907 research outputs found
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
-bonding orbital while suppress that of the -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 , many modes dynamic Jahn-Teller systems at strong coupling
We find the exact semiclassical (strong coupling) zero-point energy shifts
applicable to the and dynamic Jahn-Teller
problems, for an arbitrary number 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 with and coupling
constants appropriate to C are used for this purpose, and are
discussed in the context of fullerene.Comment: 20 pages, 4 ps figure
Recommended from our members
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 BiSrCaCuO: Charge Transfer or Interlayer Coupling?
A comparative study has been made of iodine-intercalated
BiSrCaCuO single crystal and 1 atm O
annealed BiSrCaCuO single crystal using AC
susceptibility measurement, X-ray photoemission (XPS) and angle-resolved
ultraviolet photoemission spectroscopy (ARUPS). AC susceptibility measurement
indicates that O-doped samples studied have T of 84 K,
whereas T of Iodine-doped samples studied are 80 K. XPS Cu 2p core
level data establish that the hole concentration in the CuO 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
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