahn-Teller problems, for an arbitrary number $n$ of discrete vibrational modes simultaneously coupled to one single electronic level. We also obtain an analytical formula for the frequency of the resulting normal modes, which has an attractive and apparently general Slater-Koster form. The limits of validity of this approach are assessed by comparison with O'Brien's previous effective-mode approach, and with accurate numerical diagonalizations. Numerical values obtained for $t\otimes (n H)$ with $n =8$ and coupling constants appropriate to C$_{60}^-$ are used for this purpose, and are discussed in the context of fullerene.Comment: 20 pages, 4 ps figure

Cytogenetic and Array-CGH Characterization of a Complex de novo Rearrangement Involving Duplication and Deletion of 9p and Clinical Findings in a 4-Month-Old Female

Approximately 15 patients with partial trisomy 9p involving de novo duplications have been previously described. Here, we present clinical, cytogenetic, FISH and aCGH findings in a patient with a de novo complex rearrangement in the short arm of chromosome 9 involving an inverted duplication at 9p24→p21.3 and a deletion at 9pter→p24.2. FISH probes generated from BACs selected from the UCSC genome browser were utilized to verify this rearrangement. It is likely that some previously described duplications of 9p may also be products of complex chromosomal aberrations. This report in which FISH and aCGH were used to more comprehensively characterize the genomic rearrangement in a patient with clinical manifestations of 9p duplication syndrome underscores the importance of further characterizing cytogenetically detected rearrangements

Effect of Iodine Doping on Bi2_{2}Sr2_{2}Ca1_{1}Cu2_{2}Ox_{x}: Charge Transfer or Interlayer Coupling?

A comparative study has been made of iodine-intercalated Bi$_{2}$Sr$_{2}$Ca$_{1}$Cu$_{2}$O$_{x}$ single crystal and 1 atm O$_{2}$ annealed Bi$_{2}$Sr$_{2}$Ca$_{1}$Cu$_{1}$O$_{x}$ single crystal using AC susceptibility measurement, X-ray photoemission (XPS) and angle-resolved ultraviolet photoemission spectroscopy (ARUPS). AC susceptibility measurement indicates that O$_{2}$-doped samples studied have T$_{c}$ of 84 $^{o}$K, whereas T$_{c}$ of Iodine-doped samples studied are 80 $^{o}$K. XPS Cu 2p core level data establish that the hole concentration in the CuO$_{2}$ planes are essentially the same for these two kinds of samples. ARUPS measurements show that electronic structure of the normal states near the Fermi level has been strongly affected by iodine intercalation. We conclude that the dominant effect of iodine doping is to alter the interlayer coupling.Comment: LBL 9 pages, APS_Revtex. 5 Figures, available upon request. UW-Madison preprin

Supercell technique for total-energy calculations of finite charged and polar systems

We study the behavior of total-energy supercell calculations for dipolar molecules and charged clusters. Using a cutoff Coulomb interaction within the framework of a plane-wave basis set formalism, with all other aspects of the method (pseudopotentials, basis set, exchange-correlation functional) unchanged, we are able to assess directly the interaction effects present in the supercell technique. We find that the supercell method gives structures and energies in almost total agreement with the results of calculations for finite systems, even for molecules with large dipole moments. We also show that the performance of finite-grid calculations can be improved by allowing a degree of aliasing in the Hartree energy, and by using a reciprocal space definition of the cutoff Coulomb interaction